Entering Gaussian System, Link 0=/share/apps/gaussian/g16/g16 Initial command: /share/apps/gaussian/g16/l1.exe "/scratch/webmo-1704971/147311/Gau-2844633.inp" -scrdir="/scratch/webmo-1704971/147311/" Entering Link 1 = /share/apps/gaussian/g16/l1.exe PID= 2844634. Copyright (c) 1988-2019, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 16 program. It is based on the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.), the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.), the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. This software contains proprietary and confidential information, including trade secrets, belonging to Gaussian, Inc. This software is provided under written license and may be used, copied, transmitted, or stored only in accord with that written license. The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US Government is subject to restrictions as set forth in subparagraphs (a) and (c) of the Commercial Computer Software - Restricted Rights clause in FAR 52.227-19. Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. or will provide assistance to any competitor of Gaussian, Inc. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. access to this program. By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 16, Revision C.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2019. ****************************************** Gaussian 16: ES64L-G16RevC.01 3-Jul-2019 8-Sep-2024 ****************************************** ----------------------------------------------------------------- #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; ---------------------------- C9H11 2-propylbenzyl radical ---------------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 2 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 H 7 B7 2 A6 3 D5 0 H 6 B8 7 A7 2 D6 0 H 5 B9 4 A8 3 D7 0 H 4 B10 5 A9 6 D8 0 H 3 B11 4 A10 5 D9 0 C 1 B12 2 A11 3 D10 0 C 13 B13 1 A12 2 D11 0 H 14 B14 13 A13 1 D12 0 H 14 B15 13 A14 1 D13 0 H 14 B16 13 A15 1 D14 0 H 13 B17 1 A16 2 D15 0 H 1 B18 2 A17 3 D16 0 H 1 B19 2 A18 3 D17 0 Variables: B1 1.51816 B2 1.3995 B3 1.39679 B4 1.39489 B5 1.39715 B6 1.40255 B7 1.08758 B8 1.08717 B9 1.08684 B10 1.08711 B11 1.08803 B12 1.49903 B13 1.4925 B14 1.096 B15 1.09894 B16 1.10586 B17 1.08777 B18 1.10285 B19 1.10644 A1 121.21714 A2 120.98723 A3 120.10439 A4 119.49084 A5 118.33961 A6 119.17002 A7 119.77462 A8 120.27196 A9 120.13582 A10 119.67307 A11 114.27759 A12 121.26955 A13 111.76462 A14 111.62826 A15 112.24707 A16 117.80898 A17 109.59725 A18 108.67308 D1 179.51565 D2 0.06296 D3 0.03481 D4 -0.16422 D5 -179.63513 D6 179.90392 D7 179.97277 D8 -179.83471 D9 -179.91443 D10 125.01248 D11 164.01897 D12 -164.82339 D13 -43.64453 D14 75.40096 D15 -32.45396 D16 -112.46384 D17 1.235 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 1.518156 3 6 0 1.196867 0.000000 2.243493 4 6 0 1.191284 0.010122 3.640232 5 6 0 -0.018231 0.019119 4.335000 6 6 0 -1.220391 0.017176 3.623080 7 6 0 -1.209173 0.006897 2.228790 8 1 0 -2.147364 0.000938 1.678699 9 1 0 -2.168349 0.023982 4.155313 10 1 0 -0.025754 0.026559 5.421787 11 1 0 2.132838 0.008822 4.183622 12 1 0 2.144350 -0.008391 1.708694 13 6 0 -0.784014 -1.119169 -0.616337 14 6 0 -1.187546 -1.083058 -2.052796 15 1 0 -1.964364 -1.823469 -2.275431 16 1 0 -1.567039 -0.093151 -2.342155 17 1 0 -0.341025 -1.298296 -2.731026 18 1 0 -0.818086 -2.067680 -0.084909 19 1 0 -0.396988 0.960127 -0.369902 20 1 0 1.047956 -0.022592 -0.354247 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.518156 0.000000 3 C 2.542784 1.399501 0.000000 4 C 3.830215 2.433612 1.396786 0.000000 5 C 4.335080 2.816968 2.418931 1.394887 0.000000 6 C 3.823135 2.433178 2.783288 2.411747 1.397148 7 C 2.535676 1.402551 2.406094 2.784667 2.419630 8 H 2.725656 2.153357 3.391588 3.872243 3.404331 9 H 4.687103 3.414221 3.870440 3.398916 2.157619 10 H 5.421913 3.903806 3.405445 2.157636 1.086839 11 H 4.695931 3.413764 2.154117 1.087105 2.156413 12 H 2.741886 2.152815 1.088028 2.153953 3.402204 13 C 1.499029 2.534419 3.654457 4.826540 5.137885 14 C 2.607154 3.915990 5.031555 6.266135 6.586807 15 H 3.515871 4.644896 5.808536 6.950916 7.133046 16 H 2.819571 4.167288 5.355000 6.588473 6.855349 17 H 3.043086 4.456166 5.366240 6.682280 7.195033 18 H 2.225258 2.741237 3.709015 4.715030 4.952786 19 H 1.102846 2.155041 3.208122 4.416592 4.813008 20 H 1.106442 2.145837 2.602103 3.997184 4.809109 6 7 8 9 10 6 C 0.000000 7 C 1.394373 0.000000 8 H 2.154103 1.087583 0.000000 9 H 1.087171 2.152162 2.476810 0.000000 10 H 2.159303 3.405304 4.302626 2.488910 0.000000 11 H 3.399768 3.871745 4.959317 4.301306 2.488551 12 H 3.871306 3.393648 4.291828 4.958463 4.300887 13 C 4.410711 3.089262 2.894919 5.098218 6.192463 14 C 5.781624 4.418196 4.002544 6.381860 7.645287 15 H 6.223656 4.920219 4.358565 6.693964 8.150335 16 H 5.976318 4.586025 4.063607 6.526284 7.916356 17 H 6.548162 5.201634 4.939286 7.246323 8.265773 18 H 4.272898 3.132096 3.025967 4.917087 5.944521 19 H 4.184621 2.884699 2.860179 4.948904 5.878182 20 H 4.578877 3.430391 3.787280 5.539216 5.875189 11 12 13 14 15 11 H 0.000000 12 H 2.475014 0.000000 13 C 5.728874 3.900630 0.000000 14 C 7.149130 5.138604 1.492500 0.000000 15 H 7.865349 6.004106 2.154496 1.096002 0.000000 16 H 7.502350 5.494631 2.155061 1.098936 1.776603 17 H 7.459284 5.249006 2.168002 1.105858 1.765957 18 H 5.589290 4.029108 1.087773 2.231269 2.484346 19 H 5.295241 3.423008 2.129317 2.762557 3.719693 20 H 4.665856 2.336238 2.151113 3.001188 4.001022 16 17 18 19 20 16 H 0.000000 17 H 1.762585 0.000000 18 H 3.091093 2.796690 0.000000 19 H 2.523529 3.267800 3.070205 0.000000 20 H 3.285568 3.034101 2.781554 1.747525 0.000000 Stoichiometry C9H11(2) Framework group C1[X(C9H11)] Deg. of freedom 54 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 1.369350 -0.577396 0.470100 2 6 0 -0.096777 -0.261802 0.234157 3 6 0 -1.029250 -1.278971 0.000778 4 6 0 -2.378786 -0.983850 -0.205785 5 6 0 -2.816851 0.340268 -0.182995 6 6 0 -1.895975 1.365523 0.046923 7 6 0 -0.549869 1.065422 0.252384 8 1 0 0.164252 1.866995 0.426595 9 1 0 -2.227396 2.400762 0.066455 10 1 0 -3.866219 0.573031 -0.343827 11 1 0 -3.085834 -1.789610 -0.386428 12 1 0 -0.694985 -2.314174 -0.019864 13 6 0 2.309719 0.134791 -0.454878 14 6 0 3.768934 0.227536 -0.155468 15 1 0 4.262318 0.989081 -0.770156 16 1 0 3.951062 0.471161 0.900532 17 1 0 4.296989 -0.725055 -0.346908 18 1 0 1.966835 0.342278 -1.466130 19 1 0 1.637792 -0.331440 1.511116 20 1 0 1.512227 -1.672157 0.397314 --------------------------------------------------------------------- Rotational constants (GHZ): 4.5220722 0.8634440 0.7562570 Standard basis: 6-31G(d) (6D, 7F) AO basis set in the form of general basis input (Overlap normalization): 1 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 2 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 3 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 4 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 5 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 6 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 7 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 8 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 9 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 10 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 11 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 12 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 13 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 14 0 S 6 1.00 0.000000000000 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.000000000000 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.000000000000 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.8000000000D+00 0.1000000000D+01 **** 15 0 S 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 **** 16 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 17 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 18 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 19 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** 20 0 S 3 1.00 0.000000000000 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.000000000000 0.1612777588D+00 0.1000000000D+01 **** There are 157 symmetry adapted cartesian basis functions of A symmetry. There are 157 symmetry adapted basis functions of A symmetry. 157 basis functions, 296 primitive gaussians, 157 cartesian basis functions 33 alpha electrons 32 beta electrons nuclear repulsion energy 397.9688302862 Hartrees. NAtoms= 20 NActive= 20 NUniq= 20 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= 157 RedAO= T EigKep= 4.68D-04 NBF= 157 NBsUse= 157 1.00D-06 EigRej= -1.00D+00 NBFU= 157 ExpMin= 1.61D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Initial guess = 0.0000 = 0.0000 = 0.5000 = 0.7500 S= 0.5000 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(UB3LYP) = -349.527759815 A.U. after 17 cycles NFock= 17 Conv=0.44D-08 -V/T= 2.0101 = 0.0000 = 0.0000 = 0.5000 = 0.7540 S= 0.5020 = 0.000000000000E+00 Annihilation of the first spin contaminant: S**2 before annihilation 0.7540, after 0.7500 ********************************************************************** Population analysis using the SCF Density. ********************************************************************** Orbital symmetries: Alpha Orbitals: 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) 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) Beta Orbitals: 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) 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) The electronic state is 2-A. Alpha occ. eigenvalues -- -10.19051 -10.18892 -10.18846 -10.18425 -10.18410 Alpha occ. eigenvalues -- -10.18290 -10.18204 -10.18091 -10.17967 -0.84910 Alpha occ. eigenvalues -- -0.79193 -0.74210 -0.73638 -0.67949 -0.60015 Alpha occ. eigenvalues -- -0.58900 -0.56239 -0.50629 -0.45876 -0.45439 Alpha occ. eigenvalues -- -0.42974 -0.42261 -0.41325 -0.40975 -0.38687 Alpha occ. eigenvalues -- -0.37221 -0.35759 -0.34388 -0.33337 -0.32759 Alpha occ. eigenvalues -- -0.24347 -0.23747 -0.18312 Alpha virt. eigenvalues -- 0.00422 0.00744 0.09747 0.10956 0.12844 Alpha virt. eigenvalues -- 0.13472 0.15206 0.15802 0.17017 0.17504 Alpha virt. eigenvalues -- 0.18232 0.19024 0.19411 0.20013 0.25250 Alpha virt. eigenvalues -- 0.26232 0.29210 0.31188 0.32752 0.33327 Alpha virt. eigenvalues -- 0.35533 0.46869 0.50852 0.51643 0.53292 Alpha virt. eigenvalues -- 0.54631 0.55312 0.56837 0.57483 0.58136 Alpha virt. eigenvalues -- 0.59377 0.60225 0.61454 0.61840 0.62153 Alpha virt. eigenvalues -- 0.63462 0.65722 0.66413 0.68942 0.70777 Alpha virt. eigenvalues -- 0.72302 0.76885 0.79852 0.80387 0.83271 Alpha virt. eigenvalues -- 0.84266 0.84854 0.85810 0.86690 0.88812 Alpha virt. eigenvalues -- 0.89450 0.91693 0.92622 0.92949 0.95246 Alpha virt. eigenvalues -- 0.95418 0.97194 0.99244 1.03309 1.08838 Alpha virt. eigenvalues -- 1.11122 1.15259 1.17514 1.19654 1.22439 Alpha virt. eigenvalues -- 1.28185 1.32546 1.41483 1.43519 1.45343 Alpha virt. eigenvalues -- 1.46263 1.47392 1.49843 1.50131 1.52178 Alpha virt. eigenvalues -- 1.55548 1.74154 1.77034 1.79900 1.82380 Alpha virt. eigenvalues -- 1.82529 1.89573 1.90834 1.92576 1.92904 Alpha virt. eigenvalues -- 1.98167 1.99639 2.03732 2.06866 2.07231 Alpha virt. eigenvalues -- 2.12372 2.14079 2.15279 2.18204 2.21217 Alpha virt. eigenvalues -- 2.22106 2.27001 2.31042 2.31718 2.34117 Alpha virt. eigenvalues -- 2.37450 2.42654 2.48044 2.57158 2.59153 Alpha virt. eigenvalues -- 2.64706 2.68247 2.69311 2.73270 2.74630 Alpha virt. eigenvalues -- 2.76114 2.80659 2.90814 3.06923 3.41554 Alpha virt. eigenvalues -- 4.09407 4.10749 4.12473 4.15026 4.30293 Alpha virt. eigenvalues -- 4.34128 4.35372 4.46235 4.70470 Beta occ. eigenvalues -- -10.19026 -10.18939 -10.18422 -10.18406 -10.18291 Beta occ. eigenvalues -- -10.18208 -10.18089 -10.18057 -10.17518 -0.84842 Beta occ. eigenvalues -- -0.78175 -0.73697 -0.73466 -0.67773 -0.59861 Beta occ. eigenvalues -- -0.58339 -0.54830 -0.50543 -0.45529 -0.45197 Beta occ. eigenvalues -- -0.42728 -0.41405 -0.41189 -0.40234 -0.38324 Beta occ. eigenvalues -- -0.36726 -0.35496 -0.34118 -0.33222 -0.32630 Beta occ. eigenvalues -- -0.24333 -0.23607 Beta virt. eigenvalues -- -0.03516 0.00504 0.00859 0.09867 0.11105 Beta virt. eigenvalues -- 0.13094 0.13681 0.15630 0.16021 0.17129 Beta virt. eigenvalues -- 0.18027 0.18612 0.19352 0.19738 0.20238 Beta virt. eigenvalues -- 0.25487 0.27278 0.29837 0.31210 0.32832 Beta virt. eigenvalues -- 0.33579 0.35605 0.47190 0.50934 0.51918 Beta virt. eigenvalues -- 0.53597 0.55384 0.55467 0.57072 0.58281 Beta virt. eigenvalues -- 0.59267 0.60084 0.60305 0.61769 0.61944 Beta virt. eigenvalues -- 0.62783 0.63596 0.66021 0.66763 0.69762 Beta virt. eigenvalues -- 0.71616 0.72949 0.77431 0.80291 0.81111 Beta virt. eigenvalues -- 0.83522 0.84287 0.84942 0.86194 0.86813 Beta virt. eigenvalues -- 0.89318 0.90235 0.92006 0.92925 0.93510 Beta virt. eigenvalues -- 0.95335 0.95812 0.97455 0.99661 1.04236 Beta virt. eigenvalues -- 1.09024 1.11235 1.15484 1.17789 1.19945 Beta virt. eigenvalues -- 1.22777 1.28501 1.32868 1.41844 1.43606 Beta virt. eigenvalues -- 1.45481 1.46536 1.48762 1.50093 1.50318 Beta virt. eigenvalues -- 1.52195 1.56526 1.75343 1.77460 1.80103 Beta virt. eigenvalues -- 1.82680 1.82884 1.89644 1.91068 1.92706 Beta virt. eigenvalues -- 1.96916 1.98284 2.00035 2.04339 2.07548 Beta virt. eigenvalues -- 2.08089 2.13321 2.14136 2.15395 2.19365 Beta virt. eigenvalues -- 2.21379 2.23474 2.27274 2.31130 2.31735 Beta virt. eigenvalues -- 2.34420 2.38068 2.44350 2.49146 2.57477 Beta virt. eigenvalues -- 2.59242 2.64975 2.68566 2.70290 2.73354 Beta virt. eigenvalues -- 2.74641 2.76172 2.80843 2.90896 3.06967 Beta virt. eigenvalues -- 3.41570 4.09503 4.11626 4.12931 4.15326 Beta virt. eigenvalues -- 4.30335 4.34154 4.36292 4.46939 4.70498 Alpha Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -10.19051 -10.18892 -10.18846 -10.18425 -10.18410 1 1 C 1S 0.05872 0.30215 0.94418 0.00033 0.00007 2 2S 0.00303 0.01515 0.04793 -0.00012 -0.00004 3 2PX 0.00022 -0.00014 -0.00004 0.00003 -0.00001 4 2PY -0.00002 -0.00010 0.00008 -0.00001 -0.00002 5 2PZ 0.00005 0.00016 -0.00007 0.00001 -0.00001 6 3S 0.00004 -0.00344 -0.02172 0.00023 0.00004 7 3PX -0.00135 0.00195 0.00054 -0.00024 0.00014 8 3PY -0.00031 0.00081 -0.00117 0.00000 0.00036 9 3PZ 0.00038 -0.00083 0.00142 -0.00008 0.00009 10 4XX -0.00096 -0.00291 -0.00844 0.00000 -0.00002 11 4YY -0.00063 -0.00280 -0.00834 -0.00004 -0.00001 12 4ZZ -0.00056 -0.00289 -0.00833 -0.00005 -0.00001 13 4XY 0.00007 -0.00010 0.00003 -0.00000 -0.00003 14 4XZ -0.00005 0.00009 -0.00003 0.00001 -0.00001 15 4YZ 0.00008 0.00014 0.00002 -0.00000 -0.00001 16 2 C 1S 0.99024 -0.02157 -0.05481 -0.00574 -0.00061 17 2S 0.04959 -0.00119 -0.00290 -0.00026 -0.00001 18 2PX 0.00002 -0.00009 -0.00018 0.00008 0.00002 19 2PY 0.00004 0.00004 0.00009 0.00001 -0.00004 20 2PZ -0.00005 -0.00004 -0.00003 0.00002 -0.00001 21 3S -0.01889 0.00152 0.00569 -0.00324 -0.00134 22 3PX 0.00252 0.00114 0.00306 0.00147 0.00059 23 3PY -0.00074 -0.00181 -0.00115 -0.00023 -0.00070 24 3PZ 0.00050 0.00027 0.00021 0.00023 0.00006 25 4XX -0.00911 0.00012 0.00020 0.00006 0.00002 26 4YY -0.00896 0.00009 0.00038 0.00007 0.00003 27 4ZZ -0.00930 0.00016 0.00039 0.00006 0.00001 28 4XY 0.00007 0.00006 0.00009 0.00001 -0.00001 29 4XZ 0.00004 -0.00002 -0.00005 0.00000 -0.00000 30 4YZ 0.00005 -0.00002 0.00005 0.00000 0.00000 31 3 C 1S 0.03130 -0.00094 -0.00266 0.10681 -0.06004 32 2S 0.00100 -0.00005 -0.00017 0.00472 -0.00290 33 2PX -0.00024 -0.00001 -0.00010 0.00030 -0.00013 34 2PY -0.00030 0.00002 0.00004 -0.00011 0.00000 35 2PZ -0.00004 -0.00002 0.00002 0.00004 -0.00002 36 3S 0.00690 -0.00063 -0.00098 0.00597 -0.00057 37 3PX 0.00091 -0.00062 0.00025 -0.00220 0.00031 38 3PY 0.00326 -0.00025 -0.00037 0.00264 0.00008 39 3PZ 0.00028 -0.00012 -0.00003 -0.00017 0.00005 40 4XX -0.00067 -0.00001 -0.00005 -0.00134 0.00076 41 4YY -0.00064 0.00004 0.00011 -0.00118 0.00065 42 4ZZ -0.00051 -0.00001 -0.00004 -0.00124 0.00061 43 4XY -0.00014 -0.00000 0.00001 0.00000 -0.00001 44 4XZ -0.00005 -0.00000 0.00000 -0.00002 0.00003 45 4YZ -0.00005 -0.00001 0.00002 0.00001 0.00000 46 4 C 1S 0.00131 -0.00011 -0.00027 0.86173 -0.43145 47 2S 0.00012 -0.00006 -0.00017 0.04300 -0.02159 48 2PX -0.00003 -0.00002 -0.00002 0.00011 -0.00003 49 2PY 0.00001 -0.00000 -0.00002 0.00003 -0.00016 50 2PZ -0.00001 0.00000 -0.00001 0.00002 -0.00002 51 3S -0.00286 0.00046 0.00144 -0.01502 0.00539 52 3PX -0.00098 -0.00003 0.00077 -0.00257 -0.00000 53 3PY -0.00159 0.00060 0.00067 -0.00247 0.00057 54 3PZ -0.00024 0.00003 0.00021 -0.00062 0.00004 55 4XX 0.00007 -0.00000 0.00003 -0.00811 0.00402 56 4YY 0.00001 0.00001 -0.00001 -0.00809 0.00406 57 4ZZ 0.00002 -0.00002 -0.00006 -0.00831 0.00414 58 4XY 0.00001 -0.00000 -0.00001 -0.00004 0.00005 59 4XZ 0.00002 0.00000 0.00002 0.00004 -0.00002 60 4YZ -0.00000 0.00000 0.00000 0.00001 0.00000 61 5 C 1S -0.00041 0.00002 0.00003 0.27817 0.11111 62 2S -0.00023 0.00002 0.00003 0.01314 0.00528 63 2PX -0.00002 -0.00000 -0.00002 -0.00019 -0.00014 64 2PY 0.00001 -0.00001 0.00000 0.00017 -0.00032 65 2PZ -0.00000 0.00000 -0.00001 -0.00002 -0.00005 66 3S 0.00325 -0.00034 -0.00101 0.00517 0.00178 67 3PX 0.00178 -0.00031 -0.00071 0.00332 0.00169 68 3PY -0.00041 0.00061 0.00029 -0.00149 0.00171 69 3PZ 0.00027 -0.00003 -0.00007 0.00045 0.00041 70 4XX -0.00001 0.00000 -0.00001 -0.00289 -0.00118 71 4YY 0.00001 -0.00000 -0.00000 -0.00310 -0.00118 72 4ZZ -0.00008 0.00000 -0.00001 -0.00293 -0.00117 73 4XY 0.00000 0.00001 0.00000 -0.00002 -0.00011 74 4XZ 0.00001 -0.00000 0.00000 0.00001 -0.00001 75 4YZ 0.00001 -0.00000 0.00001 -0.00002 -0.00002 76 6 C 1S 0.00114 -0.00017 -0.00027 0.39106 0.88170 77 2S 0.00013 -0.00013 -0.00018 0.01948 0.04406 78 2PX -0.00004 0.00001 -0.00002 0.00009 0.00004 79 2PY 0.00000 -0.00001 0.00002 0.00004 -0.00017 80 2PZ 0.00000 -0.00001 0.00001 0.00002 -0.00000 81 3S -0.00302 0.00151 0.00172 -0.00822 -0.01403 82 3PX -0.00036 0.00119 0.00083 -0.00122 -0.00085 83 3PY 0.00191 -0.00006 -0.00080 0.00226 0.00263 84 3PZ 0.00003 0.00027 -0.00001 -0.00004 0.00005 85 4XX 0.00005 0.00004 0.00002 -0.00369 -0.00822 86 4YY 0.00003 -0.00002 -0.00001 -0.00367 -0.00832 87 4ZZ 0.00002 -0.00005 -0.00007 -0.00378 -0.00848 88 4XY -0.00003 -0.00002 -0.00002 0.00001 0.00002 89 4XZ -0.00000 0.00002 0.00001 0.00002 0.00005 90 4YZ -0.00000 -0.00000 0.00001 0.00001 0.00002 91 7 C 1S 0.02701 -0.00079 -0.00199 0.03119 0.07759 92 2S 0.00079 -0.00004 -0.00016 0.00114 0.00339 93 2PX -0.00005 -0.00008 -0.00007 0.00017 0.00030 94 2PY 0.00034 0.00004 -0.00002 0.00001 -0.00005 95 2PZ -0.00002 0.00003 -0.00006 0.00003 0.00005 96 3S 0.00722 -0.00040 -0.00073 0.00445 0.00506 97 3PX -0.00060 0.00135 0.00088 -0.00217 -0.00231 98 3PY -0.00339 -0.00141 -0.00031 -0.00131 -0.00093 99 3PZ -0.00027 -0.00004 0.00034 -0.00046 -0.00046 100 4XX -0.00049 -0.00006 0.00002 -0.00042 -0.00106 101 4YY -0.00068 0.00015 0.00015 -0.00038 -0.00095 102 4ZZ -0.00044 -0.00001 -0.00003 -0.00044 -0.00090 103 4XY 0.00010 0.00001 0.00003 0.00002 0.00008 104 4XZ -0.00000 -0.00001 0.00001 0.00001 -0.00003 105 4YZ 0.00001 0.00002 0.00001 0.00001 0.00001 106 8 H 1S -0.00001 -0.00015 -0.00004 0.00003 -0.00003 107 2S 0.00044 0.00061 -0.00011 0.00063 0.00049 108 9 H 1S -0.00007 -0.00003 0.00001 -0.00023 -0.00039 109 2S -0.00037 0.00006 0.00032 0.00027 0.00109 110 10 H 1S 0.00004 -0.00003 -0.00004 -0.00009 -0.00003 111 2S 0.00046 -0.00012 -0.00016 0.00125 0.00048 112 11 H 1S -0.00007 0.00002 0.00002 -0.00042 0.00016 113 2S -0.00036 0.00015 0.00034 0.00092 -0.00069 114 12 H 1S -0.00004 0.00003 -0.00003 -0.00001 0.00006 115 2S 0.00046 -0.00007 -0.00024 0.00082 0.00001 116 13 C 1S 0.00380 0.94513 -0.30292 0.00003 0.00005 117 2S 0.00006 0.04820 -0.01572 0.00000 -0.00001 118 2PX 0.00018 0.00007 -0.00000 0.00001 0.00003 119 2PY 0.00006 -0.00011 0.00014 -0.00001 -0.00000 120 2PZ 0.00001 0.00007 -0.00012 -0.00001 0.00000 121 3S 0.00012 -0.01215 0.00930 -0.00005 -0.00009 122 3PX -0.00193 -0.00094 -0.00151 0.00005 -0.00012 123 3PY -0.00056 0.00044 -0.00148 0.00003 0.00002 124 3PZ 0.00017 -0.00071 0.00182 0.00006 -0.00017 125 4XX -0.00008 -0.00949 0.00285 -0.00001 -0.00002 126 4YY -0.00009 -0.00915 0.00270 -0.00000 -0.00000 127 4ZZ -0.00001 -0.00942 0.00280 -0.00000 -0.00002 128 4XY 0.00001 -0.00014 -0.00003 -0.00000 -0.00000 129 4XZ -0.00005 0.00003 0.00014 -0.00000 0.00000 130 4YZ -0.00007 0.00022 0.00005 -0.00001 -0.00001 131 14 C 1S -0.00013 0.01372 -0.00501 -0.00002 0.00002 132 2S -0.00021 0.00044 -0.00027 -0.00001 -0.00001 133 2PX -0.00003 0.00026 0.00000 0.00000 -0.00001 134 2PY 0.00001 -0.00004 0.00005 0.00001 0.00000 135 2PZ -0.00002 0.00005 -0.00005 -0.00000 0.00000 136 3S 0.00183 0.00335 -0.00079 0.00000 0.00012 137 3PX -0.00075 -0.00183 0.00065 -0.00001 -0.00004 138 3PY -0.00000 0.00004 0.00005 -0.00006 -0.00001 139 3PZ -0.00018 -0.00017 -0.00004 0.00001 0.00001 140 4XX 0.00001 -0.00051 0.00010 0.00000 0.00001 141 4YY -0.00007 -0.00023 0.00000 -0.00000 0.00000 142 4ZZ -0.00006 -0.00025 0.00007 -0.00000 -0.00000 143 4XY -0.00001 0.00000 -0.00001 0.00000 0.00000 144 4XZ 0.00003 -0.00010 0.00006 0.00000 -0.00000 145 4YZ -0.00002 0.00002 -0.00006 0.00000 0.00000 146 15 H 1S -0.00007 -0.00011 -0.00001 0.00000 -0.00000 147 2S -0.00000 0.00005 0.00010 0.00002 0.00000 148 16 H 1S -0.00004 -0.00013 0.00005 -0.00000 0.00000 149 2S -0.00011 -0.00002 -0.00018 0.00001 -0.00002 150 17 H 1S -0.00006 -0.00016 0.00008 -0.00001 -0.00001 151 2S -0.00003 0.00041 -0.00032 -0.00003 0.00000 152 18 H 1S -0.00021 -0.00027 -0.00005 0.00001 -0.00002 153 2S 0.00018 0.00180 -0.00063 0.00004 -0.00009 154 19 H 1S -0.00016 -0.00005 0.00015 -0.00001 -0.00004 155 2S 0.00048 0.00094 0.00268 -0.00000 -0.00008 156 20 H 1S -0.00002 -0.00013 0.00019 -0.00004 0.00003 157 2S -0.00009 0.00129 0.00260 0.00004 0.00011 6 7 8 9 10 O O O O O Eigenvalues -- -10.18290 -10.18204 -10.18091 -10.17967 -0.84910 1 1 C 1S -0.00016 0.00089 0.00052 0.00055 -0.05345 2 2S -0.00001 -0.00011 -0.00006 -0.00001 0.09881 3 2PX -0.00005 -0.00004 -0.00004 -0.00010 -0.02741 4 2PY 0.00002 0.00003 -0.00000 -0.00000 0.00984 5 2PZ -0.00001 -0.00000 -0.00001 -0.00001 -0.00913 6 3S 0.00112 0.00180 0.00123 -0.00084 0.08313 7 3PX -0.00036 -0.00054 -0.00077 0.00103 -0.00833 8 3PY 0.00003 0.00034 -0.00014 -0.00026 0.00156 9 3PZ -0.00009 -0.00014 -0.00009 0.00017 -0.00195 10 4XX 0.00001 0.00005 0.00010 -0.00012 0.00368 11 4YY 0.00001 0.00001 0.00005 -0.00006 -0.00151 12 4ZZ 0.00002 -0.00005 -0.00001 -0.00000 -0.00188 13 4XY 0.00001 -0.00002 -0.00001 0.00004 -0.00112 14 4XZ -0.00000 0.00001 0.00003 -0.00002 0.00099 15 4YZ -0.00000 -0.00000 0.00002 -0.00003 -0.00041 16 2 C 1S 0.00371 -0.03117 -0.02752 0.00006 -0.10730 17 2S -0.00006 -0.00221 -0.00198 -0.00014 0.20682 18 2PX 0.00004 0.00031 0.00022 -0.00008 -0.03865 19 2PY -0.00002 0.00023 -0.00034 0.00002 0.00897 20 2PZ 0.00001 0.00007 -0.00000 0.00002 -0.00635 21 3S 0.00483 0.01001 0.00968 0.00084 0.11799 22 3PX -0.00341 -0.00588 -0.00497 0.00168 -0.00589 23 3PY 0.00089 -0.00088 0.00325 -0.00022 0.00558 24 3PZ -0.00052 -0.00107 -0.00056 0.00009 -0.00130 25 4XX -0.00004 -0.00000 0.00002 0.00002 0.00225 26 4YY 0.00001 -0.00011 -0.00017 -0.00007 0.00198 27 4ZZ -0.00012 0.00008 0.00007 -0.00007 -0.01121 28 4XY 0.00001 -0.00009 0.00003 -0.00001 -0.00028 29 4XZ 0.00002 -0.00002 -0.00001 -0.00000 0.00262 30 4YZ 0.00001 -0.00003 -0.00001 -0.00000 0.00106 31 3 C 1S -0.06443 0.98260 0.00609 0.00002 -0.09261 32 2S -0.00292 0.04944 0.00043 -0.00002 0.17590 33 2PX -0.00003 -0.00013 -0.00002 0.00000 -0.00681 34 2PY 0.00001 0.00022 -0.00002 0.00000 0.05632 35 2PZ -0.00001 -0.00000 -0.00000 -0.00000 0.00296 36 3S -0.00569 -0.02162 -0.00494 0.00047 0.11656 37 3PX 0.00144 0.00172 0.00123 -0.00021 0.00142 38 3PY -0.00332 -0.00575 -0.00286 0.00054 0.00948 39 3PZ 0.00000 -0.00013 -0.00003 0.00007 0.00121 40 4XX 0.00075 -0.00898 0.00000 -0.00002 0.00294 41 4YY 0.00068 -0.00917 0.00002 0.00003 0.00306 42 4ZZ 0.00072 -0.00935 -0.00001 -0.00000 -0.01011 43 4XY -0.00004 0.00004 0.00003 0.00001 0.00075 44 4XZ 0.00000 0.00008 0.00000 0.00000 0.00271 45 4YZ -0.00001 0.00002 0.00000 0.00001 0.00132 46 4 C 1S -0.19783 -0.13353 -0.00046 0.00001 -0.08386 47 2S -0.01053 -0.00738 -0.00031 -0.00001 0.16039 48 2PX 0.00004 -0.00035 -0.00002 -0.00001 0.03841 49 2PY -0.00035 -0.00003 -0.00002 -0.00001 0.03867 50 2PZ -0.00002 -0.00006 -0.00001 -0.00000 0.00929 51 3S 0.01293 0.01215 0.00486 -0.00037 0.09813 52 3PX 0.00237 0.00441 0.00189 -0.00007 0.00362 53 3PY 0.00494 0.00301 0.00203 -0.00011 0.00156 54 3PZ 0.00076 0.00097 0.00048 -0.00004 0.00063 55 4XX 0.00160 0.00081 -0.00001 0.00000 0.00269 56 4YY 0.00145 0.00097 -0.00001 -0.00000 0.00238 57 4ZZ 0.00169 0.00105 -0.00010 -0.00001 -0.00911 58 4XY 0.00013 0.00013 -0.00001 -0.00000 -0.00018 59 4XZ -0.00001 -0.00004 0.00002 -0.00000 0.00237 60 4YZ 0.00000 0.00001 0.00000 0.00000 0.00098 61 5 C 1S 0.94570 0.03857 0.01151 0.00003 -0.08164 62 2S 0.04768 0.00216 0.00077 -0.00002 0.15551 63 2PX 0.00031 0.00002 -0.00001 -0.00001 0.05269 64 2PY -0.00006 0.00000 -0.00002 0.00001 -0.01184 65 2PZ 0.00005 0.00000 -0.00000 -0.00000 0.00801 66 3S -0.02201 -0.00657 -0.00568 0.00023 0.10102 67 3PX -0.00617 -0.00326 -0.00305 0.00017 0.00768 68 3PY 0.00134 0.00096 0.00050 -0.00010 -0.00257 69 3PZ -0.00094 -0.00048 -0.00048 0.00003 0.00113 70 4XX -0.00874 -0.00028 -0.00001 -0.00000 0.00248 71 4YY -0.00853 -0.00023 -0.00003 0.00000 0.00258 72 4ZZ -0.00896 -0.00029 -0.00004 -0.00001 -0.00895 73 4XY 0.00005 -0.00004 0.00004 0.00000 -0.00023 74 4XZ 0.00005 0.00000 0.00001 0.00000 0.00229 75 4YZ 0.00005 -0.00000 0.00001 -0.00000 0.00096 76 6 C 1S -0.21793 -0.00251 -0.08869 -0.00004 -0.08378 77 2S -0.01155 -0.00042 -0.00513 0.00001 0.16029 78 2PX 0.00017 -0.00000 -0.00032 -0.00001 0.02015 79 2PY 0.00031 0.00003 0.00016 0.00001 -0.05145 80 2PZ 0.00005 0.00000 -0.00004 -0.00000 -0.00034 81 3S 0.01341 0.00522 0.01112 -0.00058 0.09668 82 3PX 0.00031 0.00093 0.00281 -0.00024 0.00042 83 3PY -0.00563 -0.00285 -0.00432 0.00014 -0.00391 84 3PZ -0.00035 -0.00005 0.00015 -0.00003 -0.00017 85 4XX 0.00167 0.00001 0.00035 -0.00000 0.00258 86 4YY 0.00174 -0.00001 0.00061 0.00000 0.00249 87 4ZZ 0.00187 -0.00008 0.00062 0.00000 -0.00909 88 4XY -0.00014 0.00000 -0.00000 0.00000 -0.00040 89 4XZ -0.00005 0.00002 -0.00006 -0.00000 0.00233 90 4YZ -0.00004 0.00001 -0.00000 -0.00000 0.00094 91 7 C 1S -0.02992 -0.00754 0.98844 0.00037 -0.09261 92 2S -0.00118 -0.00023 0.04973 -0.00005 0.17597 93 2PX -0.00005 -0.00001 -0.00019 0.00000 -0.02815 94 2PY 0.00001 0.00002 -0.00016 -0.00001 -0.04858 95 2PZ -0.00001 0.00000 -0.00006 0.00001 -0.00834 96 3S -0.00643 -0.00502 -0.02121 0.00075 0.11343 97 3PX 0.00270 0.00229 0.00365 -0.00057 -0.00578 98 3PY 0.00256 0.00219 0.00443 -0.00024 -0.00592 99 3PZ 0.00063 0.00054 0.00095 -0.00009 -0.00140 100 4XX 0.00045 0.00012 -0.00910 -0.00002 0.00237 101 4YY 0.00035 0.00017 -0.00918 0.00000 0.00363 102 4ZZ 0.00040 0.00013 -0.00943 -0.00004 -0.01015 103 4XY -0.00001 -0.00001 -0.00011 0.00001 -0.00082 104 4XZ 0.00001 -0.00000 0.00006 0.00000 0.00244 105 4YZ -0.00001 0.00000 0.00000 -0.00000 0.00100 106 8 H 1S -0.00009 -0.00009 -0.00047 0.00004 0.03608 107 2S -0.00082 -0.00072 0.00068 0.00013 0.00472 108 9 H 1S 0.00015 0.00007 0.00010 0.00000 0.03105 109 2S 0.00066 0.00069 0.00083 -0.00002 0.00259 110 10 H 1S -0.00047 -0.00010 -0.00008 0.00001 0.03009 111 2S 0.00051 -0.00059 -0.00058 0.00006 0.00363 112 11 H 1S 0.00014 0.00012 0.00007 0.00000 0.03105 113 2S 0.00067 0.00080 0.00066 -0.00001 0.00243 114 12 H 1S -0.00007 -0.00048 -0.00010 0.00001 0.03593 115 2S -0.00085 0.00066 -0.00068 0.00028 0.00528 116 13 C 1S -0.00002 -0.00004 0.00005 -0.01483 -0.02806 117 2S 0.00000 -0.00001 0.00004 -0.00098 0.05398 118 2PX -0.00001 -0.00001 0.00005 -0.00024 -0.01366 119 2PY 0.00001 0.00000 -0.00001 -0.00001 -0.00881 120 2PZ 0.00000 -0.00001 -0.00001 -0.00006 0.01146 121 3S -0.00009 -0.00014 -0.00032 0.00468 0.03822 122 3PX 0.00002 0.00009 -0.00040 0.00244 0.00288 123 3PY 0.00001 0.00007 -0.00003 0.00021 0.00013 124 3PZ -0.00004 -0.00005 0.00011 0.00041 0.00199 125 4XX 0.00001 0.00002 -0.00002 -0.00024 0.00071 126 4YY 0.00000 0.00001 0.00001 -0.00002 -0.00084 127 4ZZ 0.00000 -0.00001 0.00003 0.00002 -0.00007 128 4XY -0.00000 -0.00001 0.00000 -0.00002 0.00107 129 4XZ 0.00001 -0.00000 -0.00001 -0.00005 -0.00123 130 4YZ 0.00000 0.00000 -0.00001 -0.00000 -0.00109 131 14 C 1S -0.00003 -0.00002 -0.00040 0.99283 -0.01137 132 2S -0.00001 -0.00000 -0.00009 0.04989 0.02186 133 2PX 0.00000 0.00000 -0.00001 0.00000 -0.00914 134 2PY 0.00000 0.00001 0.00002 -0.00005 -0.00133 135 2PZ -0.00000 -0.00000 -0.00001 0.00002 -0.00044 136 3S 0.00004 -0.00002 0.00054 -0.01746 0.01077 137 3PX -0.00003 -0.00000 -0.00022 0.00104 0.00064 138 3PY -0.00001 -0.00006 -0.00011 0.00023 -0.00109 139 3PZ 0.00003 0.00003 -0.00005 0.00009 0.00087 140 4XX -0.00000 -0.00000 0.00001 -0.00916 0.00106 141 4YY -0.00000 0.00000 -0.00002 -0.00908 -0.00035 142 4ZZ -0.00000 -0.00000 -0.00002 -0.00907 -0.00026 143 4XY 0.00000 0.00000 0.00000 0.00001 0.00021 144 4XZ -0.00000 -0.00000 0.00001 -0.00002 0.00016 145 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00005 146 15 H 1S 0.00000 0.00001 -0.00001 -0.00005 0.00505 147 2S 0.00001 0.00003 0.00002 0.00262 0.00103 148 16 H 1S -0.00001 -0.00000 -0.00002 -0.00002 0.00582 149 2S -0.00001 -0.00000 -0.00001 0.00276 0.00144 150 17 H 1S -0.00000 -0.00001 -0.00003 -0.00001 0.00548 151 2S 0.00001 -0.00000 -0.00006 0.00275 0.00044 152 18 H 1S 0.00000 0.00002 -0.00006 -0.00011 0.01383 153 2S -0.00001 -0.00001 0.00020 0.00001 0.00228 154 19 H 1S -0.00001 -0.00002 -0.00002 -0.00003 0.02552 155 2S 0.00000 -0.00004 0.00009 -0.00018 0.00153 156 20 H 1S -0.00001 -0.00003 -0.00003 0.00000 0.02602 157 2S -0.00007 -0.00002 0.00003 -0.00023 0.00300 11 12 13 14 15 O O O O O Eigenvalues -- -0.79193 -0.74210 -0.73638 -0.67949 -0.60015 1 1 C 1S -0.11844 0.02373 -0.00087 -0.11772 0.01451 2 2S 0.22652 -0.04499 0.00137 0.23117 -0.02888 3 2PX 0.01510 0.08130 -0.01177 0.01891 0.04606 4 2PY 0.02240 0.01251 0.01427 -0.00830 0.07327 5 2PZ -0.02590 -0.01469 0.00416 0.00323 -0.02745 6 3S 0.17251 -0.04170 0.00231 0.21722 -0.03046 7 3PX 0.00692 0.02036 -0.00148 0.00350 0.01911 8 3PY 0.00021 0.00464 0.00334 -0.01014 0.03220 9 3PZ 0.00039 -0.00303 0.00069 0.00799 -0.00594 10 4XX 0.00032 -0.00313 -0.00000 -0.00722 -0.00199 11 4YY -0.00110 0.00103 -0.00011 0.00061 -0.00052 12 4ZZ -0.00061 0.00288 -0.00023 0.00059 0.00253 13 4XY 0.00177 0.00396 -0.00222 0.00021 -0.00144 14 4XZ -0.00178 -0.00464 0.00049 0.00069 -0.00355 15 4YZ -0.00149 -0.00191 -0.00001 0.00104 -0.00313 16 2 C 1S -0.05121 0.09821 -0.01611 0.02875 0.02148 17 2S 0.10073 -0.19530 0.03183 -0.05765 -0.04562 18 2PX 0.06872 0.01372 0.01917 0.13012 0.01995 19 2PY -0.00870 0.02242 0.11148 -0.02762 0.19693 20 2PZ 0.00763 0.00036 0.01187 0.01969 0.00884 21 3S 0.06138 -0.13525 0.02429 -0.05790 -0.02479 22 3PX 0.02435 -0.00523 0.00489 0.02937 -0.00339 23 3PY -0.00280 -0.00165 0.01840 -0.00035 0.03161 24 3PZ 0.00275 -0.00100 0.00227 0.00359 -0.00049 25 4XX 0.00451 0.00141 -0.00389 0.00812 -0.00186 26 4YY -0.00260 -0.00059 0.00404 -0.00642 0.00403 27 4ZZ -0.00458 0.00886 -0.00177 0.00290 0.00125 28 4XY -0.00163 -0.00191 -0.00915 -0.00367 -0.00530 29 4XZ 0.00123 -0.00206 -0.00105 0.00060 -0.00198 30 4YZ -0.00013 -0.00113 -0.00110 -0.00144 -0.00075 31 3 C 1S 0.00911 0.06479 0.10323 0.06271 0.06433 32 2S -0.01731 -0.12696 -0.20337 -0.12481 -0.13146 33 2PX 0.05415 -0.06188 0.06858 -0.00511 -0.14527 34 2PY -0.00189 -0.02790 0.00623 -0.02423 0.00778 35 2PZ 0.00866 -0.01309 0.01211 -0.00262 -0.02596 36 3S -0.00638 -0.10052 -0.15140 -0.09820 -0.11024 37 3PX 0.00973 -0.01517 0.00566 0.00573 -0.05999 38 3PY 0.00414 -0.00056 0.01142 0.00643 0.02087 39 3PZ 0.00160 -0.00320 0.00182 0.00133 -0.00993 40 4XX -0.00105 0.00157 -0.00491 0.00385 0.00652 41 4YY 0.00101 -0.00348 0.00228 -0.00343 -0.00408 42 4ZZ 0.00113 0.00604 0.00968 0.00576 0.00520 43 4XY 0.00411 -0.00511 0.00483 -0.00129 -0.00257 44 4XZ -0.00019 -0.00142 -0.00256 -0.00050 -0.00019 45 4YZ 0.00065 -0.00179 0.00015 -0.00102 -0.00143 46 4 C 1S 0.05787 -0.03226 0.11898 -0.01432 -0.09229 47 2S -0.11199 0.06314 -0.23476 0.02847 0.19058 48 2PX 0.00138 -0.05402 -0.04505 -0.07886 -0.06963 49 2PY -0.03660 0.05819 0.01594 0.05956 -0.01369 50 2PZ -0.00249 -0.00500 -0.00637 -0.00903 -0.01337 51 3S -0.07873 0.04847 -0.17740 0.03348 0.13969 52 3PX 0.00146 -0.01008 -0.00051 -0.01248 -0.04487 53 3PY -0.00576 0.00974 0.01202 0.00872 -0.02265 54 3PZ -0.00001 -0.00085 0.00081 -0.00134 -0.00917 55 4XX 0.00116 -0.00587 -0.00482 -0.00596 -0.00412 56 4YY -0.00365 0.00683 0.00193 0.00657 0.00035 57 4ZZ 0.00597 -0.00329 0.01108 -0.00138 -0.00719 58 4XY 0.00040 -0.00090 0.00047 -0.00157 0.00490 59 4XZ -0.00095 -0.00058 -0.00318 -0.00102 0.00098 60 4YZ -0.00076 0.00070 -0.00075 0.00040 0.00150 61 5 C 1S 0.07281 -0.09551 0.01581 -0.08307 0.02354 62 2S -0.14110 0.18810 -0.03122 0.16741 -0.04867 63 2PX -0.03099 0.02205 0.01986 -0.01503 -0.02051 64 2PY 0.00824 0.01333 0.11000 0.00256 -0.17864 65 2PZ -0.00463 0.00465 0.01139 -0.00240 -0.01671 66 3S -0.09432 0.13695 -0.02289 0.12927 -0.03770 67 3PX -0.00035 -0.00641 0.00542 -0.02229 0.00447 68 3PY -0.00061 0.00547 0.01754 0.00378 -0.04380 69 3PZ -0.00015 -0.00081 0.00222 -0.00348 -0.00267 70 4XX -0.00121 0.00130 0.00343 0.00014 -0.00336 71 4YY -0.00197 0.00120 -0.00404 0.00007 0.00442 72 4ZZ 0.00743 -0.00900 0.00175 -0.00707 0.00158 73 4XY 0.00013 0.00163 0.00943 -0.00024 -0.00712 74 4XZ -0.00174 0.00220 0.00106 0.00144 -0.00157 75 4YZ -0.00079 0.00117 0.00112 0.00059 -0.00098 76 6 C 1S 0.05505 -0.06894 -0.10360 -0.01340 0.07184 77 2S -0.10620 0.13539 0.20461 0.02670 -0.14830 78 2PX 0.01760 -0.05106 0.06969 -0.09491 0.12967 79 2PY 0.03250 -0.03034 0.00496 -0.02090 -0.00733 80 2PZ 0.00521 -0.01095 0.01219 -0.01759 0.02069 81 3S -0.07716 0.10396 0.15241 0.03084 -0.11215 82 3PX 0.00119 -0.00801 0.00805 -0.01713 0.04614 83 3PY 0.00489 0.00019 0.01156 -0.00449 -0.02395 84 3PZ 0.00057 -0.00116 0.00215 -0.00340 0.00607 85 4XX 0.00034 -0.00169 0.00471 -0.00294 0.00691 86 4YY -0.00267 0.00349 -0.00220 0.00343 -0.00428 87 4ZZ 0.00567 -0.00655 -0.00969 -0.00106 0.00569 88 4XY -0.00217 0.00458 -0.00487 0.00637 -0.00224 89 4XZ -0.00127 0.00133 0.00253 0.00010 0.00001 90 4YZ -0.00108 0.00165 -0.00016 0.00147 -0.00120 91 7 C 1S 0.00387 0.02372 -0.11950 0.06226 -0.08928 92 2S -0.00746 -0.04659 0.23521 -0.12375 0.18271 93 2PX 0.05194 -0.05898 -0.04482 0.00576 0.08957 94 2PY -0.02162 0.05860 0.01573 0.02361 0.00190 95 2PZ 0.00631 -0.00663 -0.00633 0.00240 0.01241 96 3S 0.00245 -0.03437 0.17676 -0.10135 0.15070 97 3PX 0.00478 -0.00775 0.00136 -0.00038 0.05255 98 3PY -0.00581 0.00541 0.01117 -0.00272 0.01698 99 3PZ 0.00004 -0.00176 0.00127 0.00019 0.00834 100 4XX -0.00280 0.00613 0.00499 0.00344 -0.00428 101 4YY 0.00322 -0.00708 -0.00198 -0.00323 0.00095 102 4ZZ 0.00044 0.00244 -0.01112 0.00570 -0.00710 103 4XY -0.00190 0.00120 -0.00058 -0.00198 0.00445 104 4XZ -0.00093 0.00068 0.00321 -0.00064 0.00066 105 4YZ -0.00004 -0.00047 0.00065 -0.00109 0.00163 106 8 H 1S 0.00524 -0.01372 0.07142 -0.03486 0.09900 107 2S 0.00411 -0.00127 0.01239 -0.00640 0.03239 108 9 H 1S -0.02529 0.04020 0.06230 0.01290 -0.07790 109 2S -0.00461 0.00783 0.01141 0.00410 -0.02604 110 10 H 1S -0.03398 0.05563 -0.00941 0.06491 -0.02589 111 2S -0.00479 0.00978 -0.00153 0.01423 -0.00832 112 11 H 1S -0.02676 0.01860 -0.07167 0.01344 0.09946 113 2S -0.00459 0.00425 -0.01350 0.00378 0.03333 114 12 H 1S 0.00096 -0.03954 -0.06257 -0.03540 -0.07456 115 2S 0.00378 -0.00775 -0.01160 -0.00429 -0.02539 116 13 C 1S -0.11770 -0.07945 0.01393 -0.01479 -0.04753 117 2S 0.22852 0.15634 -0.02776 0.02930 0.09624 118 2PX -0.00182 0.07411 -0.01791 -0.12119 -0.03725 119 2PY -0.02622 0.00520 0.00185 -0.04631 0.01005 120 2PZ 0.03499 0.00201 0.00007 0.03570 -0.01717 121 3S 0.17969 0.12864 -0.02188 0.02843 0.09675 122 3PX 0.00032 0.01041 -0.00307 -0.02733 -0.01717 123 3PY -0.00353 0.00095 0.00190 -0.01126 0.00688 124 3PZ 0.00321 -0.00442 0.00082 0.00750 -0.01234 125 4XX 0.00174 0.00254 -0.00042 -0.00715 -0.00479 126 4YY -0.00441 -0.00431 0.00056 0.00208 -0.00228 127 4ZZ -0.00109 -0.00258 0.00045 0.00376 0.00111 128 4XY 0.00265 -0.00087 -0.00026 0.00334 -0.00161 129 4XZ -0.00144 0.00416 -0.00091 -0.00711 0.00027 130 4YZ -0.00296 0.00051 0.00008 -0.00427 -0.00003 131 14 C 1S -0.08053 -0.11230 0.02330 0.11097 0.03348 132 2S 0.15359 0.21486 -0.04449 -0.21514 -0.06635 133 2PX -0.04514 -0.03055 0.00534 -0.02687 -0.04814 134 2PY -0.00657 -0.00292 0.00098 -0.00744 0.00088 135 2PZ -0.00403 -0.00704 0.00141 0.00566 -0.01216 136 3S 0.11670 0.18757 -0.03984 -0.20628 -0.06691 137 3PX -0.00287 -0.00155 0.00046 -0.01366 -0.01792 138 3PY -0.00217 -0.00161 0.00020 -0.00106 0.00049 139 3PZ 0.00027 0.00017 -0.00024 0.00023 -0.00446 140 4XX 0.00422 0.00141 -0.00016 0.00477 0.00471 141 4YY -0.00170 -0.00109 0.00021 -0.00130 -0.00199 142 4ZZ -0.00118 -0.00056 0.00011 -0.00141 -0.00171 143 4XY 0.00087 0.00031 -0.00008 0.00095 0.00046 144 4XZ 0.00083 0.00055 -0.00010 0.00066 0.00167 145 4YZ -0.00003 -0.00026 0.00006 0.00058 0.00009 146 15 H 1S 0.04074 0.06704 -0.01403 -0.08445 -0.03222 147 2S 0.00675 0.01493 -0.00328 -0.02502 -0.01307 148 16 H 1S 0.04432 0.06672 -0.01393 -0.07610 -0.03478 149 2S 0.00936 0.01403 -0.00288 -0.01955 -0.01436 150 17 H 1S 0.04330 0.06761 -0.01445 -0.07993 -0.03631 151 2S 0.00688 0.01420 -0.00313 -0.02224 -0.01499 152 18 H 1S 0.05786 0.04110 -0.00639 0.00818 0.04967 153 2S 0.00687 0.00546 -0.00088 0.00033 0.01591 154 19 H 1S 0.06554 -0.01126 0.00225 0.08228 -0.01065 155 2S 0.01014 0.00021 0.00045 0.01993 -0.00583 156 20 H 1S 0.06493 -0.01607 -0.00653 0.08517 -0.04339 157 2S 0.01025 -0.00404 -0.00423 0.02054 -0.02096 16 17 18 19 20 O O O O O Eigenvalues -- -0.58900 -0.56239 -0.50629 -0.45876 -0.45439 1 1 C 1S 0.00308 0.07135 -0.02497 0.00664 0.00630 2 2S -0.00593 -0.14386 0.04922 -0.01283 -0.01341 3 2PX 0.11108 -0.01068 0.11764 0.11893 0.13427 4 2PY 0.00201 0.07200 -0.03049 0.18301 -0.14128 5 2PZ -0.05516 -0.12270 0.05051 0.09887 -0.00148 6 3S 0.00213 -0.17225 0.07724 -0.03538 -0.03304 7 3PX 0.02337 -0.00440 0.04633 0.07165 0.04923 8 3PY -0.00172 0.02518 -0.01407 0.10067 -0.06876 9 3PZ -0.01721 -0.04331 0.02008 0.04838 -0.00315 10 4XX -0.00507 0.00797 -0.00516 -0.00108 -0.00463 11 4YY 0.00168 -0.00305 0.00163 -0.00615 0.00786 12 4ZZ 0.00325 -0.00025 0.00331 0.00666 -0.00111 13 4XY 0.00609 0.00251 0.00182 0.00258 0.00429 14 4XZ -0.00546 -0.00547 -0.00060 -0.00060 -0.00229 15 4YZ -0.00314 -0.00705 0.00195 0.00050 0.00202 16 2 C 1S 0.08100 -0.05270 0.01804 0.02053 0.05200 17 2S -0.17012 0.11140 -0.04003 -0.04359 -0.10935 18 2PX -0.03221 -0.09208 -0.11844 -0.03574 -0.11195 19 2PY -0.06593 -0.00157 0.02345 0.15546 -0.08853 20 2PZ -0.02585 -0.04520 -0.00709 0.03116 -0.02571 21 3S -0.12617 0.08446 -0.04531 -0.04311 -0.14935 22 3PX -0.03946 0.00009 -0.04861 0.00408 -0.01129 23 3PY -0.00735 -0.00733 0.01034 -0.00905 -0.01042 24 3PZ -0.01298 -0.01086 -0.00290 0.01417 -0.00257 25 4XX 0.00473 -0.00507 0.00764 -0.00113 -0.00444 26 4YY 0.00302 -0.00196 -0.00572 0.00396 0.01221 27 4ZZ 0.00589 -0.00422 0.00083 0.00195 0.00315 28 4XY 0.00416 0.00474 -0.00396 0.00731 0.00066 29 4XZ -0.00160 -0.00276 0.00194 0.00157 -0.00148 30 4YZ 0.00042 0.00090 -0.00114 0.00137 0.00103 31 3 C 1S -0.06788 -0.00757 0.01714 -0.04038 -0.03578 32 2S 0.14058 0.01410 -0.03511 0.08659 0.07013 33 2PX -0.08114 0.09743 -0.09344 -0.11831 0.13410 34 2PY -0.08985 0.09237 0.16762 -0.08980 -0.07727 35 2PZ -0.02389 0.01601 0.00013 -0.01667 0.01694 36 3S 0.10469 0.02592 -0.05509 0.08450 0.12112 37 3PX -0.00826 0.01536 -0.02639 -0.07408 0.05796 38 3PY -0.05071 0.03099 0.06075 -0.03884 -0.00336 39 3PZ -0.00681 0.00135 0.00193 -0.01052 0.00972 40 4XX -0.00126 -0.00526 0.00026 -0.00665 -0.00915 41 4YY -0.00126 0.00435 -0.00333 0.00394 0.00824 42 4ZZ -0.00540 -0.00112 0.00094 -0.00250 -0.00362 43 4XY -0.00625 0.00446 -0.00207 -0.00622 -0.00637 44 4XZ -0.00001 -0.00116 -0.00006 -0.00083 -0.00159 45 4YZ -0.00097 0.00067 -0.00048 0.00004 -0.00006 46 4 C 1S -0.01020 0.05140 -0.00919 0.03044 0.04235 47 2S 0.02063 -0.10621 0.01892 -0.06268 -0.08688 48 2PX 0.11881 0.01263 0.12675 0.16667 -0.02815 49 2PY -0.12471 0.09875 0.12606 -0.05386 0.15508 50 2PZ 0.01006 0.00753 0.03200 0.02865 0.00681 51 3S 0.02312 -0.10244 0.01101 -0.09068 -0.11938 52 3PX 0.03278 0.00770 0.04499 0.04049 -0.00628 53 3PY -0.03537 0.04393 0.03921 -0.00257 0.03607 54 3PZ 0.00295 0.00435 0.01082 0.00842 0.00154 55 4XX 0.00600 0.00003 -0.00316 0.00447 -0.00007 56 4YY -0.00634 0.00174 -0.00178 -0.00301 0.00238 57 4ZZ -0.00072 0.00372 -0.00115 0.00229 0.00294 58 4XY 0.00119 -0.00317 0.00349 -0.00769 -0.01198 59 4XZ 0.00134 -0.00121 -0.00005 0.00014 -0.00156 60 4YZ -0.00026 -0.00076 0.00054 -0.00169 -0.00212 61 5 C 1S 0.07482 -0.04497 0.02151 -0.02417 -0.04696 62 2S -0.15463 0.09329 -0.04444 0.04902 0.09603 63 2PX 0.06361 -0.00745 0.22594 -0.04141 -0.10515 64 2PY 0.06339 0.04119 -0.05434 0.16591 -0.09724 65 2PZ 0.01498 0.00079 0.03504 0.00802 -0.02476 66 3S -0.11975 0.07000 -0.05450 0.06694 0.13343 67 3PX 0.04198 -0.01555 0.07818 -0.00579 -0.03011 68 3PY 0.01061 0.01599 -0.01838 0.06599 -0.04049 69 3PZ 0.00750 -0.00231 0.01235 0.00548 -0.00788 70 4XX -0.00108 0.00299 -0.00259 0.00536 0.00784 71 4YY 0.00441 -0.00618 -0.00049 -0.00643 -0.01083 72 4ZZ 0.00585 -0.00352 0.00114 -0.00178 -0.00361 73 4XY 0.00508 -0.00098 0.00049 -0.00116 -0.00622 74 4XZ -0.00108 0.00110 -0.00065 0.00158 0.00184 75 4YZ 0.00073 -0.00038 -0.00007 -0.00061 -0.00164 76 6 C 1S -0.07351 0.02621 -0.00801 0.02013 0.04829 77 2S 0.15151 -0.05404 0.01621 -0.04087 -0.09933 78 2PX 0.06702 -0.08527 0.07380 -0.14945 0.16254 79 2PY 0.08440 -0.08400 -0.16886 -0.05599 -0.10188 80 2PZ 0.01632 -0.02304 0.00182 -0.02454 0.02024 81 3S 0.12472 -0.05780 0.01033 -0.06389 -0.13324 82 3PX 0.01193 -0.02511 0.02942 -0.04116 0.04836 83 3PY 0.04536 -0.02986 -0.05604 -0.00393 -0.03273 84 3PZ 0.00548 -0.00609 0.00134 -0.00569 0.00556 85 4XX -0.00264 -0.00076 -0.00480 0.00248 0.01169 86 4YY -0.00019 0.00120 0.00013 -0.00115 -0.01029 87 4ZZ -0.00593 0.00193 -0.00125 0.00180 0.00402 88 4XY -0.00561 0.00349 -0.00179 0.00494 0.00665 89 4XZ 0.00014 -0.00046 -0.00073 0.00078 0.00203 90 4YZ -0.00041 0.00061 -0.00027 0.00040 -0.00007 91 7 C 1S -0.00023 0.02773 0.01504 -0.00997 -0.05637 92 2S 0.00118 -0.05939 -0.03033 0.01649 0.11732 93 2PX -0.11893 0.03286 -0.15398 0.15383 -0.02826 94 2PY 0.12980 -0.12628 -0.11068 -0.06205 0.15618 95 2PZ -0.01568 -0.01307 -0.02907 0.03277 0.00700 96 3S -0.00929 -0.03788 -0.05408 0.07148 0.14204 97 3PX -0.02576 -0.00645 -0.04712 0.05334 -0.01946 98 3PY 0.03721 -0.04750 -0.04287 -0.05132 0.05239 99 3PZ -0.00475 -0.01129 -0.00824 0.01206 0.00175 100 4XX 0.00713 -0.00430 0.00071 -0.00248 -0.00101 101 4YY -0.00737 0.00506 -0.00398 0.00345 -0.00280 102 4ZZ 0.00037 0.00168 0.00079 -0.00141 -0.00375 103 4XY 0.00065 -0.00075 0.00017 0.00397 0.01413 104 4XZ 0.00096 -0.00197 0.00023 0.00042 0.00169 105 4YZ -0.00014 0.00090 -0.00065 0.00037 0.00247 106 8 H 1S 0.00815 -0.05627 -0.10993 0.04796 0.11517 107 2S 0.00563 -0.02122 -0.06673 0.04380 0.07945 108 9 H 1S 0.08682 -0.04763 -0.08648 -0.02649 -0.13668 109 2S 0.03176 -0.02246 -0.05796 -0.01910 -0.09678 110 10 H 1S -0.08363 0.04633 -0.14153 0.06842 0.09951 111 2S -0.02939 0.01769 -0.08999 0.04973 0.06941 112 11 H 1S 0.01428 -0.08240 -0.08432 -0.07431 -0.10261 113 2S 0.00625 -0.03671 -0.05724 -0.04958 -0.07364 114 12 H 1S 0.08268 -0.02229 -0.11244 0.06831 0.10827 115 2S 0.02911 -0.01503 -0.06837 0.04249 0.08576 116 13 C 1S -0.08404 -0.09788 0.00355 -0.01055 -0.00799 117 2S 0.17144 0.20125 -0.00484 0.02508 0.01675 118 2PX -0.04472 -0.02429 0.01297 0.01653 0.06415 119 2PY -0.01531 0.04097 -0.04629 0.02673 -0.06610 120 2PZ -0.03243 -0.12316 0.07975 0.18058 0.03451 121 3S 0.17863 0.21852 -0.02036 0.00789 0.02554 122 3PX -0.01423 -0.01212 0.00884 -0.00677 0.02935 123 3PY -0.00512 0.01212 -0.01680 0.02405 -0.02984 124 3PZ -0.01325 -0.04176 0.02088 0.05666 0.01842 125 4XX -0.00984 -0.00767 -0.00195 -0.00178 -0.00301 126 4YY -0.00190 -0.00503 0.00169 -0.00259 0.00310 127 4ZZ 0.00227 0.00181 -0.00023 -0.00096 -0.00229 128 4XY -0.00061 -0.00307 0.00095 -0.00126 -0.00069 129 4XZ 0.00104 0.00545 -0.00178 -0.00183 0.00137 130 4YZ -0.00172 0.00149 -0.00173 0.00150 -0.00159 131 14 C 1S 0.05779 0.04207 0.00436 0.00467 0.00519 132 2S -0.11433 -0.08351 -0.00900 -0.01044 -0.00941 133 2PX -0.09508 -0.10271 -0.02176 -0.08739 -0.06409 134 2PY -0.00800 0.00946 -0.02452 0.01366 -0.06534 135 2PZ -0.02417 -0.05984 0.03614 0.12807 0.01457 136 3S -0.12609 -0.09446 -0.01077 -0.00067 -0.02333 137 3PX -0.03265 -0.03342 -0.01112 -0.04295 -0.02459 138 3PY -0.00230 0.00556 -0.01124 0.00333 -0.02951 139 3PZ -0.00752 -0.02271 0.01813 0.05635 0.00894 140 4XX 0.00837 0.00841 0.00090 0.00273 0.00230 141 4YY -0.00359 -0.00361 -0.00102 -0.00646 -0.00096 142 4ZZ -0.00345 -0.00390 -0.00010 0.00273 -0.00234 143 4XY 0.00128 0.00070 0.00036 0.00023 -0.00027 144 4XZ 0.00326 0.00484 -0.00072 -0.00001 0.00135 145 4YZ 0.00030 -0.00068 0.00145 0.00322 0.00238 146 15 H 1S -0.06114 -0.03748 -0.02843 -0.06315 -0.05254 147 2S -0.02492 -0.01722 -0.01591 -0.04449 -0.03562 148 16 H 1S -0.06436 -0.07071 0.01057 0.06174 -0.01145 149 2S -0.02729 -0.03695 0.00801 0.04801 -0.00734 150 17 H 1S -0.06203 -0.05800 -0.00161 -0.05017 0.00909 151 2S -0.02630 -0.02904 0.00049 -0.03813 0.00957 152 18 H 1S 0.08346 0.13964 -0.04670 -0.07955 -0.02740 153 2S 0.03247 0.06463 -0.03212 -0.06537 -0.01649 154 19 H 1S -0.01486 -0.10882 0.05892 0.09044 -0.00583 155 2S -0.00784 -0.05431 0.03282 0.06677 0.00102 156 20 H 1S 0.00656 -0.09135 0.04102 -0.10654 0.09330 157 2S 0.00489 -0.04359 0.01493 -0.06622 0.07783 21 22 23 24 25 O O O O O Eigenvalues -- -0.42974 -0.42261 -0.41325 -0.40975 -0.38687 1 1 C 1S 0.02090 0.00139 -0.00488 -0.00228 -0.01237 2 2S -0.04059 -0.00799 0.01198 0.00751 0.02488 3 2PX 0.09277 -0.05953 -0.02578 -0.05081 0.11816 4 2PY 0.03605 0.03914 0.06579 0.10450 -0.19318 5 2PZ -0.00920 0.22004 -0.12236 -0.15407 -0.09826 6 3S -0.09265 0.02645 0.01593 0.00955 0.03049 7 3PX 0.06149 -0.04480 -0.02070 -0.03488 0.06776 8 3PY 0.00273 0.00953 0.01466 0.04106 -0.08484 9 3PZ -0.00211 0.08878 -0.06027 -0.07371 -0.04672 10 4XX 0.00682 -0.00020 0.00230 0.00366 -0.01068 11 4YY -0.00314 -0.00387 -0.00257 -0.00286 0.01477 12 4ZZ -0.00104 0.00656 -0.00331 -0.00524 -0.00440 13 4XY 0.00666 0.00417 0.00304 0.00333 -0.00240 14 4XZ -0.00190 0.00544 -0.00026 0.00027 -0.00101 15 4YZ 0.00007 0.00435 -0.00341 -0.00521 -0.00166 16 2 C 1S -0.04190 0.00394 0.00578 0.00373 0.01049 17 2S 0.09027 -0.00681 -0.01262 -0.00719 -0.02357 18 2PX -0.16143 -0.00700 0.05657 0.11518 -0.12433 19 2PY -0.07794 -0.11890 -0.13109 -0.02889 0.07740 20 2PZ -0.03136 0.07822 -0.05784 -0.05814 -0.09279 21 3S 0.13425 -0.03363 -0.02422 -0.02914 -0.01354 22 3PX -0.01056 -0.01899 0.02487 0.02310 -0.02886 23 3PY -0.02312 -0.01042 0.02118 -0.02863 0.01673 24 3PZ -0.00060 0.03808 -0.02394 -0.03741 -0.04493 25 4XX -0.00282 0.00046 0.00595 0.00080 0.00114 26 4YY -0.00285 -0.00196 -0.00494 0.00038 0.00188 27 4ZZ -0.00270 0.00196 0.00002 -0.00062 -0.00010 28 4XY 0.00316 0.00410 0.01124 -0.00316 -0.00449 29 4XZ 0.00009 0.00422 -0.00020 -0.00270 -0.00110 30 4YZ 0.00077 -0.00011 0.00142 -0.00060 -0.00077 31 3 C 1S 0.00664 -0.00567 -0.01913 0.01210 -0.00504 32 2S -0.01386 0.01142 0.04183 -0.02821 0.01355 33 2PX 0.13821 0.06373 -0.04705 0.12440 -0.11752 34 2PY 0.15925 0.03774 0.16367 -0.16483 0.11467 35 2PZ 0.03642 0.05396 -0.02399 -0.02928 -0.05893 36 3S 0.01469 0.02758 0.08611 -0.05295 0.01227 37 3PX 0.01962 0.03917 0.02341 0.04568 -0.05308 38 3PY 0.05692 0.01444 0.06434 -0.05440 0.03819 39 3PZ 0.00828 0.03052 -0.00633 -0.01647 -0.03308 40 4XX -0.00057 -0.00002 0.00467 -0.00142 0.00038 41 4YY -0.00047 -0.00124 -0.00916 0.00738 -0.00452 42 4ZZ 0.00080 0.00031 -0.00133 -0.00031 -0.00040 43 4XY 0.01192 -0.00090 -0.00327 -0.00234 0.00441 44 4XZ 0.00066 0.00150 -0.00001 -0.00156 -0.00029 45 4YZ 0.00200 0.00191 -0.00270 -0.00173 -0.00189 46 4 C 1S -0.00728 -0.00267 -0.01831 0.00756 0.00442 47 2S 0.01347 0.00699 0.04342 -0.01748 -0.01024 48 2PX -0.16071 -0.03486 0.14486 -0.13536 0.11564 49 2PY -0.05065 0.10585 0.22371 0.00867 -0.11956 50 2PZ -0.03022 0.02286 0.02546 -0.04431 -0.02272 51 3S 0.00585 0.01531 0.07429 -0.02518 -0.02099 52 3PX -0.07484 -0.01174 0.03601 -0.02335 0.02783 53 3PY 0.00154 0.02971 0.07304 -0.01112 -0.03020 54 3PZ -0.01228 0.00940 0.00390 -0.01567 -0.01514 55 4XX 0.00392 -0.00210 -0.00069 -0.00570 0.00871 56 4YY -0.00222 0.00030 -0.00609 0.00880 -0.00765 57 4ZZ -0.00050 0.00039 -0.00086 -0.00024 -0.00027 58 4XY 0.00776 -0.00212 -0.00762 0.00178 0.00105 59 4XZ 0.00156 0.00061 -0.00151 -0.00219 0.00036 60 4YZ 0.00124 0.00009 -0.00217 0.00052 -0.00136 61 5 C 1S 0.02697 -0.00229 -0.00618 -0.00684 0.00866 62 2S -0.05824 0.00553 0.01418 0.01652 -0.02321 63 2PX -0.16236 0.01022 0.04295 0.10656 -0.15962 64 2PY -0.07569 -0.11107 -0.14452 -0.03233 0.11371 65 2PZ -0.03216 0.00913 -0.01570 -0.00193 -0.04801 66 3S -0.09237 0.00995 0.02295 0.02736 -0.02584 67 3PX -0.05236 0.00144 0.01921 0.02590 -0.03664 68 3PY -0.02619 -0.03323 -0.01199 -0.03371 0.04217 69 3PZ -0.01035 0.00647 -0.00443 -0.00779 -0.01966 70 4XX 0.00085 -0.00244 -0.00626 -0.00192 0.01075 71 4YY 0.00440 0.00143 0.00479 -0.00082 -0.00527 72 4ZZ 0.00160 0.00012 -0.00077 -0.00026 -0.00047 73 4XY -0.00112 -0.00262 -0.01031 0.00720 -0.00371 74 4XZ -0.00016 0.00030 -0.00268 -0.00086 0.00040 75 4YZ 0.00006 -0.00055 -0.00120 0.00135 -0.00073 76 6 C 1S -0.00804 -0.00014 0.01394 -0.01829 0.01544 77 2S 0.01400 -0.00046 -0.03319 0.04109 -0.03208 78 2PX 0.06919 0.06438 -0.04953 0.10196 0.00266 79 2PY 0.19113 0.04374 0.18397 -0.15278 0.03001 80 2PZ 0.02725 0.03473 -0.01174 -0.01673 -0.03137 81 3S 0.01199 0.00581 -0.04953 0.07786 -0.07420 82 3PX 0.00049 0.03134 0.01502 0.04046 -0.02097 83 3PY 0.05181 0.01476 0.06017 -0.04640 0.01460 84 3PZ 0.00461 0.01593 -0.00110 -0.00724 -0.02014 85 4XX -0.00080 -0.00114 -0.00473 0.00061 0.00585 86 4YY 0.00342 0.00160 0.01037 -0.00575 -0.00436 87 4ZZ -0.00124 0.00003 0.00011 -0.00080 0.00089 88 4XY -0.01045 0.00033 0.00270 0.00232 -0.00347 89 4XZ -0.00063 0.00075 -0.00149 -0.00045 -0.00028 90 4YZ -0.00143 -0.00071 0.00203 0.00093 0.00039 91 7 C 1S 0.01212 0.00913 0.02276 -0.00010 -0.01936 92 2S -0.02302 -0.01861 -0.05024 0.00208 0.04050 93 2PX -0.09295 -0.04943 0.14025 -0.12659 0.01355 94 2PY -0.05442 0.09785 0.21181 0.00267 -0.06653 95 2PZ -0.01626 0.03826 0.00840 -0.06133 -0.05133 96 3S -0.02559 -0.05182 -0.10794 -0.00119 0.08033 97 3PX -0.06069 -0.01619 0.03679 -0.01273 -0.01800 98 3PY -0.00325 0.03398 0.08638 -0.01655 -0.01932 99 3PZ -0.00816 0.02078 -0.00423 -0.02633 -0.03270 100 4XX -0.00551 0.00214 0.00104 0.00636 -0.00583 101 4YY 0.00554 -0.00056 0.00549 -0.00851 0.00257 102 4ZZ 0.00085 0.00072 0.00127 0.00052 -0.00104 103 4XY -0.00744 0.00159 0.00617 -0.00298 0.00092 104 4XZ -0.00174 0.00078 0.00016 0.00059 -0.00065 105 4YZ -0.00093 -0.00238 0.00307 0.00095 0.00280 106 8 H 1S -0.07627 0.02151 0.13250 -0.05539 -0.01024 107 2S -0.05488 0.03060 0.12456 -0.04735 -0.01038 108 9 H 1S 0.10776 0.01432 0.10470 -0.09180 -0.00136 109 2S 0.09142 0.01237 0.10147 -0.09047 0.00222 110 10 H 1S 0.05784 -0.01909 -0.03734 -0.06227 0.11588 111 2S 0.05823 -0.01827 -0.03634 -0.06030 0.11846 112 11 H 1S 0.09825 -0.03398 -0.14690 0.04837 0.00572 113 2S 0.08219 -0.03228 -0.14086 0.04715 0.00727 114 12 H 1S -0.07688 -0.00654 -0.08811 0.10886 -0.08389 115 2S -0.06336 -0.01107 -0.08943 0.09932 -0.06929 116 13 C 1S -0.02337 -0.00879 0.00415 -0.00182 0.01096 117 2S 0.05472 0.01925 -0.01034 0.00416 -0.02378 118 2PX 0.09061 0.10996 -0.12893 -0.14968 -0.07593 119 2PY -0.03624 0.19520 -0.01467 0.03883 -0.00900 120 2PZ 0.15797 -0.03221 0.04401 0.08465 -0.00549 121 3S 0.05049 0.02788 -0.00155 0.00752 -0.03633 122 3PX 0.03178 0.04829 -0.04740 -0.06131 -0.02725 123 3PY -0.01356 0.09383 0.00030 0.02582 0.00164 124 3PZ 0.06147 0.00397 0.02842 0.04378 -0.00960 125 4XX -0.00089 -0.00116 0.00022 0.00011 -0.00426 126 4YY -0.00088 -0.00352 0.00014 -0.00066 0.00649 127 4ZZ -0.00455 0.00462 -0.00013 0.00016 -0.00001 128 4XY -0.00104 0.00330 0.00136 0.00575 0.01020 129 4XZ 0.00247 0.00164 -0.00025 0.00175 0.00120 130 4YZ 0.00154 0.00264 0.00038 0.00148 -0.00267 131 14 C 1S 0.00260 0.00092 -0.00072 -0.00189 0.00204 132 2S -0.00441 0.00052 0.00044 0.00217 -0.00412 133 2PX -0.16456 -0.11747 0.08341 0.05129 0.06310 134 2PY -0.06260 0.27962 0.00416 0.14423 0.26131 135 2PZ 0.15280 -0.05882 0.12185 0.22399 0.03905 136 3S -0.00547 -0.01751 0.00125 0.01225 -0.00775 137 3PX -0.07092 -0.04795 0.03891 0.02306 0.02800 138 3PY -0.02849 0.12293 0.00263 0.06710 0.12259 139 3PZ 0.07095 -0.02972 0.05470 0.10217 0.02176 140 4XX 0.00412 0.00255 -0.00400 -0.00499 -0.00372 141 4YY -0.00784 -0.00873 -0.00000 -0.00647 -0.00346 142 4ZZ 0.00107 0.00349 0.00614 0.01336 0.00956 143 4XY -0.00099 0.00878 -0.00113 0.00331 0.01192 144 4XZ 0.00360 0.00024 -0.00005 0.00117 -0.00201 145 4YZ 0.00669 -0.00862 0.00291 0.00220 -0.00645 146 15 H 1S -0.12662 0.10707 -0.01686 0.00040 0.12497 147 2S -0.09827 0.08695 -0.01488 -0.00139 0.11102 148 16 H 1S 0.06187 -0.00577 0.08292 0.16353 0.06861 149 2S 0.04722 0.00506 0.06580 0.13075 0.05807 150 17 H 1S -0.03519 -0.18362 0.01034 -0.08933 -0.14083 151 2S -0.02906 -0.15067 0.00737 -0.07811 -0.11998 152 18 H 1S -0.07928 0.02890 -0.00563 -0.01158 0.00605 153 2S -0.06597 0.02801 0.00179 -0.00559 0.00830 154 19 H 1S -0.00521 0.12434 -0.05912 -0.07970 -0.05779 155 2S 0.00286 0.10433 -0.04023 -0.05687 -0.05492 156 20 H 1S -0.03967 -0.04296 -0.03840 -0.05741 0.15594 157 2S -0.03303 -0.04524 -0.04204 -0.04739 0.12751 26 27 28 29 30 O O O O O Eigenvalues -- -0.37221 -0.35759 -0.34388 -0.33337 -0.32759 1 1 C 1S -0.01818 0.01382 0.01302 0.01097 -0.01475 2 2S 0.04097 -0.02913 -0.02908 -0.02277 0.02923 3 2PX 0.09604 -0.05499 -0.06092 0.05759 -0.27317 4 2PY 0.20843 -0.10874 -0.05535 -0.09026 -0.01022 5 2PZ 0.07632 0.06431 0.20990 0.03959 -0.05949 6 3S 0.05009 -0.05567 -0.05483 -0.06858 0.12310 7 3PX 0.02629 -0.03321 -0.02520 0.04297 -0.15176 8 3PY 0.07661 -0.05492 -0.03177 -0.03340 0.00479 9 3PZ 0.03287 0.02878 0.10587 0.02509 -0.02836 10 4XX -0.00743 -0.00324 -0.00481 -0.00645 0.01084 11 4YY -0.01082 0.00448 -0.00042 0.00795 -0.00263 12 4ZZ 0.01517 0.00297 0.01069 0.00157 -0.01061 13 4XY 0.00465 -0.00290 -0.00190 -0.00696 -0.00587 14 4XZ 0.00139 -0.00204 0.00952 -0.00035 0.00127 15 4YZ -0.00112 0.00059 0.00373 0.00049 -0.00012 16 2 C 1S 0.01661 0.00423 0.00198 0.00146 -0.00901 17 2S -0.04197 -0.01160 -0.00608 -0.00236 0.01827 18 2PX -0.07215 -0.03865 -0.00088 -0.03161 0.27446 19 2PY -0.01455 -0.02268 -0.02964 0.27736 0.03189 20 2PZ -0.00721 0.14528 -0.09329 0.01371 0.04603 21 3S -0.01074 -0.00768 0.00049 -0.01455 0.05916 22 3PX -0.03525 -0.02095 0.00887 0.02200 0.00342 23 3PY 0.02721 -0.00502 -0.00907 0.08009 0.02020 24 3PZ -0.00686 0.07741 -0.05764 0.00739 0.00378 25 4XX 0.00673 0.00091 -0.00382 -0.00961 0.01181 26 4YY -0.00527 -0.00043 -0.00038 0.00858 -0.00864 27 4ZZ 0.00155 -0.00059 0.00408 0.00025 -0.00117 28 4XY 0.00335 -0.00171 0.00031 -0.00975 -0.01160 29 4XZ 0.00158 -0.00501 0.01112 -0.00152 0.00216 30 4YZ -0.00049 0.00011 -0.00250 -0.00113 -0.00226 31 3 C 1S -0.02373 0.00228 0.00039 0.00879 0.00732 32 2S 0.04953 -0.00422 -0.00035 -0.02752 -0.01111 33 2PX -0.01035 -0.06243 0.02648 -0.00608 -0.24019 34 2PY 0.01964 0.02867 0.04721 -0.21092 -0.05341 35 2PZ 0.00282 0.13637 -0.13916 -0.02522 -0.05226 36 3S 0.10144 -0.01075 -0.00337 0.00422 -0.07653 37 3PX -0.03064 -0.02260 0.01782 -0.02630 -0.07056 38 3PY 0.00640 0.00407 0.01613 -0.03286 -0.05915 39 3PZ -0.00111 0.08301 -0.08365 -0.01210 -0.02245 40 4XX -0.00386 0.00223 -0.00030 -0.00899 0.00878 41 4YY 0.00135 -0.00423 -0.00184 0.01753 -0.00977 42 4ZZ -0.00138 0.00072 0.00091 -0.00108 0.00097 43 4XY -0.00072 0.00112 0.00305 -0.01389 -0.00621 44 4XZ -0.00038 -0.00088 0.00488 -0.00218 0.00134 45 4YZ 0.00032 0.00577 -0.00507 -0.00106 -0.00225 46 4 C 1S 0.01559 -0.00064 0.00043 -0.00425 -0.00858 47 2S -0.02935 0.00068 -0.00208 0.01506 0.02352 48 2PX 0.03640 0.01013 0.03014 -0.03333 0.21643 49 2PY 0.01282 -0.06150 -0.02820 0.22146 0.00873 50 2PZ 0.00919 0.13770 -0.17991 -0.00200 0.02656 51 3S -0.08744 0.00584 0.00190 -0.01939 0.03473 52 3PX -0.01615 0.00139 0.02152 -0.03677 0.08461 53 3PY 0.00496 -0.02379 -0.00450 0.06530 -0.01932 54 3PZ -0.00178 0.07907 -0.10648 -0.00921 0.00673 55 4XX 0.00530 0.00093 0.00225 -0.00758 0.00325 56 4YY -0.00568 -0.00213 0.00065 0.00246 -0.00880 57 4ZZ 0.00142 0.00162 -0.00187 -0.00009 -0.00001 58 4XY -0.00658 0.00087 0.00438 -0.01441 -0.01322 59 4XZ 0.00031 0.00431 -0.00300 -0.00287 -0.00057 60 4YZ -0.00169 0.00431 -0.00549 -0.00275 -0.00339 61 5 C 1S 0.00507 0.00152 0.00052 -0.00046 0.00288 62 2S -0.01646 -0.00425 -0.00128 0.00327 -0.01253 63 2PX -0.19980 -0.04306 0.03710 0.00920 -0.15711 64 2PY -0.05954 0.04474 0.05870 -0.23785 -0.02930 65 2PZ -0.03693 0.13322 -0.18391 -0.02981 -0.03996 66 3S -0.01023 -0.00230 -0.00049 -0.00747 0.01645 67 3PX -0.04964 -0.01599 0.02251 -0.00542 -0.03484 68 3PY -0.03229 0.01309 0.02409 -0.09015 -0.01829 69 3PZ -0.00985 0.07794 -0.10932 -0.01597 -0.01430 70 4XX 0.01227 0.00117 0.00302 -0.00902 0.01479 71 4YY -0.00690 -0.00158 -0.00095 0.00729 -0.00854 72 4ZZ -0.00040 0.00147 -0.00184 -0.00022 -0.00057 73 4XY -0.00644 0.00006 0.00178 -0.00694 -0.00956 74 4XZ 0.00210 0.00601 -0.00676 -0.00283 0.00195 75 4YZ -0.00168 -0.00155 0.00187 -0.00047 -0.00213 76 6 C 1S 0.00241 0.00220 -0.00029 0.00680 -0.00291 77 2S -0.00573 -0.00335 0.00221 -0.02299 0.00795 78 2PX 0.20200 -0.02717 0.01779 -0.02076 0.20634 79 2PY 0.05538 -0.03873 -0.02247 0.21650 0.02215 80 2PZ 0.03867 0.12915 -0.18277 -0.00023 0.02767 81 3S -0.01027 -0.01710 -0.00967 0.00402 0.02464 82 3PX 0.06142 -0.02232 0.00730 0.00130 0.08883 83 3PY 0.01289 -0.01099 0.00167 0.04761 0.01209 84 3PZ 0.01181 0.07509 -0.10931 -0.00383 0.01040 85 4XX 0.00603 0.00142 0.00133 -0.00879 0.00575 86 4YY -0.00593 -0.00214 -0.00317 0.01737 -0.00738 87 4ZZ -0.00001 0.00025 0.00085 -0.00120 0.00030 88 4XY -0.00719 0.00211 0.00112 -0.01417 -0.00461 89 4XZ 0.00066 0.00223 -0.00082 -0.00255 0.00085 90 4YZ -0.00176 -0.00550 0.00726 -0.00035 -0.00103 91 7 C 1S -0.00175 -0.00393 0.00038 -0.00775 -0.00256 92 2S 0.00857 0.00626 -0.00346 0.02063 0.01332 93 2PX -0.20415 -0.02152 0.02869 0.05669 -0.18255 94 2PY -0.01710 0.00350 0.04039 -0.25332 0.00265 95 2PZ -0.03546 0.13366 -0.14198 -0.01657 -0.03441 96 3S -0.02873 0.01843 0.00934 0.02782 -0.03634 97 3PX -0.07371 -0.01997 0.00675 0.03559 -0.02719 98 3PY 0.02101 -0.00052 0.01194 -0.09016 0.03852 99 3PZ -0.01140 0.07414 -0.08791 -0.00608 -0.00412 100 4XX -0.00050 0.00089 -0.00113 -0.00919 0.00523 101 4YY -0.00486 0.00002 -0.00061 0.00350 -0.01026 102 4ZZ 0.00056 -0.00173 0.00231 -0.00014 0.00066 103 4XY -0.00681 0.00339 0.00209 -0.01488 -0.01413 104 4XZ -0.00086 -0.00350 0.00626 -0.00242 0.00032 105 4YZ -0.00187 -0.00428 0.00329 -0.00218 -0.00315 106 8 H 1S -0.09750 0.01255 0.02063 -0.11134 -0.10158 107 2S -0.09080 0.01514 0.02810 -0.12582 -0.13731 108 9 H 1S -0.00918 -0.02253 -0.02284 0.15979 -0.02904 109 2S -0.00673 -0.02400 -0.02647 0.18371 -0.03423 110 10 H 1S 0.12573 0.02137 0.00240 -0.04376 0.11929 111 2S 0.13243 0.02358 0.00320 -0.04950 0.13740 112 11 H 1S -0.04540 0.01287 0.02359 -0.10754 -0.11067 113 2S -0.04309 0.01318 0.02600 -0.12488 -0.12959 114 12 H 1S 0.00828 -0.03604 -0.02629 0.15309 -0.02948 115 2S -0.00555 -0.03354 -0.02774 0.18998 -0.04380 116 13 C 1S 0.00366 -0.00159 0.00970 0.00512 0.00305 117 2S -0.01069 -0.00311 -0.02485 -0.01187 -0.00282 118 2PX -0.24944 -0.07714 0.04371 0.00566 0.16248 119 2PY -0.00396 0.04932 0.10534 -0.00311 0.03831 120 2PZ -0.03666 -0.21634 -0.19351 -0.07782 -0.00016 121 3S 0.01168 0.03183 -0.02581 -0.01918 -0.03304 122 3PX -0.08094 -0.02810 0.00645 -0.00209 0.04989 123 3PY 0.00177 0.01456 0.04539 -0.00914 0.00995 124 3PZ 0.00052 -0.08986 -0.07356 -0.04364 -0.01454 125 4XX -0.00517 -0.00909 -0.00428 -0.00358 0.01021 126 4YY -0.00275 -0.00056 -0.00307 0.00157 -0.00260 127 4ZZ 0.01163 0.01364 0.01256 0.00414 -0.00812 128 4XY -0.00171 -0.00411 -0.00742 -0.00023 -0.00007 129 4XZ -0.00671 0.01320 0.01051 0.00427 0.00290 130 4YZ -0.00323 -0.00090 0.00024 -0.00147 0.00424 131 14 C 1S 0.01392 0.00829 0.00328 0.00257 -0.01688 132 2S -0.02971 -0.01749 -0.00708 -0.00574 0.03409 133 2PX 0.25162 0.05927 -0.01547 0.00871 -0.16240 134 2PY -0.03005 -0.04593 -0.08704 0.01772 -0.03928 135 2PZ -0.05499 0.24685 0.12755 0.04996 0.02478 136 3S -0.06134 -0.03675 -0.01106 -0.00560 0.08435 137 3PX 0.12601 0.03046 -0.01414 0.00062 -0.08959 138 3PY -0.01577 -0.02200 -0.04529 0.00793 -0.01618 139 3PZ -0.02885 0.11971 0.05606 0.02559 0.01104 140 4XX -0.00431 -0.00659 -0.00310 -0.00176 0.00209 141 4YY 0.00970 -0.00378 -0.00271 -0.00139 -0.00512 142 4ZZ 0.00056 0.01359 0.00613 0.00400 -0.00199 143 4XY -0.00343 -0.00564 -0.00787 0.00088 -0.00234 144 4XZ -0.00616 0.01037 0.00869 0.00284 0.00498 145 4YZ -0.00264 0.00862 0.00641 0.00100 0.00340 146 15 H 1S 0.06948 -0.11261 -0.10745 -0.01178 -0.06843 147 2S 0.06595 -0.10053 -0.10097 -0.00918 -0.07721 148 16 H 1S -0.02446 0.16293 0.07672 0.03905 0.00722 149 2S -0.01045 0.15758 0.08758 0.04059 -0.00675 150 17 H 1S 0.09421 0.00893 0.03116 -0.01833 -0.01677 151 2S 0.08573 0.01256 0.03273 -0.01517 -0.02326 152 18 H 1S 0.06868 0.16081 0.12497 0.04567 -0.03925 153 2S 0.06880 0.13977 0.13464 0.04300 -0.04918 154 19 H 1S 0.11932 0.00841 0.11703 0.01035 -0.07962 155 2S 0.10654 0.02996 0.12297 0.01093 -0.09028 156 20 H 1S -0.12084 0.05284 0.00761 0.07152 -0.00337 157 2S -0.12106 0.05275 0.00944 0.09495 -0.01590 31 32 33 34 35 O O O V V Eigenvalues -- -0.24347 -0.23747 -0.18312 0.00422 0.00744 1 1 C 1S -0.00017 -0.00051 0.00447 0.00230 0.00101 2 2S -0.00288 0.00254 -0.01047 -0.00904 0.00820 3 2PX 0.00046 0.01534 -0.00553 0.00052 0.00236 4 2PY 0.00462 0.01346 -0.08727 -0.00015 0.00115 5 2PZ 0.00309 -0.08330 -0.02760 -0.02000 0.00021 6 3S 0.01881 0.01110 -0.02349 -0.02471 -0.08579 7 3PX -0.00117 -0.02731 -0.00459 0.04055 0.05774 8 3PY 0.01936 0.00861 -0.03718 0.05650 -0.06135 9 3PZ -0.02561 -0.02816 0.00655 -0.14800 0.04183 10 4XX -0.00005 0.00575 -0.00920 -0.00566 -0.00351 11 4YY -0.00181 -0.00149 0.02809 -0.00025 -0.00129 12 4ZZ 0.00136 -0.00570 -0.01650 0.00615 0.00637 13 4XY -0.00052 0.00045 0.00703 -0.00135 -0.00134 14 4XZ 0.00025 -0.01564 0.00348 0.01600 0.01489 15 4YZ 0.00159 -0.00028 -0.00839 0.00228 -0.00204 16 2 C 1S -0.00025 -0.00121 0.01324 0.00078 -0.00176 17 2S 0.00016 0.00271 -0.01984 -0.00252 -0.00100 18 2PX 0.00293 -0.05147 -0.05910 0.04418 0.04943 19 2PY -0.00113 -0.02566 0.01316 0.02017 0.01714 20 2PZ -0.01233 0.32742 0.02758 -0.27076 -0.24828 21 3S -0.00183 -0.00439 -0.15783 -0.01393 0.07469 22 3PX -0.01004 -0.05017 0.00195 0.05161 0.10405 23 3PY -0.00392 0.00138 -0.02413 -0.01974 0.01197 24 3PZ -0.00686 0.21541 0.02269 -0.31137 -0.29986 25 4XX -0.00168 0.00182 0.00171 0.00047 0.00448 26 4YY -0.00252 -0.00030 0.00234 -0.00337 0.00231 27 4ZZ 0.00355 -0.00264 -0.00094 0.00228 -0.00539 28 4XY -0.00314 0.00028 -0.00173 -0.00300 0.00442 29 4XZ 0.00391 -0.00841 -0.00366 -0.00287 -0.01006 30 4YZ 0.01795 0.00218 -0.00058 0.02124 -0.01989 31 3 C 1S -0.00032 -0.00019 0.00289 0.00014 -0.00052 32 2S 0.00121 0.00035 -0.00703 0.00015 -0.00024 33 2PX 0.05086 -0.02796 -0.00858 0.01124 -0.05896 34 2PY 0.02227 -0.01308 0.01390 0.00625 -0.03045 35 2PZ -0.29344 0.16889 0.01811 -0.06784 0.34626 36 3S -0.00566 0.00492 -0.00092 -0.01819 0.01369 37 3PX 0.03591 -0.01724 0.00382 0.00585 -0.08960 38 3PY 0.01020 -0.01258 0.04251 0.00443 -0.03338 39 3PZ -0.21419 0.13149 0.02869 -0.10881 0.45670 40 4XX -0.00263 -0.00371 -0.00118 0.00778 0.00012 41 4YY 0.00011 -0.00105 0.00104 0.00083 0.00128 42 4ZZ 0.00255 0.00507 0.00056 -0.00892 -0.00229 43 4XY -0.00038 -0.00213 -0.00096 0.00300 0.00218 44 4XZ 0.00885 0.01364 0.00239 -0.02717 -0.00224 45 4YZ -0.00142 0.00715 0.00092 -0.00618 -0.01199 46 4 C 1S 0.00014 0.00003 -0.00019 -0.00002 -0.00016 47 2S -0.00035 0.00030 -0.00032 -0.00012 0.00013 48 2PX 0.04755 0.02798 0.00688 -0.05637 0.01819 49 2PY 0.02074 0.01238 0.00087 -0.02483 0.00803 50 2PZ -0.28178 -0.16318 -0.03727 0.33257 -0.11208 51 3S 0.00232 0.00239 0.00255 -0.00245 -0.01112 52 3PX 0.03483 0.02086 0.00357 -0.07854 0.02188 53 3PY 0.01712 0.00831 -0.00583 -0.02928 0.01111 54 3PZ -0.20143 -0.12028 -0.03334 0.44574 -0.14852 55 4XX 0.00292 -0.00310 0.00005 -0.00004 -0.00682 56 4YY -0.00041 0.00163 -0.00030 0.00166 0.00202 57 4ZZ -0.00238 0.00153 0.00000 -0.00152 0.00460 58 4XY 0.00018 0.00131 0.00074 0.00227 0.00068 59 4XZ -0.00954 0.01006 0.00142 0.00083 0.02229 60 4YZ 0.00373 -0.01225 -0.00124 -0.01321 -0.01624 61 5 C 1S -0.00017 -0.00031 0.00349 0.00027 -0.00063 62 2S 0.00057 0.00090 -0.00807 -0.00079 0.00091 63 2PX -0.00115 0.05593 -0.00300 0.04389 0.03981 64 2PY -0.00020 0.02407 -0.00037 0.01901 0.01675 65 2PZ 0.01153 -0.32233 -0.03889 -0.26052 -0.23430 66 3S -0.00122 -0.00126 0.00151 0.00471 0.00414 67 3PX -0.00234 0.03816 0.00454 0.06232 0.05663 68 3PY 0.00106 0.01731 0.00597 0.02999 0.01899 69 3PZ 0.00783 -0.23421 -0.03147 -0.34602 -0.31274 70 4XX -0.00113 0.00110 0.00073 -0.00086 -0.00354 71 4YY -0.00229 -0.00019 -0.00028 0.00256 -0.00241 72 4ZZ 0.00340 -0.00097 0.00036 -0.00155 0.00572 73 4XY -0.00325 -0.00001 -0.00054 0.00336 -0.00407 74 4XZ 0.00350 -0.00399 0.00036 0.00381 0.01066 75 4YZ 0.01769 0.00161 0.00175 -0.02049 0.01956 76 6 C 1S 0.00007 0.00013 -0.00040 -0.00028 -0.00002 77 2S -0.00018 -0.00058 -0.00091 0.00113 0.00058 78 2PX -0.05008 0.02309 0.00019 0.01448 -0.05956 79 2PY -0.02226 0.00961 0.00406 0.00507 -0.02471 80 2PZ 0.29476 -0.14339 0.01966 -0.07975 0.34848 81 3S 0.00263 0.00489 0.01906 -0.00014 -0.01798 82 3PX -0.03426 0.01872 0.01669 0.02409 -0.09035 83 3PY -0.01617 0.00269 0.01836 0.01932 -0.03208 84 3PZ 0.21230 -0.10449 0.02849 -0.10205 0.46127 85 4XX -0.00271 -0.00409 -0.00107 -0.00806 -0.00083 86 4YY 0.00011 -0.00087 0.00047 -0.00084 -0.00161 87 4ZZ 0.00264 0.00512 0.00054 0.00880 0.00217 88 4XY -0.00031 -0.00204 -0.00229 -0.00299 -0.00181 89 4XZ 0.00926 0.01425 0.00276 0.02636 0.00181 90 4YZ -0.00146 0.00650 0.00022 0.00564 0.01156 91 7 C 1S 0.00007 -0.00040 0.00202 0.00084 -0.00072 92 2S -0.00021 0.00235 -0.00721 -0.00446 -0.00158 93 2PX -0.04691 -0.02838 -0.02433 -0.05902 0.02178 94 2PY -0.01717 -0.00923 -0.04083 -0.02476 0.01119 95 2PZ 0.28314 0.18514 0.03902 0.33342 -0.11696 96 3S -0.00135 -0.01475 0.00757 0.01882 0.02784 97 3PX -0.02985 -0.01855 0.00848 -0.06950 0.00786 98 3PY -0.01211 0.00431 -0.10446 -0.06226 0.01839 99 3PZ 0.20347 0.14140 0.01304 0.43710 -0.15732 100 4XX 0.00282 -0.00285 0.00006 -0.00012 0.00668 101 4YY -0.00041 0.00164 -0.00015 -0.00158 -0.00242 102 4ZZ -0.00234 0.00120 -0.00090 0.00175 -0.00477 103 4XY 0.00014 0.00168 0.00020 -0.00276 -0.00120 104 4XZ -0.00943 0.00909 -0.00211 0.00046 -0.02251 105 4YZ 0.00374 -0.01240 -0.00120 0.01319 0.01671 106 8 H 1S 0.00093 0.00225 -0.01521 -0.00235 0.00036 107 2S 0.00001 -0.00519 0.05923 0.01967 -0.01082 108 9 H 1S -0.00077 -0.00073 0.00745 -0.00036 -0.00056 109 2S -0.00087 0.00052 0.00605 -0.00465 -0.00275 110 10 H 1S -0.00028 -0.00062 0.00426 0.00038 -0.00049 111 2S -0.00098 -0.00162 0.00953 0.00198 -0.00132 112 11 H 1S 0.00038 -0.00018 0.00223 0.00011 -0.00090 113 2S 0.00106 -0.00069 0.00124 0.00112 -0.00277 114 12 H 1S -0.00010 0.00007 -0.00300 -0.00012 -0.00018 115 2S -0.00320 -0.00376 0.03272 0.00299 -0.00542 116 13 C 1S 0.00052 -0.01687 -0.01922 0.01865 0.01960 117 2S 0.00132 0.03385 0.03507 -0.02950 -0.04212 118 2PX 0.00321 -0.05696 -0.12534 0.02994 0.03945 119 2PY -0.02058 -0.10031 0.51415 0.05114 -0.00636 120 2PZ -0.01981 0.01591 0.19976 -0.02689 -0.01713 121 3S -0.01991 0.11305 0.13397 -0.22693 -0.15579 122 3PX 0.02823 0.01043 -0.10960 0.05888 -0.09106 123 3PY -0.01787 -0.07944 0.45545 0.05582 -0.00399 124 3PZ -0.02140 0.00540 0.16076 -0.04897 0.00193 125 4XX -0.00068 -0.00301 -0.00245 0.00362 0.00611 126 4YY -0.00003 0.00143 0.00407 -0.00077 -0.00252 127 4ZZ 0.00138 -0.00120 -0.00680 0.00094 -0.00083 128 4XY 0.00039 0.00260 -0.00370 0.00170 0.00039 129 4XZ 0.00064 -0.00165 -0.00073 0.00146 -0.00004 130 4YZ 0.00028 -0.00076 -0.00084 0.00152 -0.00040 131 14 C 1S 0.00058 0.00423 0.00580 -0.00193 -0.00708 132 2S -0.00037 -0.00592 -0.01214 0.00505 0.00787 133 2PX 0.00150 0.03464 0.03731 -0.02438 -0.03125 134 2PY 0.00518 0.02697 -0.08040 -0.00372 -0.00550 135 2PZ 0.00442 0.01186 -0.02222 -0.01764 -0.01429 136 3S -0.01326 -0.04837 -0.02965 -0.00322 0.12004 137 3PX 0.00549 0.04287 0.01766 -0.05154 -0.08373 138 3PY 0.00566 0.02046 -0.03023 0.00446 -0.02920 139 3PZ 0.00738 0.01595 0.00623 -0.02198 -0.04978 140 4XX -0.00047 -0.00070 0.00698 -0.00095 -0.00122 141 4YY -0.00032 0.00041 0.00533 -0.00008 -0.00074 142 4ZZ 0.00097 0.00158 -0.01066 0.00079 0.00029 143 4XY 0.00102 0.00447 -0.02634 -0.00285 0.00075 144 4XZ 0.00043 -0.00080 -0.00735 0.00001 0.00063 145 4YZ 0.00015 -0.00023 -0.00148 -0.00035 -0.00039 146 15 H 1S 0.00148 0.02220 -0.05070 -0.00793 -0.00075 147 2S 0.00165 0.02931 -0.06836 -0.02176 -0.00377 148 16 H 1S 0.00618 0.01229 -0.07075 -0.00239 -0.00009 149 2S 0.00672 0.00514 -0.12289 0.03855 0.03674 150 17 H 1S -0.00624 -0.01762 0.13113 0.00724 -0.00670 151 2S -0.00716 -0.02282 0.22500 0.03278 -0.03570 152 18 H 1S 0.00896 -0.00269 -0.02448 0.00379 -0.00584 153 2S 0.00476 -0.03554 -0.05654 0.02874 0.05113 154 19 H 1S 0.00784 -0.07151 -0.08116 0.05108 0.04611 155 2S 0.02855 -0.08638 -0.13831 0.24404 0.08820 156 20 H 1S -0.00655 -0.00688 0.13019 0.00141 -0.01274 157 2S -0.00426 -0.00778 0.21630 0.03245 -0.05760 36 37 38 39 40 V V V V V Eigenvalues -- 0.09747 0.10956 0.12844 0.13472 0.15206 1 1 C 1S 0.02327 -0.07198 -0.04297 0.02116 0.03942 2 2S 0.00006 0.08391 0.03601 -0.02505 -0.04364 3 2PX -0.11090 0.01578 0.05420 0.01843 0.00560 4 2PY 0.10076 -0.06532 -0.07802 0.19527 0.01499 5 2PZ -0.06431 0.11885 0.07886 0.12640 -0.12615 6 3S -0.63515 1.19481 0.83138 -0.37181 -0.77891 7 3PX -0.21675 -0.12775 0.34742 0.11657 -0.02745 8 3PY 0.27529 -0.24005 -0.21999 0.56164 -0.05701 9 3PZ -0.16204 0.39181 0.10806 0.35352 -0.35285 10 4XX -0.00577 -0.01067 0.01294 0.00712 0.00247 11 4YY 0.00473 -0.00560 -0.00870 0.00238 0.00318 12 4ZZ 0.00714 -0.00059 -0.01572 -0.00538 0.00406 13 4XY 0.00053 0.00203 0.00171 -0.00419 0.00142 14 4XZ -0.00218 -0.00157 0.00004 -0.00294 0.01292 15 4YZ 0.00342 -0.00281 -0.00037 -0.00019 0.00179 16 2 C 1S 0.01804 0.01751 -0.01597 -0.00867 -0.00480 17 2S -0.03303 -0.03444 0.01299 0.02094 -0.01405 18 2PX -0.03481 -0.05769 0.06487 0.02633 0.01525 19 2PY 0.01611 0.00702 -0.03401 0.02444 -0.01063 20 2PZ -0.01337 -0.01160 0.06052 0.05275 -0.08545 21 3S -0.27746 0.02635 0.44704 -0.06472 -0.07063 22 3PX 0.13339 -0.37094 0.04817 0.20177 0.22828 23 3PY -0.09978 0.17165 0.04347 -0.21523 0.00522 24 3PZ 0.03071 -0.11379 0.05647 0.03169 -0.08977 25 4XX 0.01695 0.00636 -0.00134 0.00167 -0.00428 26 4YY -0.01424 0.00233 0.00264 -0.00838 -0.00764 27 4ZZ -0.00061 -0.00227 -0.00216 0.00225 0.00123 28 4XY -0.00218 -0.00499 -0.00832 0.01792 -0.00286 29 4XZ 0.00204 0.00539 0.00333 0.00686 -0.01602 30 4YZ -0.00181 -0.00114 -0.00054 0.00162 0.00236 31 3 C 1S 0.04211 0.00118 -0.00628 0.02307 0.01041 32 2S -0.08117 0.01199 0.00349 -0.02756 -0.04268 33 2PX -0.04081 0.01313 0.02091 -0.01828 -0.03813 34 2PY 0.13639 0.00542 -0.09287 0.19164 -0.03129 35 2PZ 0.02466 -0.04231 -0.04008 -0.03776 0.14026 36 3S -0.42099 -0.15628 0.17642 -0.48687 0.06296 37 3PX -0.22209 0.03033 0.01299 -0.18000 0.01958 38 3PY 0.44889 -0.18913 -0.33282 0.58750 0.14115 39 3PZ 0.02137 -0.05307 -0.10124 -0.07299 0.23387 40 4XX -0.00455 -0.00536 0.00041 0.00071 0.00180 41 4YY 0.01310 0.00792 0.00100 -0.00109 -0.00329 42 4ZZ -0.00035 -0.00037 -0.00159 0.00214 0.00007 43 4XY -0.01132 -0.00299 0.00002 -0.00684 0.00435 44 4XZ -0.00100 -0.00340 -0.00059 -0.00231 0.00560 45 4YZ -0.00114 -0.00010 0.00235 0.00031 -0.00343 46 4 C 1S 0.03701 0.02093 0.01290 0.01050 -0.02070 47 2S -0.05018 -0.04518 -0.02694 0.00322 0.03588 48 2PX 0.10713 0.00824 0.01365 0.05817 -0.00462 49 2PY 0.09971 0.04188 0.01040 0.07451 -0.05317 50 2PZ -0.00038 0.06672 0.05082 0.08170 -0.16990 51 3S -0.69500 -0.14776 -0.11773 -0.46303 0.29308 52 3PX 0.12035 0.12377 0.02458 0.11354 -0.11098 53 3PY 0.17655 0.19241 0.13601 0.03813 -0.25088 54 3PZ -0.00574 0.12870 0.09957 0.13486 -0.31856 55 4XX -0.00127 0.00191 -0.00327 0.00336 -0.00352 56 4YY 0.00480 0.00412 0.00698 -0.00533 -0.00171 57 4ZZ 0.00256 -0.00171 -0.00119 0.00200 0.00254 58 4XY 0.01828 0.00571 0.00109 0.00846 -0.00359 59 4XZ 0.00179 -0.00092 -0.00191 -0.00115 0.00453 60 4YZ 0.00423 -0.00159 -0.00103 -0.00244 0.00740 61 5 C 1S 0.03911 0.01228 0.01439 -0.00152 -0.00219 62 2S -0.07243 -0.00974 -0.01331 -0.00688 -0.00802 63 2PX 0.12868 0.07188 0.10570 -0.01092 -0.05696 64 2PY -0.02328 -0.01287 -0.03412 0.04050 -0.00713 65 2PZ 0.03915 -0.04437 -0.02595 -0.06151 0.15488 66 3S -0.43468 -0.37848 -0.38487 0.18493 0.22916 67 3PX 0.37683 0.05435 0.20538 0.02944 -0.01520 68 3PY -0.07549 -0.03186 -0.01532 -0.08454 0.03252 69 3PZ 0.09140 -0.08809 -0.04433 -0.11594 0.30130 70 4XX 0.01858 0.00367 0.00634 -0.00301 0.00428 71 4YY -0.01014 -0.00447 -0.00652 0.00453 0.00052 72 4ZZ -0.00013 0.00144 0.00161 -0.00039 -0.00323 73 4XY -0.00818 -0.00250 -0.00013 -0.00583 0.00230 74 4XZ 0.00261 0.00254 0.00265 0.00210 -0.00765 75 4YZ -0.00087 -0.00290 -0.00228 -0.00193 0.00262 76 6 C 1S 0.03347 0.02330 0.02631 -0.03134 0.00447 77 2S -0.04589 -0.04683 -0.04045 0.05037 0.00492 78 2PX 0.05424 -0.00785 0.02758 -0.02372 0.04313 79 2PY -0.11235 -0.05719 -0.11237 0.13606 -0.02774 80 2PZ -0.00552 0.03278 0.02638 0.06173 -0.15726 81 3S -0.60941 -0.20277 -0.46579 0.51459 -0.26731 82 3PX 0.05203 -0.02998 0.04069 -0.14688 0.09441 83 3PY -0.15692 -0.29318 -0.31726 0.41096 0.04238 84 3PZ -0.01903 0.03645 0.04659 0.10302 -0.26802 85 4XX -0.01008 -0.00274 -0.00585 0.00049 -0.00165 86 4YY 0.01494 0.00770 0.00792 -0.00593 -0.00010 87 4ZZ 0.00045 0.00038 0.00163 0.00024 0.00135 88 4XY -0.00670 -0.00414 -0.00350 0.00853 -0.00157 89 4XZ -0.00453 0.00164 0.00083 0.00224 0.00116 90 4YZ -0.00066 0.00280 0.00148 0.00425 -0.01025 91 7 C 1S 0.03988 -0.00192 0.00855 -0.00571 0.01629 92 2S -0.08481 0.02087 -0.01099 -0.02281 -0.05926 93 2PX -0.06628 0.00451 -0.01979 0.06610 -0.08893 94 2PY -0.05465 -0.02286 -0.04677 0.13761 -0.05905 95 2PZ -0.03117 -0.00202 0.00368 0.00008 0.13176 96 3S -0.26688 -0.17062 -0.24164 0.53082 -0.13336 97 3PX -0.26453 0.02637 -0.13336 0.20923 -0.24701 98 3PY -0.25649 0.24195 0.05078 0.10632 -0.25350 99 3PZ -0.06018 0.01197 -0.07986 -0.02999 0.16895 100 4XX 0.00538 -0.00004 0.00109 0.00309 -0.00328 101 4YY 0.00539 0.00073 -0.00337 0.00262 -0.00460 102 4ZZ -0.00079 -0.00008 0.00036 -0.00437 0.00235 103 4XY 0.01212 0.01026 0.00629 -0.01198 -0.00053 104 4XZ 0.00323 -0.00207 -0.00161 -0.00205 0.00505 105 4YZ 0.00263 0.00319 -0.00092 -0.00228 0.00098 106 8 H 1S 0.04894 0.03283 0.01618 -0.03351 -0.00168 107 2S 0.65984 -0.05501 0.24776 -0.57782 0.44143 108 9 H 1S 0.04814 0.02948 0.03298 -0.04179 0.00265 109 2S 0.63167 0.42588 0.63758 -0.80394 0.14245 110 10 H 1S 0.06428 0.01458 0.02252 0.00117 0.00205 111 2S 0.80764 0.28124 0.47032 -0.07051 -0.08925 112 11 H 1S 0.05913 0.02363 0.00736 0.02310 -0.01795 113 2S 0.73838 0.37927 0.20921 0.42893 -0.48946 114 12 H 1S 0.05438 0.02486 -0.00025 0.02004 -0.01258 115 2S 0.85743 -0.02260 -0.41189 0.91083 0.07065 116 13 C 1S -0.00295 -0.01160 0.04743 0.02935 0.06806 117 2S -0.02566 0.05978 -0.06442 -0.03148 -0.09524 118 2PX -0.00106 -0.01863 0.06458 0.01463 -0.03027 119 2PY -0.04474 0.00711 -0.02485 -0.03517 -0.00249 120 2PZ -0.04061 -0.03904 0.15038 0.09824 0.11496 121 3S 0.15214 0.13650 -0.78945 -0.50489 -1.05176 122 3PX 0.00518 -0.16507 0.30517 0.00670 -0.22703 123 3PY -0.09701 0.01222 0.11714 -0.16287 -0.00160 124 3PZ -0.00273 -0.11365 0.28011 0.11791 0.41090 125 4XX 0.00321 0.00842 -0.00678 0.00051 0.01349 126 4YY -0.00265 -0.00341 0.00464 -0.00347 -0.00253 127 4ZZ -0.00754 0.00482 0.01115 0.01134 0.00357 128 4XY -0.00022 0.00220 -0.00507 -0.00798 -0.00153 129 4XZ -0.00544 0.00180 0.00897 0.00453 0.00912 130 4YZ 0.00841 -0.00667 -0.01037 -0.00283 -0.00330 131 14 C 1S 0.01200 -0.10903 0.05624 -0.02061 -0.08407 132 2S -0.00399 0.12802 -0.06810 0.01726 0.09681 133 2PX -0.02926 0.13149 -0.09784 -0.01216 0.00222 134 2PY 0.00495 -0.00783 -0.07308 -0.03364 -0.12884 135 2PZ -0.04970 0.05745 0.13654 0.12566 0.04744 136 3S -0.27194 1.79694 -0.95693 0.36209 1.35241 137 3PX -0.06052 0.43455 -0.26493 -0.08514 -0.14153 138 3PY 0.05730 -0.00052 -0.26685 -0.13692 -0.41102 139 3PZ -0.15350 0.15399 0.35346 0.34070 0.07717 140 4XX -0.00236 -0.00403 0.00312 -0.00144 -0.00993 141 4YY 0.00151 -0.01117 0.00717 -0.00142 -0.00408 142 4ZZ 0.00412 -0.00978 0.00245 -0.00260 -0.00552 143 4XY 0.00146 -0.00090 0.00355 0.00684 0.00116 144 4XZ 0.00223 0.00537 -0.00871 -0.00470 -0.01160 145 4YZ 0.00291 0.00131 -0.00725 -0.00422 -0.00796 146 15 H 1S -0.00489 -0.03403 0.05136 0.04068 0.04204 147 2S -0.02951 -0.79852 1.05828 0.35478 0.06311 148 16 H 1S 0.01910 -0.01130 -0.02543 -0.02332 -0.04470 149 2S 0.29525 -0.90197 -0.06612 -0.55932 -0.59734 150 17 H 1S -0.00430 -0.01442 0.00355 -0.02948 -0.02555 151 2S 0.12104 -0.87269 0.31630 -0.17999 -0.88711 152 18 H 1S -0.03753 0.03182 0.06484 0.05455 0.04882 153 2S -0.13327 -0.18613 0.94006 0.57202 0.89048 154 19 H 1S 0.01589 -0.00009 -0.05740 -0.04022 0.03428 155 2S 0.37917 -0.73868 -0.60204 -0.58218 0.72155 156 20 H 1S 0.01156 -0.01066 -0.03745 0.03254 0.00674 157 2S 0.51915 -0.65083 -0.57719 0.87041 0.18881 41 42 43 44 45 V V V V V Eigenvalues -- 0.15802 0.17017 0.17504 0.18232 0.19024 1 1 C 1S -0.02720 0.07610 0.00089 0.05678 -0.00585 2 2S 0.02316 -0.10833 0.01014 -0.07407 -0.00708 3 2PX 0.06691 0.01036 -0.01157 -0.10650 -0.02719 4 2PY -0.09371 0.06234 0.04017 -0.21992 0.06281 5 2PZ -0.07453 0.00121 0.04878 -0.11972 0.12220 6 3S 0.57231 -1.18872 -0.12136 -0.82838 0.37629 7 3PX 0.21250 -0.07374 -0.08476 -0.26398 0.08645 8 3PY -0.20644 0.12905 0.10410 -0.77418 0.15763 9 3PZ -0.18264 0.04344 0.17483 -0.28907 0.41509 10 4XX -0.00454 0.00794 -0.00306 0.00690 0.00178 11 4YY -0.00206 0.00292 -0.01184 -0.00756 -0.00411 12 4ZZ 0.00036 0.00305 0.01403 0.01300 0.00120 13 4XY -0.00446 0.00120 -0.00012 0.00714 0.00675 14 4XZ 0.01431 -0.00409 0.00409 -0.00907 0.00751 15 4YZ -0.00178 -0.00099 0.00401 -0.00542 -0.00735 16 2 C 1S 0.00731 0.01891 -0.00793 -0.01305 -0.00326 17 2S -0.03682 -0.04397 -0.00415 -0.02424 0.01846 18 2PX 0.07778 0.10302 -0.00517 -0.02024 0.03256 19 2PY 0.01517 -0.04143 0.00010 -0.03109 -0.03346 20 2PZ -0.12033 0.06258 -0.09783 0.06040 -0.17929 21 3S 0.32622 -0.36096 0.27025 0.48109 0.25060 22 3PX -0.19754 0.29203 -0.06368 -0.11165 -0.06790 23 3PY -0.07647 -0.01052 0.04360 -0.00532 0.05202 24 3PZ -0.24525 0.13545 -0.19592 0.15971 -0.33933 25 4XX 0.00197 -0.02050 0.00102 -0.00889 0.00467 26 4YY 0.00818 0.01437 -0.00288 -0.00180 0.00853 27 4ZZ -0.00488 0.00447 -0.00116 0.00260 -0.00489 28 4XY 0.00825 0.00699 -0.00378 -0.01379 -0.00329 29 4XZ -0.01034 -0.00136 -0.00214 -0.00205 0.00267 30 4YZ 0.00539 0.00082 -0.00024 -0.00410 -0.00037 31 3 C 1S -0.02123 -0.02871 0.01507 0.02355 0.03108 32 2S 0.05788 0.01819 -0.02234 -0.04050 -0.02628 33 2PX -0.00854 0.10994 -0.02345 -0.05264 0.00792 34 2PY -0.01336 -0.09494 0.00928 0.00282 0.07192 35 2PZ 0.15267 -0.04498 0.08253 -0.09207 0.09989 36 3S -0.03941 0.78764 -0.28925 -0.50053 -0.70655 37 3PX -0.12422 0.38462 -0.05733 -0.09019 0.08575 38 3PY -0.42355 -0.09292 0.02509 -0.13138 0.19757 39 3PZ 0.21232 -0.03463 0.14567 -0.16115 0.27922 40 4XX -0.00674 0.01483 -0.00047 -0.00055 0.00637 41 4YY -0.00035 -0.01743 0.00112 -0.00034 -0.00075 42 4ZZ 0.00152 -0.00193 0.00059 0.00090 0.00069 43 4XY -0.00868 -0.00681 0.00326 0.00140 0.00369 44 4XZ 0.00135 0.00198 0.00099 -0.00129 0.00098 45 4YZ -0.00824 0.00018 -0.00495 0.00453 -0.01024 46 4 C 1S 0.04226 -0.04724 -0.00769 0.02658 -0.02962 47 2S -0.06797 0.08233 0.00656 -0.04089 0.02956 48 2PX 0.13015 -0.03024 -0.00582 0.07204 -0.00194 49 2PY 0.16796 -0.03848 -0.03041 0.05766 -0.05169 50 2PZ -0.13226 0.04634 -0.07777 0.08401 -0.09321 51 3S -0.68857 0.70344 0.22742 -0.43251 0.78290 52 3PX 0.42482 -0.38924 0.00953 0.39608 0.09287 53 3PY 0.63550 -0.09032 -0.08719 0.19664 -0.15488 54 3PZ -0.17659 0.02468 -0.14570 0.20873 -0.19055 55 4XX 0.00117 -0.00559 -0.00268 0.00041 -0.00566 56 4YY 0.00156 -0.00021 0.00215 0.00463 0.00401 57 4ZZ 0.00358 -0.00116 0.00059 -0.00068 -0.00135 58 4XY 0.00165 0.00514 -0.00045 -0.00312 0.00363 59 4XZ 0.00604 -0.00294 0.00313 -0.00366 0.00323 60 4YZ 0.00806 -0.00155 0.00280 -0.00268 0.00438 61 5 C 1S 0.01922 0.06887 -0.01729 -0.02603 -0.02155 62 2S -0.00327 -0.09470 0.02886 0.04857 0.04796 63 2PX 0.08784 0.20467 -0.03791 -0.02249 -0.03068 64 2PY -0.04274 -0.02138 0.02024 -0.00328 0.05549 65 2PZ 0.17725 -0.02114 0.06654 -0.07151 0.09245 66 3S -0.73399 -1.27715 0.24254 0.30968 0.14196 67 3PX 0.03847 0.70279 -0.14503 -0.26059 -0.27245 68 3PY -0.23035 -0.01014 0.13300 -0.07552 0.32363 69 3PZ 0.29405 0.01898 0.11887 -0.17306 0.15574 70 4XX 0.00116 0.00091 0.00050 -0.00234 -0.00151 71 4YY -0.00238 0.00364 -0.00171 -0.00319 -0.00284 72 4ZZ 0.00104 0.00469 -0.00137 0.00111 -0.00076 73 4XY -0.00520 0.00037 -0.00160 -0.00547 -0.00755 74 4XZ -0.00988 0.00257 -0.00392 0.00316 -0.00671 75 4YZ 0.00080 -0.00053 0.00107 -0.00219 -0.00099 76 6 C 1S -0.01798 -0.00540 0.02939 0.00742 0.05969 77 2S 0.00316 0.02538 -0.04518 -0.03300 -0.10254 78 2PX -0.00182 0.00698 0.01745 -0.02872 0.04803 79 2PY 0.10030 -0.09330 -0.04259 0.05657 -0.09152 80 2PZ -0.15742 0.05036 -0.06678 0.06502 -0.09745 81 3S 0.66878 -0.14997 -0.51039 0.15043 -0.86558 82 3PX -0.14072 -0.20924 0.08456 -0.04280 0.18976 83 3PY 0.04193 -0.20826 -0.21531 0.00408 -0.63263 84 3PZ -0.31300 0.04880 -0.13746 0.11997 -0.20738 85 4XX -0.00094 -0.00306 0.00344 0.00410 0.01110 86 4YY 0.00452 -0.00067 0.00012 0.00178 -0.00213 87 4ZZ -0.00375 0.00164 0.00079 -0.00185 0.00037 88 4XY 0.00777 -0.00242 0.00198 0.00137 0.00526 89 4XZ 0.00301 -0.00271 0.00150 -0.00102 0.00574 90 4YZ -0.00741 0.00267 -0.00325 0.00429 -0.00390 91 7 C 1S -0.03889 -0.03956 -0.00530 -0.01268 -0.04228 92 2S 0.06175 0.04519 0.02141 0.02143 0.10728 93 2PX 0.11761 0.10845 -0.02922 0.02780 0.00469 94 2PY 0.10532 0.05709 0.01129 0.00981 0.08195 95 2PZ 0.17698 -0.04169 0.06127 -0.08210 0.11649 96 3S 0.58953 0.81244 -0.03917 0.00943 0.39001 97 3PX 0.46625 0.28060 -0.14064 0.06818 0.13835 98 3PY 0.41548 0.16095 0.20291 0.14243 0.58865 99 3PZ 0.36754 -0.03345 0.14377 -0.11063 0.30906 100 4XX -0.00293 0.01165 -0.00518 -0.01055 -0.00465 101 4YY -0.00559 -0.01579 0.00290 0.00064 0.00099 102 4ZZ 0.00163 -0.00202 0.00285 0.00163 0.00278 103 4XY -0.00603 -0.00201 0.00304 0.00293 0.00427 104 4XZ 0.00550 0.00047 0.00248 -0.00575 0.00291 105 4YZ 0.00276 -0.00334 0.00546 -0.00310 0.01048 106 8 H 1S -0.03978 -0.03839 0.00958 -0.01002 -0.01365 107 2S -1.05947 -0.75945 -0.05053 -0.15058 -0.83074 108 9 H 1S -0.00564 0.00384 0.00722 0.00740 0.01457 109 2S -0.41851 0.26195 0.45438 -0.11483 1.05230 110 10 H 1S 0.00801 0.03490 -0.00834 -0.00994 -0.01012 111 2S 0.52400 1.37219 -0.28606 -0.40747 -0.38162 112 11 H 1S 0.03517 -0.00944 -0.00102 0.00545 0.00627 113 2S 1.14368 -0.60899 -0.20286 0.66868 -0.41006 114 12 H 1S 0.00263 -0.04774 0.00542 0.00045 0.00664 115 2S -0.31094 -0.69597 0.18112 0.15938 0.50865 116 13 C 1S 0.02388 -0.02734 0.00188 -0.05554 -0.05446 117 2S -0.00901 0.03978 -0.02168 0.09470 0.11618 118 2PX 0.01263 -0.04961 0.01609 -0.09280 0.00563 119 2PY 0.09488 -0.01049 -0.05093 -0.01444 0.06602 120 2PZ -0.01662 0.00995 -0.01744 0.00376 -0.08657 121 3S -0.45367 0.40479 0.05978 0.84609 0.83482 122 3PX -0.00223 -0.25341 -0.05251 -0.42744 0.07539 123 3PY 0.16413 -0.16159 -0.36584 0.04529 0.18436 124 3PZ -0.11650 -0.00317 -0.10474 -0.04425 -0.49026 125 4XX 0.00540 -0.00492 -0.00541 -0.00394 -0.00187 126 4YY 0.00152 0.00033 0.00321 0.00857 -0.00323 127 4ZZ 0.00317 -0.00074 -0.00114 -0.00935 0.00744 128 4XY 0.00911 -0.00381 0.01541 0.00049 -0.01003 129 4XZ 0.00103 0.00614 0.01068 0.02158 0.00013 130 4YZ -0.00573 0.00363 0.00687 -0.00009 -0.00491 131 14 C 1S 0.00275 -0.01674 -0.00415 0.00195 0.04047 132 2S -0.00794 0.00811 0.00622 -0.01056 -0.05423 133 2PX -0.03775 0.03336 -0.07238 -0.02463 0.01786 134 2PY 0.02867 0.03019 0.33466 -0.09029 -0.17291 135 2PZ -0.04889 0.05859 0.19812 0.17990 0.05330 136 3S -0.01033 0.39042 0.08852 0.10586 -0.59661 137 3PX -0.14004 -0.00301 -0.24168 -0.14663 0.15238 138 3PY 0.04933 0.04641 1.09049 -0.28857 -0.58602 139 3PZ -0.12771 0.22857 0.62657 0.67807 0.33071 140 4XX -0.00038 0.00250 0.00023 0.00755 0.00848 141 4YY 0.00018 -0.00023 0.00939 0.00593 -0.00282 142 4ZZ 0.00136 -0.00697 -0.01083 -0.01269 0.00260 143 4XY -0.00774 0.00366 -0.00169 0.00099 0.00297 144 4XZ -0.00075 -0.00290 0.00082 -0.00677 0.00699 145 4YZ -0.00115 -0.00200 0.00391 -0.00793 -0.00387 146 15 H 1S -0.01940 0.03013 -0.01737 0.06861 0.03018 147 2S -0.11940 0.01871 -0.41986 0.88630 0.90537 148 16 H 1S 0.00501 -0.03505 -0.06319 -0.08486 0.01075 149 2S 0.19265 -0.45151 -1.13991 -0.79691 0.10662 150 17 H 1S 0.02499 -0.01002 0.08120 0.01617 -0.04222 151 2S 0.15501 -0.02814 1.52654 -0.08938 -0.46094 152 18 H 1S 0.01406 -0.00319 0.01630 -0.02270 -0.00724 153 2S 0.01194 -0.22727 0.01608 -0.58442 -0.88852 154 19 H 1S 0.02829 0.01095 0.05325 0.05052 -0.00006 155 2S 0.13183 0.39932 -0.08999 1.09768 -0.57044 156 20 H 1S -0.01331 0.01255 -0.04321 -0.06950 -0.01186 157 2S -0.53536 0.65673 0.13261 -0.65970 0.15355 46 47 48 49 50 V V V V V Eigenvalues -- 0.19411 0.20013 0.25250 0.26232 0.29210 1 1 C 1S 0.01214 -0.03901 0.08419 0.02235 -0.05937 2 2S -0.00224 0.06367 -0.09738 -0.04663 0.02780 3 2PX 0.03775 0.01614 0.21380 -0.12512 0.06913 4 2PY 0.02106 -0.14833 -0.08431 -0.06330 0.06778 5 2PZ -0.10847 -0.05927 0.05684 0.10608 -0.25593 6 3S -0.19998 0.45743 -1.50423 -0.29677 1.55068 7 3PX -0.19185 -0.17643 0.89937 -1.58307 0.39351 8 3PY -0.03214 -0.52361 -0.34531 -0.17683 0.74702 9 3PZ -0.34088 -0.18944 0.22401 0.22797 -1.55518 10 4XX 0.00604 0.00093 0.03458 0.00265 0.00585 11 4YY 0.00132 -0.01196 -0.01030 0.00325 -0.00040 12 4ZZ -0.00234 0.00309 -0.01173 -0.00646 -0.01581 13 4XY 0.00680 0.01491 -0.00476 0.02187 -0.01017 14 4XZ -0.00151 0.00048 0.00464 -0.00613 0.00446 15 4YZ 0.00214 0.00034 -0.00490 0.00400 0.02876 16 2 C 1S 0.00395 -0.00104 -0.12430 0.06159 0.01581 17 2S -0.06992 0.03233 0.19785 -0.08521 0.06209 18 2PX -0.00100 -0.10025 0.18166 0.01915 0.03119 19 2PY -0.06360 -0.06888 -0.05404 -0.02447 0.01793 20 2PZ 0.15325 0.02446 -0.01114 -0.12678 0.05244 21 3S 0.58229 -0.54899 1.86997 -1.60800 -0.61652 22 3PX -0.57314 0.11440 0.87104 -0.55571 -0.24086 23 3PY 0.06452 -0.19046 -0.20394 0.11723 0.00614 24 3PZ 0.16455 0.07416 0.06216 -0.38597 0.35556 25 4XX -0.00657 -0.00547 -0.02783 -0.02040 0.01408 26 4YY 0.00796 -0.00837 0.00175 0.01196 0.00505 27 4ZZ -0.00183 0.00411 0.00622 0.00422 -0.00691 28 4XY -0.00140 -0.01835 0.00071 -0.01594 0.00513 29 4XZ -0.00300 -0.00500 -0.00371 0.00648 0.00112 30 4YZ 0.00158 -0.00367 -0.00085 -0.00459 0.01026 31 3 C 1S 0.01226 0.08032 0.05791 -0.00353 -0.01870 32 2S 0.01020 -0.16782 -0.11287 0.00417 0.05789 33 2PX 0.01600 -0.02226 0.00750 -0.02513 0.00460 34 2PY 0.02242 0.13344 -0.06698 -0.02805 0.06998 35 2PZ -0.07456 -0.01517 0.00164 0.02976 0.04151 36 3S -0.82096 -0.75047 -0.68830 -0.14612 0.24838 37 3PX 0.26548 -0.20374 -0.28244 0.65085 -0.00396 38 3PY -0.36091 0.92093 0.11775 -0.28496 0.16639 39 3PZ -0.17877 -0.01624 0.00705 0.24618 -0.13513 40 4XX -0.00119 0.01208 0.01978 0.01059 0.00036 41 4YY -0.01105 0.00686 -0.00931 -0.01038 0.00473 42 4ZZ 0.00606 -0.00356 -0.00122 -0.00175 -0.00039 43 4XY -0.00073 0.00109 0.01894 -0.00782 -0.00578 44 4XZ -0.00056 0.00386 0.00501 0.00021 -0.00667 45 4YZ 0.00767 0.00387 -0.00026 -0.01269 0.00652 46 4 C 1S 0.00909 -0.07248 0.00331 -0.01021 -0.00246 47 2S -0.05421 0.15734 0.04067 -0.00446 -0.00314 48 2PX 0.04646 -0.07188 0.10638 0.08234 -0.03901 49 2PY -0.00516 -0.03852 -0.05236 0.04794 0.01291 50 2PZ 0.07884 0.00170 0.00821 -0.00138 -0.01550 51 3S 0.52427 0.58166 -0.66341 0.69666 0.19251 52 3PX 0.53814 -0.57546 0.24665 0.51511 -0.24121 53 3PY 0.29330 -0.72735 -0.71344 0.41650 0.20017 54 3PZ 0.26586 -0.11553 -0.03533 0.03424 0.03186 55 4XX 0.00035 -0.00945 -0.02558 0.00811 0.00685 56 4YY 0.01150 -0.00794 0.01802 -0.00382 -0.00733 57 4ZZ -0.00524 0.00319 0.00485 -0.00163 0.00056 58 4XY -0.00108 0.01396 -0.00507 -0.00145 0.00432 59 4XZ -0.00250 -0.00257 -0.00632 0.00328 0.00718 60 4YZ -0.00118 0.00103 0.00023 -0.00084 -0.00009 61 5 C 1S -0.05112 0.04907 -0.04562 0.01781 0.01468 62 2S 0.12461 -0.11965 0.04384 -0.00745 -0.01366 63 2PX -0.02595 0.06082 0.12889 -0.08822 -0.02947 64 2PY 0.05696 0.02943 -0.03471 -0.00801 0.03184 65 2PZ -0.07258 -0.00338 0.02867 0.01706 -0.03252 66 3S 0.20428 -0.21662 1.42733 -0.59394 -0.42524 67 3PX -0.72161 0.81734 0.75530 -0.63159 -0.22476 68 3PY 0.36728 -0.01887 -0.18564 0.03711 0.15770 69 3PZ -0.23353 0.10695 0.13090 -0.04816 -0.07349 70 4XX -0.00369 -0.00503 0.00665 0.00187 -0.00181 71 4YY -0.01258 0.02072 -0.00654 -0.00186 0.00136 72 4ZZ 0.00504 -0.00421 -0.00247 0.00191 0.00163 73 4XY -0.01057 -0.00729 -0.00512 -0.00478 0.00189 74 4XZ 0.00193 0.00018 0.00078 -0.00230 0.00279 75 4YZ -0.00400 0.00047 -0.00136 -0.00092 0.00429 76 6 C 1S 0.07423 0.00193 0.00556 -0.00598 -0.00553 77 2S -0.15894 0.02656 0.02823 -0.02345 0.00415 78 2PX 0.03678 -0.09804 0.09778 -0.02877 -0.00006 79 2PY -0.10209 0.06063 0.03076 0.02135 -0.04228 80 2PZ 0.07313 0.00249 0.00905 -0.02351 0.03476 81 3S -0.61665 -0.56798 -0.62418 0.66308 0.25289 82 3PX 0.30148 -0.55622 0.42966 -0.14318 0.06215 83 3PY -0.98552 0.55396 0.60685 -0.21405 -0.27536 84 3PZ 0.13072 -0.02022 0.09523 -0.12020 0.07782 85 4XX 0.01733 0.00160 -0.01344 0.00630 0.00782 86 4YY 0.00011 -0.00819 0.00698 0.00025 -0.00417 87 4ZZ -0.00238 0.00360 0.00477 -0.00271 -0.00367 88 4XY 0.00835 -0.00765 0.01912 -0.01570 -0.00123 89 4XZ 0.00239 -0.00104 -0.00122 0.00287 -0.00690 90 4YZ 0.00520 -0.00173 0.00307 -0.00275 0.00094 91 7 C 1S -0.05671 -0.03626 0.04453 -0.03544 -0.00287 92 2S 0.11352 0.01721 -0.08601 0.06862 0.04659 93 2PX 0.05094 0.02344 0.03098 -0.02156 0.02543 94 2PY 0.12296 0.04070 0.03245 -0.11182 0.02934 95 2PZ -0.06195 -0.00293 0.02650 0.03915 -0.12730 96 3S 0.27827 1.15684 -0.53653 0.28389 -0.06939 97 3PX 0.53824 -0.27808 -0.29861 0.28358 0.26129 98 3PY 0.88112 -0.05643 -0.04550 -0.31550 0.02990 99 3PZ -0.04308 -0.10132 -0.01882 0.16627 -0.10148 100 4XX -0.01347 -0.00766 -0.00223 -0.00260 0.00583 101 4YY -0.00790 0.00842 0.00718 -0.01380 0.00394 102 4ZZ 0.00294 -0.00389 -0.00026 0.00561 -0.00163 103 4XY 0.00537 0.00936 -0.02171 0.00620 0.00039 104 4XZ -0.00592 -0.00102 -0.00148 0.00230 0.00661 105 4YZ -0.00888 -0.00022 -0.00049 0.00954 -0.00686 106 8 H 1S -0.06166 0.02569 -0.03618 -0.00118 0.00284 107 2S -1.21860 -0.22939 0.33912 0.01086 -0.13582 108 9 H 1S 0.03097 -0.02322 -0.01760 0.02769 -0.00594 109 2S 1.33942 -0.54963 -0.18332 -0.06436 0.19405 110 10 H 1S -0.02577 0.01979 0.03943 -0.00284 -0.00999 111 2S -0.91053 0.90063 0.40209 -0.40433 -0.13040 112 11 H 1S 0.02677 -0.03456 -0.02366 0.00958 0.00973 113 2S 0.45518 -1.22427 -0.08655 0.45394 -0.07909 114 12 H 1S -0.02782 0.07088 -0.03544 -0.03116 0.02849 115 2S -0.08038 1.44723 0.34986 -0.40092 0.13927 116 13 C 1S 0.04094 0.00823 -0.05239 -0.08527 0.02036 117 2S -0.03330 0.01502 0.07543 0.06553 -0.01729 118 2PX -0.04363 -0.00828 0.13530 0.18689 0.31715 119 2PY 0.04533 0.00870 0.01498 -0.10755 0.12311 120 2PZ 0.13555 0.08716 0.08810 0.25342 -0.12133 121 3S -0.80712 -0.17536 0.89576 1.91707 -0.43995 122 3PX -0.08365 0.06403 0.34047 0.85593 2.04391 123 3PY -0.10354 0.01150 0.02108 -0.59038 0.77454 124 3PZ 0.49843 0.37077 0.26640 1.42518 -0.61227 125 4XX 0.00726 0.00341 -0.02243 -0.00623 -0.01210 126 4YY -0.00099 0.00279 0.00968 -0.00533 0.00766 127 4ZZ 0.00492 0.00301 0.00845 -0.00293 0.00553 128 4XY 0.00895 0.01196 -0.00616 -0.00406 0.01253 129 4XZ -0.00425 0.00070 0.00321 -0.00185 -0.01045 130 4YZ -0.00089 -0.00484 -0.00683 0.01429 -0.00883 131 14 C 1S -0.02445 0.00957 0.02564 0.05678 0.02587 132 2S 0.02520 -0.00344 -0.05840 -0.00839 0.01012 133 2PX -0.00478 -0.02693 0.22652 0.10317 0.14265 134 2PY 0.04953 0.01107 0.08754 -0.02814 -0.00356 135 2PZ -0.14276 -0.04992 -0.07684 0.03017 0.13862 136 3S 0.38308 -0.22733 -0.22087 -1.38682 -0.94749 137 3PX -0.09832 0.03000 0.84065 1.34719 1.11862 138 3PY 0.15762 0.11527 0.15776 0.29287 -0.13546 139 3PZ -0.59150 -0.26121 -0.09297 -0.17843 0.80064 140 4XX -0.00459 0.00158 0.02367 0.03081 0.01408 141 4YY -0.00307 0.00071 -0.00904 -0.00896 -0.00767 142 4ZZ 0.00118 -0.00021 -0.01342 -0.01000 0.00041 143 4XY -0.00684 -0.00713 0.00731 0.00429 -0.01387 144 4XZ -0.00847 -0.00382 -0.00362 0.00130 0.02096 145 4YZ 0.00163 0.00162 -0.00394 0.01242 -0.00583 146 15 H 1S -0.02379 -0.02562 -0.00384 -0.05348 -0.07488 147 2S -0.65220 -0.18173 -0.59702 -0.26154 0.16287 148 16 H 1S 0.01698 0.00279 -0.05678 -0.02840 -0.04068 149 2S 0.46620 0.29971 0.04159 0.21254 -0.73326 150 17 H 1S 0.01699 0.03704 -0.04169 -0.02140 -0.01153 151 2S -0.04246 0.14311 -0.16168 -0.05124 -0.21757 152 18 H 1S 0.01984 0.00841 0.01918 -0.01868 0.01117 153 2S 0.82008 0.44913 0.08655 1.07937 0.05688 154 19 H 1S 0.00331 0.02955 -0.03627 -0.00493 0.05710 155 2S 0.46372 0.20441 0.10556 0.16481 0.79996 156 20 H 1S -0.00207 -0.07775 -0.03244 -0.00042 0.04035 157 2S 0.03825 -0.96602 0.01683 0.03131 0.06518 51 52 53 54 55 V V V V V Eigenvalues -- 0.31188 0.32752 0.33327 0.35533 0.46869 1 1 C 1S 0.01082 0.04407 0.03057 -0.01416 -0.00424 2 2S -0.00814 -0.00978 0.06453 0.01401 0.01548 3 2PX -0.01359 0.11698 -0.14930 -0.05409 0.19920 4 2PY -0.07761 -0.06647 0.05715 0.16498 0.22893 5 2PZ 0.01779 0.04329 -0.01761 0.00182 -0.03826 6 3S -0.29726 -1.34227 -1.18773 0.38134 0.38076 7 3PX 0.07653 1.59275 -0.05024 0.28757 -0.25391 8 3PY 0.01369 -0.30243 -0.31669 1.10722 -0.47665 9 3PZ 0.15777 0.36951 0.24221 -0.17334 -0.16405 10 4XX -0.00051 0.02873 0.00175 0.00769 0.02740 11 4YY 0.00431 -0.01397 -0.00057 -0.01571 -0.03639 12 4ZZ -0.00257 -0.00566 0.00694 0.00708 0.01677 13 4XY -0.00693 -0.00387 -0.00695 0.02738 0.04415 14 4XZ -0.00173 0.00718 -0.00456 0.00461 0.00800 15 4YZ -0.00153 -0.00718 -0.01118 0.00885 -0.00742 16 2 C 1S 0.00453 -0.00539 -0.06960 -0.01730 -0.00956 17 2S -0.01319 0.00965 0.01734 0.05035 0.05470 18 2PX 0.00644 0.31559 -0.05194 -0.14186 0.08940 19 2PY -0.17008 -0.12869 0.10318 -0.29371 0.15916 20 2PZ -0.02006 0.06257 -0.01473 -0.02914 0.00544 21 3S -0.12091 0.00264 2.43379 0.70922 -0.01998 22 3PX 0.04478 2.08002 0.05430 -0.77660 0.16583 23 3PY -0.99598 -0.89256 0.76409 -1.89544 1.69462 24 3PZ -0.09768 0.30512 -0.02927 -0.19533 0.13991 25 4XX 0.00361 0.00290 0.02100 0.00603 -0.03730 26 4YY -0.00494 -0.00050 -0.03944 0.00659 0.03480 27 4ZZ 0.00144 0.00354 0.00385 -0.00347 -0.00006 28 4XY 0.01306 -0.00476 -0.01136 -0.02746 -0.05742 29 4XZ 0.00217 -0.00370 0.00461 -0.00070 -0.00938 30 4YZ 0.00090 -0.00187 -0.00685 -0.00203 -0.00582 31 3 C 1S -0.01854 -0.00145 -0.04481 0.06741 0.01823 32 2S 0.03745 -0.01417 0.01904 -0.03619 -0.07132 33 2PX -0.14579 -0.04405 -0.25266 0.00050 -0.16435 34 2PY 0.11534 0.05246 -0.06079 -0.19780 -0.07652 35 2PZ -0.01712 -0.01626 -0.05784 0.00758 -0.05581 36 3S 0.08069 0.46262 1.66132 -2.35955 0.20344 37 3PX -1.30323 -0.25196 -1.44580 -0.60493 1.94526 38 3PY 0.58419 0.66861 -0.18243 -1.28133 0.50002 39 3PZ -0.16484 -0.00099 -0.21504 -0.23825 0.40015 40 4XX 0.00180 0.01565 -0.02992 0.01121 0.05148 41 4YY -0.00807 -0.01615 0.02242 -0.00110 -0.02830 42 4ZZ 0.00167 -0.00010 0.00072 -0.00076 -0.01213 43 4XY 0.02520 -0.01780 0.01254 0.02871 -0.01644 44 4XZ 0.00241 0.00311 -0.00427 0.00312 0.01040 45 4YZ 0.00253 -0.00297 0.00169 0.00712 -0.00553 46 4 C 1S 0.07154 -0.04341 0.04146 0.00444 -0.00917 47 2S -0.07246 0.07613 -0.04515 0.00893 0.04201 48 2PX -0.05077 0.07202 -0.21024 0.05454 0.32541 49 2PY -0.19090 0.15726 0.09951 0.02684 -0.21045 50 2PZ -0.02262 0.02580 -0.02440 0.00511 0.03602 51 3S -2.26595 0.65556 -1.26166 -0.59179 0.25479 52 3PX -0.54335 -0.18339 -1.47622 0.98518 0.84252 53 3PY -0.81681 1.18097 0.75083 -0.31130 -0.57051 54 3PZ -0.15797 0.06094 -0.21105 0.15819 0.09341 55 4XX 0.01304 0.01337 0.02309 -0.02544 0.02336 56 4YY -0.00632 -0.02364 -0.01908 0.02561 -0.02719 57 4ZZ 0.00014 0.00308 -0.00061 -0.00136 0.00405 58 4XY -0.02012 -0.00393 -0.01664 -0.03415 -0.00261 59 4XZ 0.00065 0.00053 0.00226 -0.00547 0.00326 60 4YZ -0.00397 -0.00250 -0.00460 -0.00360 -0.00328 61 5 C 1S 0.00713 0.07009 0.02903 -0.00771 0.01237 62 2S -0.00844 -0.07890 -0.01109 0.01917 -0.01226 63 2PX -0.06500 -0.20433 0.02809 -0.00266 -0.00562 64 2PY -0.18311 0.03126 0.04260 -0.25730 0.12156 65 2PZ -0.02109 -0.03216 0.01347 -0.02421 0.00143 66 3S -0.17453 -1.94292 -1.37454 0.02078 -0.32717 67 3PX -0.50950 -1.13453 0.10160 0.08780 -0.61794 68 3PY -1.70927 0.43868 0.01613 -0.95292 -1.69772 69 3PZ -0.20596 -0.15925 0.02564 -0.06052 -0.22288 70 4XX 0.01631 -0.00636 -0.02685 -0.01318 0.01803 71 4YY -0.01664 0.01438 0.02762 0.01104 -0.01498 72 4ZZ 0.00121 -0.00059 0.00030 0.00039 -0.00048 73 4XY 0.04153 -0.00499 0.02117 -0.00595 0.03306 74 4XZ 0.00587 -0.00210 -0.00422 -0.00264 0.00696 75 4YZ 0.00533 -0.00061 0.00532 0.00093 0.00494 76 6 C 1S -0.08014 -0.01565 0.02386 0.02897 -0.01639 77 2S 0.08272 0.03624 -0.01873 -0.04396 0.02395 78 2PX -0.01467 -0.00389 -0.20378 -0.16035 -0.31808 79 2PY -0.22534 -0.08992 -0.05932 0.07800 -0.11205 80 2PZ -0.02222 -0.01664 -0.04126 -0.01621 -0.06347 81 3S 2.46650 0.08418 -1.09491 -0.38387 0.37005 82 3PX 0.11582 -0.93302 -1.15024 -1.56605 -0.90060 83 3PY -1.16682 -0.59953 -0.34385 0.35732 -0.58688 84 3PZ -0.07332 -0.19870 -0.23286 -0.22668 -0.19570 85 4XX -0.02010 0.01855 0.02076 0.00570 -0.02104 86 4YY 0.01269 -0.02536 -0.02082 0.00054 0.02210 87 4ZZ -0.00050 0.00279 0.00107 -0.00271 0.00076 88 4XY -0.00989 -0.02395 0.01084 -0.03329 0.01519 89 4XZ -0.00383 0.00344 0.00602 -0.00322 -0.00607 90 4YZ -0.00072 -0.00714 0.00012 -0.00515 0.00526 91 7 C 1S 0.01307 -0.04166 0.00455 -0.07707 0.00237 92 2S -0.04206 0.01991 -0.02237 0.09244 0.10493 93 2PX 0.16200 -0.14318 -0.15070 -0.12615 0.18099 94 2PY 0.02354 -0.05625 0.19645 -0.06797 -0.19044 95 2PZ 0.04072 0.00023 0.00931 -0.05832 -0.02918 96 3S 0.10734 1.60156 0.03422 2.56091 -0.79853 97 3PX 1.42292 -0.62489 -1.31232 -0.55218 -1.36109 98 3PY -0.26682 -0.96174 1.47344 -0.51540 1.39023 99 3PZ 0.23385 -0.18844 -0.08968 -0.14505 -0.09325 100 4XX 0.02030 0.01817 -0.03058 -0.00834 -0.02568 101 4YY -0.01926 -0.02233 0.02292 0.00726 0.02060 102 4ZZ 0.00002 -0.00033 0.00135 0.00227 0.01170 103 4XY 0.02014 -0.00062 0.00708 0.02964 0.01698 104 4XZ 0.00511 0.00063 -0.00561 0.00174 -0.00189 105 4YZ 0.00293 -0.00323 0.00476 0.00351 0.00425 106 8 H 1S 0.05727 0.01145 0.02369 0.09760 0.06518 107 2S -0.66954 0.65654 -0.17833 0.12545 0.10105 108 9 H 1S 0.08858 -0.02394 -0.09211 0.06687 0.02509 109 2S 0.56348 0.27890 0.17179 -0.54924 0.05377 110 10 H 1S -0.00035 -0.04251 -0.13656 -0.03721 0.02125 111 2S -0.10215 -0.68639 0.31886 0.22326 -0.13779 112 11 H 1S -0.08787 -0.02903 -0.05859 -0.10266 -0.03440 113 2S -0.45458 0.54027 -0.08901 0.44061 0.11453 114 12 H 1S -0.06185 0.02131 0.04302 -0.08639 -0.02237 115 2S 0.78678 0.58182 -0.17032 -0.50375 -0.04080 116 13 C 1S -0.00833 0.00244 -0.02809 0.01184 0.01007 117 2S -0.00867 -0.00576 0.07645 0.01467 0.10908 118 2PX 0.02569 -0.00565 0.03056 -0.04329 -0.19537 119 2PY -0.02795 -0.04261 0.07858 0.06329 0.13740 120 2PZ 0.02021 -0.05758 0.13629 -0.02399 0.07127 121 3S 0.17819 -0.25161 0.61572 -0.68985 -0.25235 122 3PX -0.12211 -0.51122 -0.04975 0.22065 0.35129 123 3PY -0.08068 0.22875 -0.22910 0.12664 0.05120 124 3PZ 0.10013 -0.40527 0.42589 -0.55415 -0.08726 125 4XX -0.00071 -0.01971 0.01167 -0.01615 -0.00061 126 4YY 0.00062 0.00883 0.00054 -0.00338 0.00578 127 4ZZ -0.00422 0.00468 0.00197 0.01167 0.02930 128 4XY -0.00448 -0.00948 0.00467 0.00352 0.02477 129 4XZ 0.00325 0.00629 0.00254 -0.00392 -0.01585 130 4YZ 0.00214 -0.01090 0.00190 0.00349 -0.02112 131 14 C 1S 0.00438 -0.00696 0.01268 -0.00824 -0.00591 132 2S -0.00666 -0.05946 -0.01076 -0.01556 0.00147 133 2PX 0.00021 0.10420 0.02810 0.06038 0.05071 134 2PY 0.01915 0.10556 -0.00308 -0.00794 -0.02988 135 2PZ -0.00813 -0.08529 -0.03657 0.00987 0.02739 136 3S -0.00377 0.60333 -0.16259 0.19811 -0.11236 137 3PX 0.05203 -0.28801 0.36041 -0.20037 -0.16204 138 3PY 0.04382 -0.04097 0.02749 -0.07769 -0.02498 139 3PZ -0.05813 -0.02264 -0.11744 0.15153 -0.01262 140 4XX 0.00504 0.00038 0.01669 -0.00587 -0.02312 141 4YY -0.00067 0.00057 -0.00562 -0.00249 0.00317 142 4ZZ -0.00181 -0.00647 -0.00844 0.00491 0.00808 143 4XY 0.00401 0.01244 0.00129 -0.00317 -0.02043 144 4XZ -0.00242 -0.00815 -0.00513 0.00053 0.00366 145 4YZ 0.00043 -0.01127 -0.00170 -0.00275 0.00132 146 15 H 1S 0.00743 0.06106 0.00166 0.00927 -0.03957 147 2S -0.06874 -0.24180 -0.12991 0.07210 0.09641 148 16 H 1S -0.00637 -0.03598 -0.03197 0.01305 0.05381 149 2S 0.03933 -0.00798 0.12812 -0.12546 0.02463 150 17 H 1S -0.01002 -0.02793 -0.03021 -0.00114 0.05693 151 2S 0.03657 0.02585 -0.11957 -0.06080 -0.05232 152 18 H 1S -0.00280 0.02407 0.00222 0.01221 0.02887 153 2S 0.03534 -0.43913 0.26502 -0.22437 0.03017 154 19 H 1S -0.02007 -0.04690 -0.02106 0.04426 0.08237 155 2S -0.04085 -0.24109 0.18550 -0.20248 0.06703 156 20 H 1S 0.00985 -0.09117 0.01646 -0.02273 -0.17977 157 2S -0.03098 -0.19676 0.32254 0.86932 -0.15620 56 57 58 59 60 V V V V V Eigenvalues -- 0.50852 0.51643 0.53292 0.54631 0.55312 1 1 C 1S -0.01390 -0.00412 -0.00579 0.00005 0.00954 2 2S 0.11850 0.04529 0.15649 -0.12784 0.04903 3 2PX -0.60514 0.14904 0.04785 -0.08393 0.01913 4 2PY 0.04105 0.14043 0.21945 -0.14499 0.13600 5 2PZ 0.01814 0.07054 -0.28200 0.19690 -0.31832 6 3S -0.41764 -0.51369 -0.57839 0.98307 0.15453 7 3PX 1.17905 0.17490 0.30127 -0.44898 -0.11361 8 3PY -0.04248 -0.52519 -0.83087 0.59086 -0.58148 9 3PZ -0.04210 -0.07597 0.56257 -0.37932 0.56102 10 4XX 0.01926 -0.03701 -0.00721 0.00540 0.02577 11 4YY -0.01002 -0.00867 0.01258 -0.00313 0.00695 12 4ZZ -0.00300 0.02791 0.00102 -0.01042 -0.00885 13 4XY 0.02003 -0.02350 -0.02217 -0.00134 -0.01208 14 4XZ 0.00139 0.03273 0.00901 0.01204 -0.02623 15 4YZ -0.00147 0.01884 -0.02568 0.01419 -0.04133 16 2 C 1S 0.08362 -0.01448 0.01245 -0.05968 -0.01011 17 2S -0.12466 -0.16559 -0.20028 -0.01285 -0.11509 18 2PX 0.04682 -0.08612 0.09666 -0.01508 0.15058 19 2PY -0.01875 0.01721 0.04878 0.03131 0.05594 20 2PZ 0.11378 0.36902 -0.16040 0.02652 -0.06802 21 3S -1.28367 0.69086 0.15406 2.21125 0.60431 22 3PX 1.37828 0.42806 0.94954 -2.40694 -0.19381 23 3PY -0.58991 0.96006 1.36927 -0.05267 1.21318 24 3PZ 0.17845 -0.00453 0.21760 -0.37958 -0.03606 25 4XX 0.07759 -0.00799 0.01507 0.00893 0.01335 26 4YY 0.00549 -0.02597 -0.03080 -0.02379 -0.03309 27 4ZZ -0.03772 -0.00335 -0.00795 0.00800 0.00718 28 4XY -0.04103 0.00788 0.00701 -0.00687 0.00763 29 4XZ 0.01833 -0.03825 0.00274 0.00140 0.01890 30 4YZ -0.00180 0.00481 0.00111 -0.00755 -0.00291 31 3 C 1S -0.04055 0.01008 -0.01551 0.06450 -0.00384 32 2S 0.01894 -0.09512 -0.10563 -0.14414 -0.14479 33 2PX 0.05964 0.01961 0.24013 0.02892 0.13455 34 2PY -0.00088 -0.04766 0.04680 -0.17728 -0.02093 35 2PZ 0.10461 0.26890 -0.40254 0.10513 -0.02607 36 3S 1.33137 -0.08042 0.67557 -2.63000 -0.03055 37 3PX -0.32034 0.90667 0.86109 0.30149 0.70501 38 3PY 1.15777 0.20155 0.72007 -1.90281 0.00826 39 3PZ -0.05739 -0.09700 0.63292 -0.25165 0.30021 40 4XX -0.02182 -0.00371 -0.03037 -0.03798 -0.04602 41 4YY 0.02320 -0.01430 0.00031 0.02301 0.00907 42 4ZZ -0.00349 0.00485 0.00686 -0.01041 0.00095 43 4XY -0.02943 -0.00355 -0.00490 -0.02357 -0.00793 44 4XZ -0.00706 0.00331 0.00619 -0.01032 -0.01607 45 4YZ 0.00246 0.01882 -0.01300 0.00835 -0.02030 46 4 C 1S 0.02999 -0.00961 0.00925 -0.06743 -0.00152 47 2S -0.09489 -0.01962 -0.09876 -0.05189 -0.14739 48 2PX -0.07302 0.02659 -0.00561 -0.04113 -0.18095 49 2PY -0.14104 -0.05161 -0.03776 0.06377 -0.03811 50 2PZ 0.01830 0.17496 -0.28684 -0.07928 0.27049 51 3S -1.26167 0.26245 -0.25120 2.67855 0.54230 52 3PX -0.61121 0.80151 0.77586 1.10832 0.91312 53 3PY -0.68649 -0.42880 -1.01281 1.64025 -0.30177 54 3PZ -0.16934 0.02681 0.22151 0.40387 -0.18041 55 4XX -0.00697 -0.01122 -0.01452 -0.00898 -0.01419 56 4YY -0.00824 0.00074 0.00770 -0.00784 0.00375 57 4ZZ -0.00308 0.00456 -0.00795 0.00828 -0.00381 58 4XY 0.03704 -0.00327 0.01681 0.02519 0.02114 59 4XZ 0.00553 0.00211 -0.01916 0.00715 -0.00601 60 4YZ 0.00660 0.00268 -0.00514 -0.00024 0.01813 61 5 C 1S -0.03998 0.00937 -0.00422 0.07473 0.01639 62 2S -0.04800 -0.04037 -0.08641 -0.17276 -0.14513 63 2PX -0.01601 -0.08001 -0.05324 -0.19621 -0.21485 64 2PY 0.09834 -0.09827 -0.14724 0.03553 -0.19034 65 2PZ 0.04750 0.14023 -0.30233 -0.13589 0.31256 66 3S 1.73293 -0.26495 0.38933 -2.40365 -0.33614 67 3PX 1.17649 -0.35112 0.01824 -1.66743 -0.31625 68 3PY -0.17453 -0.78380 -1.04363 0.78456 -0.43008 69 3PZ 0.15278 -0.23979 0.14096 -0.14934 -0.35130 70 4XX 0.01678 0.00213 0.01128 0.02848 0.00841 71 4YY -0.02252 -0.00612 -0.01636 -0.02543 -0.02536 72 4ZZ -0.00106 -0.00018 -0.00442 -0.01684 0.00048 73 4XY -0.00267 -0.00014 -0.00883 -0.01628 -0.01599 74 4XZ 0.00350 0.00308 -0.00885 0.00239 0.02214 75 4YZ -0.00226 -0.00190 -0.00123 -0.00206 -0.00892 76 6 C 1S 0.03748 -0.01142 -0.00258 -0.07563 -0.02508 77 2S -0.12272 -0.01611 -0.07628 -0.01295 -0.09587 78 2PX -0.14415 -0.07715 0.00530 0.09240 -0.02244 79 2PY 0.14012 -0.02987 0.06820 -0.01454 0.02607 80 2PZ 0.02724 0.15882 -0.26509 -0.09846 0.33088 81 3S -1.30296 0.23199 -0.22097 2.61685 0.61816 82 3PX 0.24506 -0.82062 -1.17204 0.91098 -0.53705 83 3PY 1.08066 -0.46854 -0.26460 -1.75963 -0.69727 84 3PZ 0.10569 -0.25817 -0.02003 0.10121 -0.43075 85 4XX -0.03396 -0.00835 -0.02173 -0.03084 -0.03319 86 4YY 0.02611 -0.00186 -0.00089 0.00712 0.00105 87 4ZZ -0.00884 0.00526 0.00458 0.00886 0.00567 88 4XY -0.00883 -0.00850 -0.02642 -0.02021 -0.02575 89 4XZ -0.00267 0.00417 -0.00592 -0.01837 -0.00826 90 4YZ -0.00059 -0.00835 0.00410 0.00463 -0.02193 91 7 C 1S -0.05162 0.00924 -0.00285 0.08357 0.02539 92 2S 0.03567 -0.10604 -0.12088 -0.15476 -0.14599 93 2PX 0.14251 -0.10339 -0.00674 0.18627 0.00568 94 2PY -0.15843 0.03099 0.09690 0.11375 0.14829 95 2PZ 0.11242 0.28803 -0.18167 -0.17078 0.21461 96 3S 1.40908 -0.14354 0.21025 -2.48389 -0.70045 97 3PX -0.62784 -0.59438 -1.07999 1.49369 -0.26382 98 3PY -1.00835 0.68758 0.51270 1.05420 0.75076 99 3PZ -0.27380 -0.32503 0.01130 0.51716 -0.09970 100 4XX -0.01968 -0.00561 -0.00841 0.00971 0.00478 101 4YY 0.00521 -0.00901 -0.01850 0.00692 -0.01459 102 4ZZ 0.00428 -0.00521 0.00087 -0.01835 -0.00718 103 4XY 0.04077 0.01254 0.02466 0.03251 0.02538 104 4XZ -0.00475 -0.01135 0.00403 0.01994 -0.00374 105 4YZ 0.00217 -0.01778 0.00276 0.00782 0.01674 106 8 H 1S 0.03986 0.02937 0.06206 0.25132 0.11890 107 2S 0.35719 -0.00398 0.11407 -0.80074 -0.21446 108 9 H 1S 0.15042 -0.00270 0.04985 -0.01305 0.03149 109 2S -0.50570 0.05985 -0.11378 0.66254 0.10751 110 10 H 1S 0.07671 0.01867 0.05574 0.20722 0.10634 111 2S 0.36574 -0.11119 0.01974 -0.84504 -0.21784 112 11 H 1S 0.14382 -0.01873 0.05810 0.00959 0.08115 113 2S -0.49249 0.09865 -0.14312 0.67734 0.00891 114 12 H 1S 0.08093 -0.02466 -0.00482 0.18913 0.04901 115 2S 0.38420 -0.03581 0.11345 -0.87435 -0.20474 116 13 C 1S -0.00949 0.02442 0.03491 -0.01770 -0.00843 117 2S 0.08883 -0.00038 0.05947 0.04396 0.06065 118 2PX 0.04729 0.29824 0.10747 -0.07850 -0.08870 119 2PY 0.08146 0.19096 0.02219 0.47685 -0.09651 120 2PZ 0.04479 -0.09786 0.00571 0.12458 0.12789 121 3S -0.50101 0.39271 0.31965 -0.32068 0.20056 122 3PX -0.07150 -0.56213 -0.34483 0.09903 0.03812 123 3PY 0.16666 -0.11558 0.08999 -0.57746 0.21636 124 3PZ -0.30060 0.04749 0.03752 -0.06302 -0.14589 125 4XX -0.01811 0.09482 0.08270 -0.02821 -0.01142 126 4YY 0.00700 -0.01986 -0.02248 -0.00117 0.01836 127 4ZZ 0.00827 -0.02428 0.01476 0.00851 0.00591 128 4XY -0.01976 0.01588 0.02430 -0.01451 0.01177 129 4XZ 0.02327 0.01691 -0.00411 0.02185 -0.04742 130 4YZ 0.01197 -0.01128 -0.04028 0.02607 -0.02270 131 14 C 1S 0.00600 -0.00041 -0.00438 0.00252 0.00360 132 2S -0.08639 0.10874 0.08274 -0.02532 -0.07399 133 2PX 0.18500 -0.48296 -0.34062 0.05730 0.19202 134 2PY 0.22163 -0.01131 0.12707 0.06310 0.11426 135 2PZ -0.22490 -0.16773 -0.12585 0.03549 0.23556 136 3S 0.30381 0.11908 0.09370 0.01889 0.02911 137 3PX -0.16072 0.66742 0.45911 -0.14319 -0.20653 138 3PY -0.39556 -0.03158 -0.26479 -0.08379 -0.24558 139 3PZ 0.41550 0.24535 0.17022 -0.08582 -0.37225 140 4XX 0.02063 0.04370 0.01812 0.00613 -0.02129 141 4YY -0.00064 -0.00939 -0.00935 -0.01199 -0.02175 142 4ZZ -0.02294 -0.01372 -0.00128 0.00748 0.02862 143 4XY 0.03218 0.00145 0.00746 0.00542 -0.00585 144 4XZ -0.02590 0.02386 0.00723 -0.01550 0.01427 145 4YZ -0.04389 -0.00753 -0.01772 -0.00807 0.01016 146 15 H 1S 0.22901 -0.04136 0.01155 0.09559 -0.07923 147 2S -0.06373 0.05316 0.02449 0.00952 0.05122 148 16 H 1S -0.16242 -0.09047 -0.05323 0.03346 0.17670 149 2S -0.04983 -0.03775 -0.02713 0.08347 0.02396 150 17 H 1S -0.11810 -0.07892 -0.09218 -0.07487 -0.04080 151 2S -0.06057 -0.07032 -0.08965 -0.01603 -0.05135 152 18 H 1S 0.08310 -0.05372 0.11334 0.02037 -0.09542 153 2S -0.12189 -0.12254 -0.02873 0.05113 -0.04683 154 19 H 1S -0.03231 0.17006 -0.10391 0.04396 -0.15449 155 2S -0.05721 0.00728 -0.05899 0.04574 0.04791 156 20 H 1S -0.12340 -0.02001 -0.00209 0.02467 -0.01690 157 2S -0.00372 -0.23219 -0.36828 0.16836 -0.23679 61 62 63 64 65 V V V V V Eigenvalues -- 0.56837 0.57483 0.58136 0.59377 0.60225 1 1 C 1S 0.00990 0.00369 -0.00814 -0.00219 -0.00277 2 2S -0.05364 0.00771 0.07074 0.04666 0.03626 3 2PX 0.19322 0.04297 -0.02481 0.25764 -0.09039 4 2PY 0.02418 -0.07389 0.12631 -0.08348 0.01852 5 2PZ 0.15473 0.03010 -0.26037 -0.06871 0.01347 6 3S -0.27345 -0.74484 0.21140 -0.44380 -0.07784 7 3PX 0.13618 0.35828 0.11808 -0.19618 0.10347 8 3PY 0.03575 -0.20175 0.21191 0.42375 0.00408 9 3PZ -0.13358 0.07051 0.42686 0.28838 -0.03779 10 4XX 0.00582 -0.02740 -0.00912 0.00845 -0.01035 11 4YY -0.01642 0.00132 0.00903 0.01663 0.01082 12 4ZZ 0.01553 0.01533 0.00109 -0.02460 0.00239 13 4XY -0.00598 0.00222 0.00896 -0.00005 0.00625 14 4XZ 0.01107 0.00361 0.00351 0.00965 -0.00649 15 4YZ 0.01633 -0.01023 -0.01335 0.00889 0.00136 16 2 C 1S -0.01730 0.03561 -0.02110 0.00271 0.04297 17 2S -0.38417 -0.09698 0.05449 -0.10472 -0.24226 18 2PX 0.15782 0.01470 -0.24412 0.16503 0.07634 19 2PY -0.19361 -0.02638 -0.38201 -0.11697 -0.01739 20 2PZ 0.06012 0.04705 -0.10716 -0.12378 0.00181 21 3S 0.02426 -1.13602 1.24690 -0.86388 0.79733 22 3PX 0.03049 1.53571 -0.95071 0.46995 -0.08980 23 3PY -0.83562 -0.27203 -1.33967 -0.91808 0.03024 24 3PZ 0.06146 0.22216 -0.33257 -0.06341 0.01087 25 4XX -0.04497 -0.02234 0.01249 -0.04639 -0.00472 26 4YY -0.08120 0.01549 0.01624 -0.01222 0.07119 27 4ZZ 0.03038 -0.00933 -0.00805 0.01468 -0.03440 28 4XY -0.01661 0.00519 -0.03630 -0.00434 0.01925 29 4XZ -0.03694 -0.01146 0.00029 0.01244 0.00938 30 4YZ -0.00892 0.00199 0.00270 -0.02300 0.00989 31 3 C 1S 0.00087 -0.04621 0.07262 -0.01705 -0.01952 32 2S -0.37512 0.06494 0.01749 -0.14430 -0.17296 33 2PX -0.16417 -0.03230 0.02854 -0.10070 0.35129 34 2PY -0.22678 0.13015 -0.17288 -0.07201 0.18782 35 2PZ -0.02391 0.04650 -0.25134 0.06528 0.11952 36 3S 0.79445 1.61780 -1.37664 1.02445 -0.19162 37 3PX -0.74318 -0.45145 -1.34819 -0.87336 -0.25400 38 3PY 0.19118 1.13043 -1.34241 0.48596 -0.49339 39 3PZ -0.22558 -0.05984 -0.01920 -0.09815 -0.13246 40 4XX -0.03257 0.01191 0.05461 0.00532 -0.03262 41 4YY -0.02144 -0.02655 0.03789 -0.02523 -0.06872 42 4ZZ 0.00464 0.01527 -0.03590 0.00205 0.03186 43 4XY -0.00788 0.01206 0.00880 0.00607 -0.00377 44 4XZ -0.00188 0.00257 0.02660 -0.01773 -0.01612 45 4YZ 0.00464 0.00383 -0.00543 -0.00104 -0.00737 46 4 C 1S 0.01541 0.03886 -0.06621 0.02229 -0.05065 47 2S -0.31034 0.03274 0.15405 -0.19374 -0.20017 48 2PX -0.00613 -0.02060 0.15607 -0.05684 -0.15352 49 2PY -0.13565 0.03189 0.07544 -0.11896 0.28079 50 2PZ -0.16143 -0.04255 0.02748 0.36560 0.02584 51 3S -0.40579 -1.47991 1.02143 -0.81632 0.68133 52 3PX -0.94271 -0.87134 -0.66723 -1.03945 0.43523 53 3PY 0.26715 -0.78478 1.86047 0.03202 -0.10455 54 3PZ 0.03121 -0.15339 -0.01385 -0.57336 0.03732 55 4XX -0.02525 0.00647 -0.01425 -0.02192 -0.05522 56 4YY -0.03265 0.00672 -0.02919 -0.02585 -0.07804 57 4ZZ 0.00535 -0.00482 0.02355 0.01102 0.04514 58 4XY 0.02898 -0.01504 0.00716 0.00023 -0.01509 59 4XZ -0.00435 0.00272 -0.02205 0.00734 -0.01804 60 4YZ -0.00667 -0.00470 -0.00160 0.02238 -0.01225 61 5 C 1S -0.02888 -0.03742 0.03426 -0.04030 0.05225 62 2S -0.24480 0.08246 0.00824 -0.14526 -0.34720 63 2PX 0.01973 0.09601 0.02830 -0.01212 -0.15893 64 2PY 0.21143 -0.05379 0.41243 0.09300 0.03592 65 2PZ -0.16139 -0.05745 0.13018 0.34309 -0.02916 66 3S 0.84312 1.34576 -1.17857 1.09255 0.08313 67 3PX 0.61374 0.99635 -0.59177 0.89056 -0.37700 68 3PY 0.31776 -0.00252 1.35159 0.39872 0.07631 69 3PZ 0.26206 0.22317 -0.07833 -0.12312 -0.05406 70 4XX -0.01105 -0.01391 -0.00039 -0.03426 -0.03468 71 4YY -0.05688 0.01845 0.01387 -0.03546 0.05276 72 4ZZ 0.01336 0.00624 -0.00695 0.02528 -0.02302 73 4XY -0.01005 0.00552 -0.00871 -0.00505 0.02238 74 4XZ -0.01860 -0.00872 0.00851 0.01106 -0.00142 75 4YZ -0.00530 0.00242 0.00247 -0.02221 0.00833 76 6 C 1S 0.04310 0.02854 -0.00425 0.03715 -0.04999 77 2S -0.38556 0.03405 -0.01027 -0.19226 -0.20363 78 2PX -0.09117 0.07171 -0.13703 0.07136 -0.24930 79 2PY 0.20311 0.00885 0.00924 0.12930 -0.19474 80 2PZ -0.12705 -0.04656 0.11093 0.01603 -0.09254 81 3S -0.34663 -1.45141 1.15562 -0.86771 0.67763 82 3PX 0.44989 -0.26483 1.98679 0.21648 0.42255 83 3PY 0.64554 1.04972 -0.27949 0.92979 -0.08468 84 3PZ 0.27211 0.09019 0.19645 0.04170 0.10329 85 4XX -0.02525 0.00697 0.02792 -0.00494 -0.04614 86 4YY 0.00067 -0.00928 0.01627 0.00094 -0.08602 87 4ZZ -0.00872 0.00177 -0.01404 -0.01547 0.04424 88 4XY -0.00556 0.00235 0.01930 0.00217 0.00359 89 4XZ 0.00627 0.00113 0.01549 -0.03047 -0.01967 90 4YZ 0.00431 0.00376 -0.00423 0.00380 -0.00828 91 7 C 1S -0.03914 -0.03295 -0.00873 -0.02647 -0.02061 92 2S -0.36968 0.04201 0.01208 -0.10534 -0.17510 93 2PX -0.05365 -0.05585 0.00992 0.06142 0.25434 94 2PY 0.13782 -0.15894 -0.16054 -0.01506 -0.31619 95 2PZ 0.10933 -0.03837 0.12577 -0.52300 -0.01110 96 3S 1.20205 1.29836 -0.93516 1.22335 -0.18941 97 3PX 0.26602 -0.65598 1.75161 -0.17202 -0.06355 98 3PY -0.82617 -0.81717 -0.41220 -1.05271 0.56634 99 3PZ -0.20284 -0.16679 0.15399 0.56206 0.05373 100 4XX -0.06685 0.00799 -0.04077 -0.01570 -0.03789 101 4YY -0.04186 -0.01841 -0.01681 -0.02324 -0.06648 102 4ZZ 0.02277 0.00867 0.01339 0.02018 0.03400 103 4XY 0.02430 -0.02022 0.02927 -0.00579 -0.01111 104 4XZ -0.02471 0.00129 -0.01860 0.02011 -0.01258 105 4YZ -0.01198 -0.00898 0.00063 0.02300 -0.00841 106 8 H 1S -0.12002 -0.10516 -0.05245 -0.04027 -0.26694 107 2S -0.01225 0.58824 -0.41022 0.34724 -0.08368 108 9 H 1S 0.09173 -0.02095 0.03357 0.04816 -0.34080 109 2S -0.34970 -0.37680 0.32844 -0.40983 0.17197 110 10 H 1S -0.05452 -0.11363 0.06516 -0.13627 -0.03035 111 2S 0.13971 0.45279 -0.33864 0.28084 -0.18853 112 11 H 1S 0.01848 0.00950 -0.15066 -0.01482 -0.34075 113 2S -0.28221 -0.41059 0.47747 -0.33830 0.17311 114 12 H 1S -0.00015 -0.14391 0.17554 -0.06880 -0.25844 115 2S 0.01445 0.61753 -0.37858 0.30458 -0.08785 116 13 C 1S -0.01645 -0.01336 0.02483 0.02670 -0.00345 117 2S -0.13725 -0.00539 -0.01324 0.01823 0.02085 118 2PX 0.19701 -0.08378 0.03838 -0.13586 -0.01164 119 2PY -0.11229 0.45484 -0.08914 0.23029 -0.04727 120 2PZ -0.07890 0.23291 -0.02558 -0.07777 -0.00389 121 3S 0.13198 0.21535 0.11196 0.09453 -0.06066 122 3PX -0.39922 -0.06080 -0.08669 0.22366 0.04331 123 3PY 0.16345 -0.28600 0.28443 -0.49016 0.04421 124 3PZ -0.14857 -0.17772 -0.19136 0.25624 -0.00643 125 4XX -0.03710 0.01493 0.05821 0.03150 -0.00141 126 4YY 0.02063 0.00690 -0.02127 -0.03416 0.00279 127 4ZZ -0.03640 -0.02654 -0.00049 0.04847 -0.00059 128 4XY -0.00810 -0.00846 0.00528 0.01519 -0.00110 129 4XZ -0.02893 -0.02098 -0.01504 0.01875 -0.00071 130 4YZ 0.00829 0.00965 -0.01998 -0.02027 0.00566 131 14 C 1S 0.00643 0.00128 -0.00725 -0.00946 0.00129 132 2S -0.09669 -0.00120 0.07244 0.11615 -0.00818 133 2PX 0.17077 -0.08381 -0.26308 -0.26080 0.04173 134 2PY -0.10124 0.32529 0.22752 -0.05682 -0.03359 135 2PZ 0.13915 0.37148 0.02484 -0.09874 -0.01576 136 3S 0.27246 0.02403 0.05374 -0.23137 -0.01484 137 3PX -0.26277 0.24192 0.38897 0.29297 -0.04238 138 3PY 0.15226 -0.68294 -0.53866 0.20456 0.07456 139 3PZ -0.24333 -0.74623 -0.01156 0.13209 0.04181 140 4XX 0.00195 -0.00551 0.00140 -0.00863 0.00002 141 4YY -0.01092 -0.06415 -0.02686 0.01371 0.00600 142 4ZZ 0.00330 0.07126 0.03061 0.00010 -0.00593 143 4XY -0.01006 0.02029 0.01831 -0.00408 -0.00102 144 4XZ 0.03027 0.01424 0.01195 -0.01823 -0.00177 145 4YZ 0.02432 -0.00062 -0.01383 -0.00499 0.00052 146 15 H 1S -0.12886 -0.01221 0.01374 0.04683 -0.00062 147 2S 0.02778 0.00268 0.06705 -0.05147 -0.01406 148 16 H 1S 0.10219 0.31383 0.06714 -0.06559 -0.02220 149 2S -0.01739 0.14471 -0.06581 -0.00782 -0.00910 150 17 H 1S 0.03655 -0.33632 -0.18287 0.02913 0.02719 151 2S 0.03860 -0.18640 -0.13549 0.02888 0.02431 152 18 H 1S -0.24913 -0.21412 0.01251 0.25867 -0.00725 153 2S -0.17805 -0.02573 -0.12639 0.08498 0.01805 154 19 H 1S 0.06163 0.07325 -0.04660 -0.11697 0.00004 155 2S -0.05925 0.03809 -0.19911 -0.10942 0.01331 156 20 H 1S -0.05461 -0.08808 0.00660 0.06941 0.02255 157 2S 0.12981 -0.17676 0.24837 0.19231 0.01869 66 67 68 69 70 V V V V V Eigenvalues -- 0.61454 0.61840 0.62153 0.63462 0.65722 1 1 C 1S -0.00446 0.00970 -0.00138 -0.00900 -0.04404 2 2S 0.03303 0.05086 0.04115 -0.06202 -0.10097 3 2PX 0.09739 0.15957 -0.08116 -0.01379 0.05188 4 2PY 0.02637 0.13220 0.16254 -0.21111 0.08932 5 2PZ -0.00660 -0.05278 -0.11446 0.15289 0.03687 6 3S -0.14078 -0.39912 0.20870 0.27695 1.16207 7 3PX -0.06264 0.05594 0.21734 -0.21708 -0.17607 8 3PY 0.34857 -0.10829 -0.27732 0.26674 0.09752 9 3PZ -0.01685 0.25910 0.12655 -0.36822 -0.27526 10 4XX 0.00780 0.02147 0.00351 -0.00885 -0.02379 11 4YY -0.02668 -0.02581 -0.02112 0.03702 -0.01076 12 4ZZ 0.01656 0.01884 0.02260 -0.03508 -0.00317 13 4XY 0.02549 0.00807 0.02731 -0.01519 0.03345 14 4XZ 0.01835 0.01291 -0.01076 0.00138 0.00759 15 4YZ 0.01319 -0.00495 -0.02160 0.02789 0.03240 16 2 C 1S 0.00677 0.00167 -0.00471 -0.00755 -0.01296 17 2S 0.02701 -0.16372 0.11662 -0.05803 -0.26012 18 2PX 0.03925 0.18280 -0.19234 -0.06285 -0.30906 19 2PY -0.01436 -0.20421 -0.13833 -0.17468 0.31443 20 2PZ 0.03427 0.05520 0.00190 -0.12976 -0.08920 21 3S -0.30796 0.02641 0.39722 -0.11467 0.22022 22 3PX 0.00492 0.10535 -0.02595 -0.23297 -0.82267 23 3PY -1.14289 -0.71142 -0.04181 1.01031 -0.51155 24 3PZ -0.16036 -0.13850 -0.03410 0.21578 -0.03654 25 4XX -0.01564 -0.02652 0.02142 -0.01750 -0.03135 26 4YY 0.02054 -0.00614 0.01889 -0.02091 -0.06612 27 4ZZ 0.00033 0.00161 -0.01239 0.01462 0.02274 28 4XY -0.01831 -0.01536 -0.02453 -0.00295 -0.00897 29 4XZ 0.00107 -0.01329 -0.00748 0.00474 -0.01761 30 4YZ 0.01783 -0.00743 -0.01014 -0.00311 -0.00386 31 3 C 1S -0.02138 -0.03685 0.02460 0.03521 -0.00539 32 2S 0.01588 0.10847 0.18994 0.25226 -0.27097 33 2PX -0.18202 -0.32651 -0.24627 -0.09816 -0.28680 34 2PY 0.00712 -0.04024 -0.06821 0.00781 -0.01561 35 2PZ -0.35486 -0.04499 0.15982 -0.07788 -0.30314 36 3S 0.38229 0.36152 -0.25675 -0.70452 -0.69855 37 3PX -0.93885 -0.77024 -0.08292 1.16707 0.68424 38 3PY -0.07297 0.14762 -0.25409 0.05926 -0.70831 39 3PZ 0.15157 -0.09089 -0.19849 0.18511 0.34944 40 4XX -0.01517 -0.03746 0.04266 0.04663 -0.06062 41 4YY -0.01390 0.00150 0.04574 0.06606 -0.04928 42 4ZZ 0.01616 0.01927 -0.02434 -0.03179 0.02095 43 4XY 0.01389 0.00653 0.01533 -0.00008 0.02002 44 4XZ 0.01530 -0.01167 0.00291 0.01637 -0.01696 45 4YZ -0.02162 0.00383 0.02469 0.00233 -0.00580 46 4 C 1S 0.03400 0.04073 0.02428 0.02463 -0.00348 47 2S -0.11802 0.33884 0.04086 0.29066 -0.06870 48 2PX -0.02770 -0.40114 0.06229 0.22587 -0.15895 49 2PY -0.00413 0.33860 -0.19947 -0.13597 0.07050 50 2PZ -0.41186 0.06251 0.29810 -0.12156 0.08230 51 3S -0.11857 -0.76917 0.44546 0.00894 1.13471 52 3PX -1.09164 -0.54770 -0.35668 0.67327 0.63932 53 3PY 0.54810 0.15348 0.79204 -0.42602 0.29227 54 3PZ 0.30687 -0.21286 -0.37522 0.31536 0.03498 55 4XX 0.02876 0.09100 0.02338 0.05470 0.03026 56 4YY 0.01384 0.04504 0.05358 0.07603 -0.00885 57 4ZZ -0.02780 -0.03590 -0.02275 -0.03457 -0.00657 58 4XY -0.01823 0.01160 -0.03053 -0.00504 -0.04661 59 4XZ -0.01887 0.02958 0.02605 0.01185 -0.00086 60 4YZ -0.01188 0.01329 0.00577 0.01227 0.01173 61 5 C 1S -0.02417 0.04953 -0.02030 0.00685 0.01222 62 2S -0.16623 0.36005 -0.18295 0.05036 0.10911 63 2PX -0.04987 -0.09898 -0.02168 -0.08586 0.03229 64 2PY -0.18627 -0.13007 -0.33451 -0.39513 -0.04726 65 2PZ 0.07447 -0.01936 -0.19094 0.12475 0.30638 66 3S 0.44486 0.00755 -0.25734 -0.12054 -0.59732 67 3PX 0.51445 0.62642 -0.16269 -0.21308 -0.52976 68 3PY 1.33335 1.14012 1.05763 -0.50646 0.33649 69 3PZ 0.08491 0.18268 0.22932 -0.28003 -0.51235 70 4XX -0.03467 0.10516 -0.03729 0.00907 -0.01702 71 4YY -0.04443 0.10197 -0.06276 0.00436 0.02768 72 4ZZ 0.02737 -0.06120 0.02359 0.00078 0.00196 73 4XY 0.00059 0.00258 0.01891 0.03095 0.01458 74 4XZ 0.00115 0.03224 -0.02803 0.01903 0.01249 75 4YZ 0.01978 0.00774 -0.02321 0.01390 -0.00661 76 6 C 1S -0.02805 -0.00766 -0.05585 -0.02117 -0.01625 77 2S -0.13560 0.20091 -0.26234 -0.29457 0.11232 78 2PX 0.23701 -0.25585 0.32766 -0.41415 0.08377 79 2PY 0.01279 -0.14388 0.08098 -0.10503 -0.04100 80 2PZ 0.51646 -0.16597 -0.33467 0.13445 -0.17305 81 3S -0.29308 -0.77134 0.58379 0.52860 0.82329 82 3PX 0.71401 1.17026 0.29895 -0.38080 0.44117 83 3PY 0.54946 0.63831 -0.27995 -0.20402 -0.41056 84 3PZ -0.38184 0.36693 0.50429 -0.33482 0.38739 85 4XX -0.07942 -0.01435 -0.08900 -0.02551 0.02703 86 4YY -0.02671 0.02217 -0.06835 -0.07589 -0.00287 87 4ZZ 0.03200 0.00391 0.04999 0.02182 -0.00044 88 4XY 0.00729 -0.04056 0.00774 -0.00613 0.02508 89 4XZ -0.01322 -0.01067 -0.02719 -0.01523 -0.00090 90 4YZ -0.03194 0.00121 0.01570 -0.02593 -0.00267 91 7 C 1S 0.02010 -0.02898 0.02429 -0.03622 0.03216 92 2S -0.04538 -0.04526 -0.16084 -0.38992 -0.07613 93 2PX 0.29759 0.14614 0.33320 -0.05553 -0.06051 94 2PY -0.22597 -0.13007 -0.14553 0.08994 0.11553 95 2PZ 0.18059 -0.04336 0.08053 -0.13228 -0.04533 96 3S 0.29232 0.18300 -0.39810 0.40377 -0.46061 97 3PX 0.26338 0.22242 0.24868 -0.39655 0.96614 98 3PY -0.63296 -0.69880 0.18363 0.64045 0.10978 99 3PZ -0.06039 0.05807 -0.07407 0.14650 0.10790 100 4XX 0.05335 -0.02305 0.01099 -0.08838 -0.00575 101 4YY -0.00145 -0.04188 -0.01997 -0.06903 0.04340 102 4ZZ -0.02062 0.02467 -0.00281 0.03561 -0.02128 103 4XY -0.00379 0.02924 -0.00383 -0.01067 -0.01976 104 4XZ -0.00792 -0.00032 0.01778 -0.03382 0.00014 105 4YZ -0.01005 0.00084 -0.00098 -0.00594 0.00043 106 8 H 1S 0.09812 -0.01794 0.01420 -0.31795 0.01336 107 2S 0.13725 0.13271 -0.17852 -0.16151 -0.41405 108 9 H 1S -0.15763 0.09327 -0.28173 -0.21836 -0.09571 109 2S -0.13434 -0.11973 0.15458 0.03868 0.29906 110 10 H 1S -0.13798 0.39005 -0.16818 0.01040 -0.04068 111 2S 0.07428 0.10792 -0.13450 -0.02038 -0.16171 112 11 H 1S 0.05792 0.29221 0.10354 0.19390 -0.09673 113 2S -0.12389 -0.10758 0.12666 0.07563 0.30371 114 12 H 1S -0.10740 -0.05841 0.10841 0.22499 -0.22603 115 2S 0.13753 0.16160 -0.08396 -0.09915 -0.34910 116 13 C 1S 0.00905 0.00846 0.00822 -0.00850 0.00122 117 2S 0.01107 0.00008 0.07940 -0.07279 -0.09281 118 2PX -0.06033 0.01079 -0.02169 0.07751 0.33116 119 2PY 0.21738 0.03724 -0.23898 0.02032 -0.01145 120 2PZ 0.00861 0.01737 0.07071 -0.15644 -0.06062 121 3S -0.06040 0.16318 -0.08654 -0.11203 -0.37182 122 3PX 0.17158 -0.18452 0.01992 0.03733 -0.27552 123 3PY -0.33794 -0.10224 0.51208 -0.05666 0.39191 124 3PZ -0.07387 -0.11196 -0.29185 0.32666 -0.43710 125 4XX 0.00358 0.01587 0.02637 -0.02646 -0.04341 126 4YY -0.00808 -0.00095 0.00528 -0.00283 0.01318 127 4ZZ 0.01654 0.00192 -0.00546 -0.00098 -0.00612 128 4XY 0.01999 0.02000 0.01064 -0.03142 -0.00583 129 4XZ 0.00906 -0.01036 -0.01214 0.00876 -0.02848 130 4YZ -0.00434 -0.01556 -0.01692 0.01947 -0.00813 131 14 C 1S -0.00350 -0.00392 -0.00302 0.00538 0.01570 132 2S 0.03522 0.01080 0.00543 -0.01711 -0.12069 133 2PX -0.05420 -0.07090 -0.05336 0.07075 0.28342 134 2PY -0.12791 -0.12871 0.09616 0.09614 0.27910 135 2PZ -0.10100 -0.02662 -0.04297 0.04401 -0.19762 136 3S -0.08320 0.12572 0.07577 -0.09650 0.21423 137 3PX 0.03232 0.02654 0.08312 -0.06891 -0.56897 138 3PY 0.30956 0.27964 -0.29946 -0.19972 -0.77526 139 3PZ 0.23486 0.03762 0.13353 -0.11696 0.59488 140 4XX -0.00179 -0.00017 -0.00173 0.00160 0.01294 141 4YY 0.01662 0.00485 -0.00686 -0.00552 -0.00973 142 4ZZ -0.01421 -0.00727 0.00585 0.00783 -0.00270 143 4XY -0.01471 -0.01773 0.00073 0.02000 0.02225 144 4XZ -0.00348 0.01344 0.01167 -0.01045 0.01976 145 4YZ 0.00092 0.01439 -0.00769 -0.01004 -0.05120 146 15 H 1S -0.00678 -0.10214 -0.03223 0.11488 0.21987 147 2S 0.00280 -0.00185 0.09103 -0.01235 0.40724 148 16 H 1S -0.06835 0.00139 0.01726 0.00748 -0.01716 149 2S -0.05819 -0.05269 -0.06686 0.07181 -0.13519 150 17 H 1S 0.07703 0.06991 -0.03478 -0.06478 -0.08964 151 2S 0.04877 0.02562 -0.09649 0.01389 -0.05076 152 18 H 1S 0.07550 -0.02069 -0.03900 0.00957 -0.07638 153 2S -0.01339 -0.09911 -0.11722 0.14140 -0.23531 154 19 H 1S 0.10312 0.04099 0.03563 -0.09421 -0.02818 155 2S -0.10047 -0.11741 -0.08233 0.13838 -0.15218 156 20 H 1S -0.10506 -0.09591 -0.09929 0.15361 -0.15174 157 2S 0.30392 0.17247 0.01657 -0.12394 -0.19179 71 72 73 74 75 V V V V V Eigenvalues -- 0.66413 0.68942 0.70777 0.72302 0.76885 1 1 C 1S -0.00972 0.02124 0.02107 -0.00969 0.00252 2 2S -0.07471 -0.13865 -0.09946 0.22466 -0.00988 3 2PX 0.17124 -0.10456 0.00438 0.06379 -0.28291 4 2PY -0.01720 0.04195 -0.27106 0.15044 -0.05049 5 2PZ -0.02993 0.20850 0.18755 -0.39890 -0.01132 6 3S 0.95092 0.69924 0.28959 -1.03952 -0.65398 7 3PX -0.46896 0.47450 -0.38173 -0.49233 0.87042 8 3PY 0.32496 -0.19581 0.89098 -0.39114 -0.16082 9 3PZ -0.26945 -0.60536 -0.87426 1.32715 0.42982 10 4XX 0.01884 0.00676 0.02927 0.01798 -0.02486 11 4YY 0.02079 -0.02591 0.01536 0.03791 -0.02791 12 4ZZ -0.03954 0.03030 -0.02998 -0.05347 0.03483 13 4XY 0.02968 0.02193 0.01597 -0.00734 0.00889 14 4XZ -0.01742 -0.03883 0.02600 0.03250 0.02819 15 4YZ -0.00297 -0.03219 0.02972 0.00538 -0.00008 16 2 C 1S -0.01646 -0.01244 -0.01075 0.01205 -0.00414 17 2S -0.05622 0.04222 0.27148 0.03113 -0.01994 18 2PX 0.04603 0.01179 0.28374 -0.08442 -0.21243 19 2PY 0.12154 0.01654 0.14494 -0.00245 0.14491 20 2PZ -0.21529 0.12072 0.11698 0.42277 0.41609 21 3S -0.33801 0.11942 -0.60537 0.13196 0.20781 22 3PX -0.78253 0.18770 -0.89887 -0.11351 1.06062 23 3PY -0.20670 0.29696 -0.50977 -0.20331 -0.46496 24 3PZ 0.26455 0.02572 -0.06452 -0.90454 -1.00527 25 4XX -0.03761 -0.00613 0.00219 0.03541 0.02491 26 4YY -0.02618 -0.00308 0.02832 0.01287 -0.02306 27 4ZZ 0.01938 0.00320 0.00810 -0.01654 -0.00109 28 4XY -0.00955 -0.00701 -0.01792 0.00118 -0.01816 29 4XZ -0.00272 0.00237 0.00037 -0.00628 0.00030 30 4YZ -0.01164 -0.01611 0.02673 -0.01579 -0.01840 31 3 C 1S -0.01214 -0.00648 -0.01483 0.00135 -0.00430 32 2S -0.19218 -0.07560 -0.05586 0.02378 -0.10137 33 2PX -0.31136 -0.07191 -0.06494 -0.08363 -0.00395 34 2PY -0.08139 -0.05873 -0.01416 0.00332 -0.07433 35 2PZ 0.40652 0.27743 -0.30400 0.22487 -0.28166 36 3S -0.15328 0.29066 -0.46514 -0.32619 0.03042 37 3PX 0.50717 0.21985 0.11719 0.02291 -0.03888 38 3PY -0.21922 0.18515 -0.19577 -0.23907 0.25439 39 3PZ -0.59433 -0.54464 0.41432 -0.26522 0.85358 40 4XX -0.03872 -0.01481 -0.02932 -0.01232 -0.02432 41 4YY -0.03611 -0.00459 -0.02627 -0.00702 -0.00933 42 4ZZ 0.01588 0.00760 0.01712 0.00805 0.01058 43 4XY 0.01281 0.00369 -0.00837 -0.00411 0.00204 44 4XZ -0.02169 0.00122 -0.01755 0.02267 -0.00217 45 4YZ 0.00442 0.00760 -0.01365 0.00033 0.00264 46 4 C 1S 0.00828 0.00020 0.01081 -0.00185 -0.00422 47 2S -0.08978 -0.06025 -0.13475 0.00719 -0.02202 48 2PX -0.13754 0.01737 -0.12405 0.04443 -0.08546 49 2PY 0.07506 0.07116 -0.00448 0.00843 -0.04528 50 2PZ -0.06744 -0.52296 0.09408 -0.31508 0.24638 51 3S 0.49212 0.08275 0.24778 0.20810 0.15360 52 3PX 0.22969 -0.07905 0.23250 -0.06445 0.36158 53 3PY 0.02802 -0.12608 -0.05386 0.15905 0.14377 54 3PZ 0.07338 0.99845 -0.14980 0.58005 -0.70897 55 4XX 0.01720 -0.00297 0.01471 0.01035 -0.00305 56 4YY -0.00623 -0.00738 -0.01397 0.00126 0.00382 57 4ZZ -0.00721 -0.00025 -0.00833 -0.00680 0.00077 58 4XY -0.01295 0.00323 0.00186 -0.00630 -0.01234 59 4XZ 0.01949 -0.00291 0.00404 -0.00926 -0.00274 60 4YZ -0.02536 0.00029 0.00802 -0.01735 -0.00212 61 5 C 1S 0.00786 0.00573 0.00392 -0.00280 0.00848 62 2S 0.03475 -0.01331 -0.07616 0.01035 0.00934 63 2PX 0.09911 -0.08786 -0.06976 -0.01153 0.08769 64 2PY 0.02605 -0.01966 -0.04880 -0.00802 -0.01892 65 2PZ -0.48888 0.45148 0.11849 0.12856 -0.28399 66 3S -0.10993 -0.09129 0.14126 -0.10061 -0.14456 67 3PX -0.25325 0.07896 0.11879 0.00288 -0.44404 68 3PY 0.12656 0.01011 -0.01511 0.21235 -0.03605 69 3PZ 0.75950 -0.87202 -0.26000 -0.31977 0.77876 70 4XX 0.00711 0.00419 0.00585 -0.00563 0.00567 71 4YY 0.01451 -0.00241 -0.00480 0.00018 -0.00236 72 4ZZ -0.00828 0.00016 -0.00476 0.00028 -0.00330 73 4XY 0.00362 -0.00802 0.00927 0.00481 0.00564 74 4XZ -0.01349 0.01118 0.00424 -0.01548 0.00278 75 4YZ 0.01813 0.00691 -0.00396 0.00385 -0.00086 76 6 C 1S -0.00016 -0.00245 0.00059 -0.00355 -0.01033 77 2S 0.00797 0.02835 -0.06118 0.00815 0.02978 78 2PX -0.09968 0.03529 -0.02877 0.04514 -0.08660 79 2PY -0.04924 0.01586 -0.01091 0.01609 -0.02764 80 2PZ 0.37324 -0.05008 -0.30793 -0.11881 0.36081 81 3S 0.26306 -0.01846 -0.01693 0.11798 0.06894 82 3PX 0.40247 -0.11571 -0.13486 0.16900 0.20867 83 3PY 0.00643 -0.15552 0.07087 -0.05798 -0.04564 84 3PZ -0.59687 0.15539 0.60079 0.19290 -1.01212 85 4XX 0.00290 0.00248 -0.02067 -0.00391 -0.00302 86 4YY 0.00189 0.00936 -0.00083 -0.00001 -0.00793 87 4ZZ 0.00173 -0.00583 0.00118 0.00277 0.00821 88 4XY -0.00024 0.00400 -0.00898 -0.00134 0.01965 89 4XZ 0.01559 -0.01340 -0.00431 -0.00266 0.00114 90 4YZ 0.00183 -0.00883 0.00064 0.01523 0.00064 91 7 C 1S 0.00965 0.00630 0.00574 0.00541 0.00402 92 2S -0.05587 0.03929 0.08749 0.01832 0.03113 93 2PX -0.05777 0.10186 0.00732 0.02640 0.17784 94 2PY 0.05666 0.09518 -0.02007 -0.09592 0.17674 95 2PZ 0.06875 -0.30697 0.35199 -0.10384 -0.48218 96 3S -0.14913 -0.23770 0.19422 -0.05777 0.28370 97 3PX 0.44394 -0.21273 0.06981 0.19402 -0.37423 98 3PY 0.03369 0.07434 0.14921 0.06688 -0.48412 99 3PZ 0.04491 0.36045 -0.63045 0.37504 1.16870 100 4XX -0.00680 0.00250 0.00980 0.00129 -0.00831 101 4YY 0.01534 0.01030 0.04221 0.00801 0.03947 102 4ZZ -0.00824 0.00005 -0.01598 -0.00380 -0.00688 103 4XY -0.00450 -0.00115 0.00074 0.00665 -0.01444 104 4XZ -0.01024 0.01029 0.00470 0.01688 -0.00314 105 4YZ 0.00786 0.01148 -0.01704 0.01294 0.01254 106 8 H 1S 0.01168 0.02010 0.07702 0.07439 -0.02925 107 2S -0.21501 -0.00363 -0.15880 -0.18599 0.16156 108 9 H 1S -0.01364 0.02323 -0.00196 -0.01666 -0.05926 109 2S 0.05001 0.05862 -0.09319 0.03927 0.14753 110 10 H 1S 0.01337 0.04174 0.02875 -0.02943 0.04466 111 2S -0.03143 -0.05260 0.00839 0.00052 -0.18102 112 11 H 1S -0.00967 0.00538 0.04912 -0.02117 -0.01862 113 2S 0.05427 -0.00817 -0.03947 0.08990 0.14660 114 12 H 1S -0.14776 -0.03002 -0.08040 -0.01971 -0.06250 115 2S -0.15343 0.00909 -0.04309 -0.07179 0.15686 116 13 C 1S 0.01724 0.00296 0.00004 0.00515 -0.00297 117 2S 0.17268 0.12998 0.06995 0.25624 -0.13456 118 2PX -0.14227 -0.28533 -0.24902 0.42147 -0.00478 119 2PY -0.18574 -0.46674 -0.18732 0.09516 -0.20670 120 2PZ -0.10367 0.18990 -0.35800 -0.34595 -0.17944 121 3S -0.44720 -0.31186 -0.37906 -0.14533 0.19858 122 3PX 0.53304 0.62948 0.81960 -1.25647 -0.17376 123 3PY 0.46102 1.07661 0.23007 -0.66571 0.26325 124 3PZ 0.09897 -0.55230 1.08780 1.21906 0.46674 125 4XX 0.00904 0.04239 -0.00213 -0.01040 0.01888 126 4YY -0.01898 0.01310 -0.03114 -0.02319 -0.00228 127 4ZZ 0.06193 -0.03277 0.04263 0.10488 -0.03725 128 4XY -0.00398 -0.00410 -0.02894 0.01139 -0.00689 129 4XZ 0.00308 0.01954 0.05938 -0.02389 0.02475 130 4YZ -0.03101 -0.00245 0.01819 -0.03211 0.02052 131 14 C 1S -0.00228 -0.01579 -0.01135 0.02709 -0.01403 132 2S 0.05819 0.06668 0.12396 -0.09732 -0.04297 133 2PX -0.12200 -0.22903 -0.27663 0.21056 -0.07137 134 2PY 0.29878 0.17809 0.13337 -0.01198 -0.04126 135 2PZ -0.07130 -0.07062 0.29695 0.37247 0.22302 136 3S -0.29568 -0.10761 -0.54532 0.37526 0.24671 137 3PX 0.14816 0.50788 0.71678 -0.65172 0.37579 138 3PY -0.75932 -0.57410 -0.31153 0.17988 0.09391 139 3PZ 0.20354 0.22506 -0.82095 -1.15183 -0.70857 140 4XX -0.01677 -0.01673 -0.01474 0.03945 0.00328 141 4YY -0.00725 -0.01159 -0.02004 -0.02787 -0.03465 142 4ZZ 0.02543 0.02124 0.03691 0.00227 0.01027 143 4XY 0.01846 -0.00086 0.01807 0.00735 0.00788 144 4XZ -0.01483 0.00662 -0.05152 -0.01869 -0.01572 145 4YZ -0.03756 -0.01172 0.00359 0.02512 0.02198 146 15 H 1S 0.17646 -0.09974 0.06784 0.10743 -0.15742 147 2S 0.18114 0.10140 -0.33786 -0.20899 -0.35811 148 16 H 1S 0.01054 0.02795 0.00582 0.10391 -0.02212 149 2S -0.00676 -0.13989 0.36672 0.54920 0.21439 150 17 H 1S -0.08110 -0.09354 -0.10016 0.11826 -0.13073 151 2S -0.17666 -0.26816 -0.21678 0.11980 -0.07657 152 18 H 1S 0.21270 -0.10656 0.19479 0.27065 -0.09271 153 2S 0.04082 -0.13415 0.52942 0.28853 0.18716 154 19 H 1S -0.16195 0.08225 0.14089 -0.18785 0.11330 155 2S 0.12413 0.17532 0.35919 -0.24804 -0.38784 156 20 H 1S 0.07947 -0.02598 0.20237 0.09268 -0.13202 157 2S -0.03412 -0.08985 0.34762 -0.10717 0.03452 76 77 78 79 80 V V V V V Eigenvalues -- 0.79852 0.80387 0.83271 0.84266 0.84854 1 1 C 1S 0.02550 -0.01045 0.00438 -0.00443 0.01038 2 2S -0.30550 -0.08162 0.22858 -0.02183 0.06698 3 2PX 0.22303 0.06008 -0.00654 0.08255 0.01752 4 2PY -0.15641 -0.46960 -0.36686 0.05072 -0.16769 5 2PZ 0.00953 -0.50368 -0.16600 -0.01172 -0.12421 6 3S 2.33918 0.72683 -1.44676 -0.37266 -0.32367 7 3PX -1.01149 -0.34387 0.72256 -0.11553 0.20976 8 3PY 0.96061 1.34846 0.77433 -0.06802 0.46600 9 3PZ -0.23818 1.31263 0.27007 0.05777 0.16073 10 4XX 0.03994 0.00064 -0.01429 -0.02461 -0.00064 11 4YY 0.00471 0.00481 -0.03673 0.01075 -0.01848 12 4ZZ -0.01741 -0.01492 0.07879 -0.00055 0.03728 13 4XY 0.02030 0.01995 0.01684 0.01095 0.01310 14 4XZ -0.01616 -0.02190 0.00759 -0.00590 0.01006 15 4YZ -0.00342 -0.01771 0.01360 0.00534 0.00987 16 2 C 1S -0.00064 -0.00898 -0.00446 -0.00840 0.00261 17 2S 0.19855 0.02046 0.06656 0.07933 0.04576 18 2PX 0.29924 -0.11685 -0.10476 -0.15159 0.04220 19 2PY -0.10629 0.09146 0.21625 -0.02678 0.00476 20 2PZ 0.44941 0.40573 -0.18829 0.04268 -0.06427 21 3S -0.19726 -0.89585 -0.97915 -1.76160 0.36561 22 3PX -2.19257 -0.05710 1.82624 1.33951 0.15175 23 3PY 0.20530 -0.72932 -1.34671 -0.16263 -0.37969 24 3PZ -1.22309 -1.12019 0.64123 0.04475 0.17561 25 4XX -0.02069 -0.03259 -0.04543 -0.03273 0.00212 26 4YY 0.04789 -0.02368 0.01066 -0.02442 0.00820 27 4ZZ 0.00586 0.02962 0.01092 0.02478 -0.00293 28 4XY 0.01797 -0.01207 -0.01933 0.03858 0.03861 29 4XZ 0.00882 0.02832 -0.04702 -0.00323 -0.01653 30 4YZ 0.01507 -0.00461 -0.00473 0.00279 0.00932 31 3 C 1S 0.00504 -0.00225 -0.02838 0.01766 0.00044 32 2S 0.16625 -0.05439 0.20360 -0.07846 0.15498 33 2PX 0.02636 -0.03845 0.32287 -0.03389 0.02615 34 2PY 0.18080 -0.11444 -0.70250 0.02900 0.10252 35 2PZ -0.20907 0.01659 0.05303 -0.01775 0.03102 36 3S -1.22123 -0.41664 1.08110 1.50231 -1.18463 37 3PX 0.07369 0.06404 -1.70814 -0.11846 0.09532 38 3PY -1.11688 0.14848 2.93425 0.64567 -1.01842 39 3PZ 0.58053 0.25737 -0.30037 0.10423 -0.15705 40 4XX 0.00619 -0.01433 0.06843 0.00758 -0.01716 41 4YY 0.00669 -0.00210 -0.02889 0.04967 -0.01600 42 4ZZ -0.00204 0.00839 0.03464 -0.03368 0.02541 43 4XY -0.01968 0.00750 -0.00025 -0.01570 0.04791 44 4XZ -0.00125 0.00669 0.01100 0.00736 -0.00170 45 4YZ -0.01358 -0.03659 0.01141 -0.00004 0.01278 46 4 C 1S 0.00589 0.00131 0.01554 -0.00536 -0.02873 47 2S -0.04973 -0.03374 0.03522 0.02407 0.10507 48 2PX -0.02841 0.02318 0.33189 0.12409 -0.40218 49 2PY -0.00048 0.00237 0.27887 0.15121 -0.54040 50 2PZ 0.11463 -0.09991 0.07137 0.03496 -0.11320 51 3S 0.36119 0.19377 -2.05923 -1.63661 1.00263 52 3PX 0.28708 0.14694 -1.91479 -0.96641 1.53532 53 3PY 0.02942 -0.10852 -1.47763 -1.29117 2.38031 54 3PZ -0.36463 0.12401 -0.34749 -0.29024 0.48130 55 4XX 0.02209 -0.00046 -0.05737 0.00860 0.00479 56 4YY -0.01384 0.00998 0.01398 -0.07403 0.02945 57 4ZZ -0.00876 -0.00733 0.00306 0.02250 0.02088 58 4XY 0.01803 -0.00230 0.02683 -0.00996 -0.05397 59 4XZ 0.00840 -0.00753 -0.01144 -0.00398 -0.00880 60 4YZ -0.00362 -0.02681 0.01449 -0.01287 -0.00494 61 5 C 1S -0.01133 0.00486 0.01111 -0.01771 0.02554 62 2S -0.04643 -0.02862 -0.05781 -0.00313 -0.10333 63 2PX -0.06563 0.03897 -0.08743 -0.61363 0.52790 64 2PY 0.05119 -0.05725 -0.01328 0.14899 -0.12517 65 2PZ -0.11838 -0.00623 0.01062 -0.10387 0.09385 66 3S 0.00684 0.18040 1.07808 2.28860 -0.99831 67 3PX 0.17506 -0.20150 1.00666 3.28371 -2.06315 68 3PY -0.17205 0.05856 -0.31335 -0.57611 0.73714 69 3PZ 0.35617 -0.08223 0.07824 0.54524 -0.33670 70 4XX -0.01952 0.00258 0.05378 0.02779 0.06450 71 4YY 0.00247 0.00395 0.00281 0.04170 -0.08363 72 4ZZ 0.00733 -0.00846 -0.02569 -0.00330 -0.02144 73 4XY 0.00455 0.00839 -0.03908 0.04394 0.02188 74 4XZ -0.01036 -0.02067 0.01982 0.00723 0.02178 75 4YZ 0.00303 0.01046 -0.00806 0.01219 -0.00276 76 6 C 1S 0.01181 -0.00130 -0.00519 0.02789 0.02273 77 2S -0.09351 -0.09449 0.00640 -0.04905 -0.12907 78 2PX -0.04701 -0.12887 0.01118 0.24167 0.07372 79 2PY -0.01313 0.00459 -0.06656 -0.76940 -0.24725 80 2PZ 0.06268 -0.17254 0.01700 -0.01602 -0.00448 81 3S 0.47037 0.53904 -1.10580 -2.51474 0.21052 82 3PX 0.12740 0.38102 -0.53649 -1.18190 -0.54727 83 3PY -0.05001 0.00624 0.64682 3.87179 0.45654 84 3PZ -0.27722 0.31008 -0.03646 0.05844 -0.03416 85 4XX 0.00619 0.01934 -0.02263 -0.06634 -0.06542 86 4YY 0.00336 -0.03302 -0.01572 -0.00695 0.09038 87 4ZZ -0.01239 0.00281 0.01351 -0.00680 -0.03393 88 4XY -0.03043 0.00107 0.00361 -0.03311 0.00889 89 4XZ 0.00151 0.00028 -0.00631 -0.01451 -0.00598 90 4YZ 0.00259 0.02698 -0.01032 -0.00300 0.00878 91 7 C 1S 0.00431 -0.00209 0.00855 -0.01317 -0.02404 92 2S -0.06742 -0.09274 -0.10196 0.02319 0.01215 93 2PX -0.19535 -0.16651 0.07661 0.35838 0.25908 94 2PY -0.20270 0.14488 0.05236 0.39293 0.21242 95 2PZ -0.16036 0.14362 -0.00592 0.07694 0.06315 96 3S -0.32992 0.35280 1.96404 2.01985 0.49815 97 3PX 0.77721 0.60612 -0.73451 -2.12144 -1.13126 98 3PY 0.85941 -0.55438 -0.67803 -2.08658 -0.72323 99 3PZ 0.64017 0.04741 -0.25520 -0.43885 -0.30469 100 4XX 0.00608 -0.04038 0.00818 0.07314 0.01132 101 4YY -0.03050 0.01489 0.04428 -0.00419 -0.01596 102 4ZZ -0.00326 0.01693 -0.02607 -0.00493 0.01962 103 4XY 0.01068 -0.02715 -0.00988 -0.00633 -0.04059 104 4XZ 0.01045 0.02551 -0.00608 0.01908 -0.00938 105 4YZ 0.00003 0.01258 -0.00345 0.00203 -0.01553 106 8 H 1S 0.08532 -0.10423 0.04101 -0.15327 -0.25102 107 2S -0.72555 0.03071 0.19364 1.48820 0.97313 108 9 H 1S 0.05543 -0.08241 -0.05259 0.34616 0.25320 109 2S -0.11642 0.08114 -0.19555 -2.23726 -0.74022 110 10 H 1S -0.08820 0.00494 0.12642 -0.22078 0.33361 111 2S 0.25215 -0.12710 0.19519 1.74789 -1.50615 112 11 H 1S 0.04448 0.00163 0.20820 -0.03947 -0.34509 113 2S -0.06280 0.00223 -1.23996 -0.55984 1.83180 114 12 H 1S 0.08180 -0.05274 -0.32290 0.16442 -0.01488 115 2S -0.49319 0.11859 2.01260 -0.09979 -0.29314 116 13 C 1S -0.00249 -0.00087 0.00844 -0.00100 0.00487 117 2S 0.58124 -0.35364 0.26278 -0.00472 0.17200 118 2PX 0.15641 -0.41658 0.27540 -0.01162 0.14109 119 2PY -0.17075 0.13049 -0.11113 0.00795 -0.03354 120 2PZ 0.38164 0.02178 0.15347 -0.05525 0.15760 121 3S -1.38678 1.18681 -0.83867 0.14060 -0.46235 122 3PX -0.02003 1.22105 -0.74834 0.16411 -0.38675 123 3PY 0.43174 -0.44906 0.11865 -0.02402 0.01956 124 3PZ -1.21216 -0.61162 -0.38137 0.15233 -0.35877 125 4XX 0.01564 0.01163 0.01106 0.00528 0.00473 126 4YY 0.01930 -0.02212 0.01632 -0.00407 0.00106 127 4ZZ 0.03884 -0.03053 0.01103 0.00062 0.01549 128 4XY 0.01196 -0.00735 0.00310 -0.00172 -0.00823 129 4XZ -0.01159 -0.05307 0.01741 -0.01534 0.01120 130 4YZ -0.00340 0.00829 -0.02231 0.00066 -0.01707 131 14 C 1S 0.03534 -0.02543 0.02212 0.00146 0.01523 132 2S 0.01478 0.01195 -0.00178 0.03399 0.01522 133 2PX 0.15419 0.00394 0.05091 0.05175 0.02624 134 2PY 0.30010 -0.17240 -0.07854 -0.02906 -0.13485 135 2PZ -0.30265 -0.35673 -0.01927 -0.03544 -0.05801 136 3S -0.03733 -0.52714 0.36278 -0.23775 0.15426 137 3PX -0.80547 0.44502 -0.48380 -0.00262 -0.31705 138 3PY -0.78222 0.43558 0.04267 -0.01996 0.15837 139 3PZ 0.93904 1.17569 -0.12298 0.11993 0.05089 140 4XX 0.02608 -0.07724 0.03832 -0.00655 0.01765 141 4YY 0.00392 0.01131 -0.03008 -0.00655 -0.02486 142 4ZZ 0.01205 0.02460 0.02266 0.01609 0.02893 143 4XY -0.02101 0.02485 0.02059 0.02051 0.03178 144 4XZ 0.04731 0.02867 0.00562 0.00429 0.00436 145 4YZ -0.02109 -0.01128 0.00114 -0.02000 -0.00684 146 15 H 1S 0.13032 -0.06649 0.11942 0.09044 0.14803 147 2S 0.86052 0.10393 -0.00689 -0.00443 -0.07093 148 16 H 1S 0.22175 -0.04906 0.21273 0.01484 0.19277 149 2S -0.33254 -0.79176 -0.01393 -0.06446 -0.13221 150 17 H 1S 0.24238 -0.25503 -0.00606 -0.11485 -0.08228 151 2S -0.11413 0.38804 0.22767 0.16379 0.33553 152 18 H 1S 0.02796 -0.11437 0.13032 -0.02961 0.12729 153 2S -0.43829 -0.18223 -0.24157 0.12130 -0.24784 154 19 H 1S 0.20299 -0.06826 0.28591 -0.00198 0.21911 155 2S -0.06900 -0.81208 -0.45114 0.01232 -0.29048 156 20 H 1S 0.24484 -0.14139 -0.16100 0.07409 -0.02576 157 2S 0.27993 0.71192 0.82856 -0.06054 0.40699 81 82 83 84 85 V V V V V Eigenvalues -- 0.85810 0.86690 0.88812 0.89450 0.91693 1 1 C 1S -0.00940 0.00493 0.00221 0.00363 0.00996 2 2S 0.19908 -0.06866 -0.06602 0.00796 -0.71019 3 2PX 0.10542 0.15018 0.04326 0.01043 -0.11333 4 2PY 0.14793 0.19682 0.36949 -0.02744 0.12557 5 2PZ 0.26257 0.02002 0.25595 -0.02616 -0.43955 6 3S -0.69934 0.19793 0.36412 -0.49181 2.04891 7 3PX -0.21427 -0.56862 -0.05770 -0.68449 -0.03050 8 3PY -0.25819 -0.37101 -0.81369 -0.29162 -0.17674 9 3PZ -0.38152 -0.18986 -0.58820 -0.03205 0.68533 10 4XX -0.00600 -0.00913 -0.03169 -0.00968 -0.10114 11 4YY 0.07138 0.00863 0.10197 -0.02319 -0.03256 12 4ZZ -0.03935 -0.00625 -0.07438 0.02375 0.05016 13 4XY 0.00270 0.02381 -0.02170 -0.02607 -0.01591 14 4XZ -0.06050 0.00739 -0.02781 0.01711 0.03471 15 4YZ -0.02095 0.01619 -0.02197 0.00389 0.02505 16 2 C 1S -0.00242 -0.00003 -0.00467 0.00056 -0.01542 17 2S -0.00989 0.12263 -0.06059 0.00129 -0.06841 18 2PX -0.23774 0.02290 -0.01460 0.10223 0.04511 19 2PY -0.08834 -0.11800 -0.06131 -0.03460 -0.03700 20 2PZ 0.20432 0.06491 0.11335 -0.13616 -0.09319 21 3S -1.16704 -0.50292 0.16850 0.56284 0.17960 22 3PX 1.55485 0.08207 0.17037 -0.45486 -0.58156 23 3PY 0.26631 0.62664 0.55121 0.67792 0.39758 24 3PZ -0.25832 -0.07777 -0.15041 0.21046 0.02903 25 4XX -0.07916 -0.02588 -0.03568 -0.00910 -0.03340 26 4YY -0.00810 0.02194 0.01069 0.02968 0.00010 27 4ZZ 0.03839 0.00589 0.00784 -0.01984 0.00617 28 4XY 0.01832 0.02323 -0.00748 -0.00429 0.01277 29 4XZ 0.03797 -0.00643 0.01343 0.00158 -0.04028 30 4YZ 0.00620 0.00968 0.00263 -0.00221 -0.00009 31 3 C 1S -0.01366 0.01005 -0.01906 -0.00282 -0.00381 32 2S 0.02388 -0.20873 0.04419 0.05304 -0.12092 33 2PX 0.15199 -0.06967 0.10713 0.06747 -0.05571 34 2PY -0.32717 0.23874 -0.25938 0.04473 0.06573 35 2PZ -0.09669 -0.02321 -0.06248 0.05138 0.05716 36 3S 1.28037 0.87877 0.62431 0.08120 0.26012 37 3PX -0.65011 0.23025 -0.50653 -0.08815 0.15525 38 3PY 1.55034 -0.30000 0.92844 -0.14810 -0.16629 39 3PZ 0.36682 0.10841 0.17822 -0.16212 -0.15136 40 4XX 0.04418 -0.02905 0.05502 0.01109 0.00251 41 4YY -0.01806 0.05376 -0.07655 -0.00444 -0.02652 42 4ZZ 0.00487 -0.03733 0.02368 -0.00072 0.00364 43 4XY 0.05031 -0.02692 0.03880 -0.00245 -0.00233 44 4XZ -0.00027 -0.00129 -0.00081 0.00448 0.01349 45 4YZ -0.02187 0.00128 -0.01013 0.00581 0.00538 46 4 C 1S 0.00335 0.02135 -0.00032 0.00036 0.00393 47 2S -0.00647 -0.32636 0.11640 0.00968 -0.12463 48 2PX 0.12357 0.19967 0.06246 0.00666 0.14926 49 2PY 0.09242 0.36886 -0.07543 -0.01023 0.13241 50 2PZ 0.04690 0.07329 0.03033 -0.00545 0.01358 51 3S -0.56360 0.40332 -0.27342 -0.06924 0.42951 52 3PX -0.77142 -0.34393 -0.69169 -0.04135 -0.31875 53 3PY -0.28100 -1.00776 0.37575 0.11209 -0.16874 54 3PZ -0.29944 -0.18309 -0.20379 0.04786 0.02554 55 4XX -0.04160 -0.00749 -0.02153 -0.00464 -0.00281 56 4YY 0.03177 0.00795 0.02018 0.00415 0.00515 57 4ZZ -0.00282 -0.04152 0.00850 -0.00047 -0.02022 58 4XY 0.01331 0.10139 -0.02979 0.00992 0.02787 59 4XZ -0.00129 0.01552 -0.00254 -0.00045 -0.00248 60 4YZ -0.00829 0.02018 -0.00716 0.00897 0.01020 61 5 C 1S 0.02140 0.01139 0.00239 0.00185 0.00293 62 2S -0.10205 -0.14405 -0.02895 0.00225 -0.15168 63 2PX 0.32878 0.24323 0.08025 0.05223 0.20089 64 2PY -0.04465 0.06619 -0.11058 0.00295 -0.04424 65 2PZ 0.02262 0.03610 -0.01537 0.01792 0.03969 66 3S 0.33750 0.10584 -0.06041 -0.35174 0.22790 67 3PX -0.60919 -0.74101 -0.06677 -0.19682 -0.35532 68 3PY 0.10684 -0.66050 0.71693 -0.13469 0.09756 69 3PZ -0.01120 -0.13724 0.12222 -0.06420 -0.09197 70 4XX 0.07657 0.02562 0.02333 0.01570 0.03073 71 4YY -0.04149 -0.02353 -0.02044 -0.01447 -0.03260 72 4ZZ -0.03731 -0.02184 -0.00783 -0.00414 -0.01946 73 4XY -0.04090 -0.05385 -0.00815 -0.01139 -0.02001 74 4XZ 0.01081 0.00428 0.00404 0.00859 0.00953 75 4YZ 0.00082 -0.00827 0.00067 -0.00706 -0.00926 76 6 C 1S 0.00372 -0.01535 0.00385 0.00206 0.00456 77 2S -0.02687 0.20665 -0.12665 0.05244 -0.18435 78 2PX 0.11524 0.00707 0.04107 0.10585 0.08354 79 2PY -0.06579 0.35936 -0.12697 -0.00919 -0.18261 80 2PZ -0.02902 0.03212 0.01120 0.03662 0.01218 81 3S -0.53869 -0.38557 0.20903 -0.18951 0.55641 82 3PX -0.60347 -0.53610 0.32439 -0.54097 -0.17208 83 3PY 0.35152 -1.05205 0.11280 -0.25781 0.17800 84 3PZ -0.04239 -0.19746 -0.00641 -0.14918 -0.02668 85 4XX -0.03218 0.02458 -0.02738 -0.01621 -0.02535 86 4YY 0.02820 -0.02981 0.04409 0.03470 0.02910 87 4ZZ -0.00294 0.03177 -0.02204 -0.00896 -0.02483 88 4XY 0.01596 0.06242 -0.04775 -0.00726 -0.02616 89 4XZ -0.00699 0.00255 -0.00464 -0.00054 -0.00241 90 4YZ 0.01681 0.00674 -0.00170 -0.00284 0.00032 91 7 C 1S -0.01649 -0.02316 0.01382 0.00593 0.00055 92 2S -0.03523 0.35954 -0.10754 0.03774 -0.18117 93 2PX 0.21358 0.36257 -0.14945 0.07144 -0.12822 94 2PY 0.19437 0.26943 -0.28713 -0.14309 -0.12756 95 2PZ 0.12002 0.06503 -0.06846 -0.06828 -0.08013 96 3S 0.74065 -0.72054 -0.25411 -0.25422 0.04328 97 3PX -1.22549 -1.18552 0.45128 -0.41494 0.28299 98 3PY -0.86376 -0.42429 0.79243 0.89066 0.50830 99 3PZ -0.22865 -0.16777 0.24150 0.04480 0.12021 100 4XX -0.00591 0.00924 -0.00849 0.01871 -0.00244 101 4YY -0.01639 -0.01521 0.01037 -0.00715 -0.02684 102 4ZZ 0.02567 0.04673 -0.02425 -0.01431 -0.00510 103 4XY -0.03806 -0.09007 0.07061 0.01202 0.01380 104 4XZ 0.00842 -0.01205 0.01203 0.00689 0.00530 105 4YZ -0.00052 -0.02127 0.01733 0.00629 0.00127 106 8 H 1S -0.19127 -0.31949 0.27845 0.08411 0.07971 107 2S 0.98732 1.25899 -0.84017 -0.27570 -0.43922 108 9 H 1S 0.05984 -0.22179 0.14603 0.06991 0.15925 109 2S -0.29331 0.86711 -0.30307 -0.03950 -0.45134 110 10 H 1S 0.27987 0.18302 0.06916 0.05528 0.13461 111 2S -0.81941 -0.61760 -0.22619 -0.14472 -0.46520 112 11 H 1S 0.03879 0.31682 -0.03593 0.01192 0.13139 113 2S -0.40196 -1.13320 0.03105 0.00710 -0.43744 114 12 H 1S -0.21365 0.18990 -0.27397 0.01799 -0.01131 115 2S 1.05257 -0.62489 0.98767 -0.07190 -0.09924 116 13 C 1S -0.00331 -0.00044 -0.00140 -0.02237 -0.02277 117 2S 0.18412 0.05254 -0.00034 0.44684 0.03280 118 2PX -0.19722 0.02665 -0.08470 -0.08981 -0.13284 119 2PY 0.10672 0.00894 -0.06923 0.11227 0.04291 120 2PZ -0.07296 -0.00996 -0.00417 -0.74835 -0.17915 121 3S -0.03330 0.11712 0.04970 -0.77264 -0.12289 122 3PX 0.80202 0.15457 0.37860 0.10715 0.29489 123 3PY -0.08882 -0.00980 0.22162 -0.41317 -0.02435 124 3PZ 0.12798 0.22377 -0.04602 1.96960 0.18288 125 4XX 0.02077 0.00311 0.02739 0.06513 0.00033 126 4YY -0.00198 -0.00667 -0.01882 0.07665 0.05060 127 4ZZ 0.02509 0.01198 -0.00256 -0.07603 -0.06715 128 4XY 0.05208 -0.02690 -0.06449 0.02207 0.00505 129 4XZ -0.03005 -0.01868 -0.03594 -0.07060 -0.00384 130 4YZ 0.02247 -0.01389 -0.00390 0.03501 0.04339 131 14 C 1S 0.00199 0.01168 -0.00956 0.00605 0.00827 132 2S 0.06984 0.08361 0.12227 0.00562 -0.38431 133 2PX 0.02134 0.08475 0.13624 0.09925 -0.12442 134 2PY 0.45740 -0.24975 -0.46270 0.12680 0.01147 135 2PZ 0.06739 -0.10131 -0.05809 -0.48510 0.26699 136 3S -0.59961 -0.43546 -0.43174 -0.18050 0.58303 137 3PX 0.18420 -0.13383 -0.05897 -0.02464 0.29124 138 3PY -0.69678 0.26585 0.68626 -0.17261 -0.03722 139 3PZ 0.20482 0.21417 0.28849 0.37526 -0.30679 140 4XX -0.00636 -0.01082 -0.01139 -0.02056 -0.03329 141 4YY 0.07135 -0.02437 -0.03554 -0.06231 0.06655 142 4ZZ -0.06194 0.05434 0.05656 0.08616 -0.08970 143 4XY -0.08349 0.06727 0.09921 -0.02929 0.00762 144 4XZ 0.00889 0.00580 0.01525 0.05526 -0.03444 145 4YZ -0.00244 -0.04191 -0.06165 0.07182 -0.07796 146 15 H 1S -0.14147 0.30140 0.24771 -0.32678 0.40744 147 2S 0.57169 -0.20582 -0.47601 0.70701 -0.74674 148 16 H 1S -0.29388 0.18374 0.03800 0.47418 -0.34408 149 2S 0.30580 -0.23752 -0.35199 -0.79738 0.50748 150 17 H 1S 0.43069 -0.30329 -0.58039 -0.05348 0.20605 151 2S -0.81343 0.66403 1.11950 0.07002 -0.48130 152 18 H 1S -0.14449 0.04299 -0.10344 -0.51061 -0.35568 153 2S 0.29609 0.12632 0.06951 1.95767 0.56191 154 19 H 1S -0.35655 0.09254 -0.26870 0.04640 0.53433 155 2S 0.72794 0.15846 0.80169 0.01730 -1.33229 156 20 H 1S 0.20155 0.15450 0.44972 -0.05105 0.21482 157 2S -0.33415 -0.26757 -1.10354 0.06067 -0.54777 86 87 88 89 90 V V V V V Eigenvalues -- 0.92622 0.92949 0.95246 0.95418 0.97194 1 1 C 1S -0.00615 0.02294 -0.00370 -0.00467 0.01591 2 2S -0.18187 -0.51330 0.13849 0.02151 -0.52622 3 2PX -0.14643 -0.39550 0.19042 -0.01652 0.13889 4 2PY 0.05488 0.14097 -0.04114 0.16857 0.29479 5 2PZ 0.01515 -0.14585 0.01566 0.13370 -0.16576 6 3S 0.39638 0.51912 -0.31494 -0.17070 0.84331 7 3PX 0.15079 1.56060 -0.64162 -0.12537 -0.77136 8 3PY -0.05928 0.07948 0.01277 -0.60588 -0.89688 9 3PZ 0.15907 0.22798 0.06029 -0.26644 0.49202 10 4XX 0.01652 -0.08869 0.00969 0.03754 -0.06041 11 4YY 0.01267 0.08365 -0.02084 0.00461 0.01536 12 4ZZ -0.06126 -0.05695 0.02392 -0.04467 -0.02022 13 4XY -0.00538 0.02554 -0.02246 -0.02388 -0.03458 14 4XZ 0.02959 0.01070 -0.00886 -0.00840 0.04891 15 4YZ 0.01510 0.02548 -0.00799 0.00234 0.03316 16 2 C 1S 0.00224 -0.01335 0.00547 0.01514 0.01695 17 2S 0.14534 -0.35615 0.08388 0.31062 0.48525 18 2PX -0.02529 -0.15016 0.08126 -0.04505 0.08399 19 2PY 0.10863 -0.00854 -0.05238 0.02979 0.02938 20 2PZ -0.03761 -0.05785 0.00630 0.05143 -0.05073 21 3S -0.42883 0.49443 0.16296 -1.52658 -2.18136 22 3PX -0.57201 1.42222 -0.50948 0.39125 0.16976 23 3PY -0.72949 -0.57943 -0.33149 0.06228 -0.05408 24 3PZ -0.03597 0.32831 -0.15617 -0.04342 0.08574 25 4XX 0.04242 -0.05081 0.00164 0.04700 0.02998 26 4YY -0.00053 -0.04226 0.02932 -0.00121 0.03953 27 4ZZ -0.01204 0.02500 -0.01229 -0.00503 -0.01965 28 4XY -0.00529 -0.00424 0.00858 -0.00564 0.02760 29 4XZ -0.00787 -0.02458 0.00497 0.02604 -0.02484 30 4YZ -0.00794 0.00808 -0.00507 0.00080 -0.00726 31 3 C 1S -0.00256 -0.00751 -0.00488 0.00066 0.00416 32 2S -0.17222 -0.51862 -0.30438 0.33944 0.64688 33 2PX -0.12477 -0.01153 0.19434 -0.04396 -0.03824 34 2PY 0.18219 -0.08621 0.06099 -0.16747 -0.28598 35 2PZ 0.01730 -0.01830 0.05198 -0.04227 0.02790 36 3S 0.02454 1.77650 1.62953 -0.70166 -1.37085 37 3PX 0.02049 -0.51523 -1.62364 0.56449 0.42429 38 3PY -0.47111 0.42818 -0.64114 0.80784 1.07758 39 3PZ -0.12293 -0.07882 -0.33846 0.24016 0.00069 40 4XX -0.03096 -0.00140 0.01439 0.01432 0.04387 41 4YY -0.00304 -0.08894 -0.05827 0.04215 0.04350 42 4ZZ -0.01044 0.01665 0.00523 -0.00174 0.01491 43 4XY -0.02789 0.01865 0.01215 0.01714 0.02340 44 4XZ 0.00082 -0.00427 0.00710 -0.00098 0.02931 45 4YZ 0.00565 -0.00491 -0.00304 -0.00056 0.02030 46 4 C 1S 0.00097 0.00040 -0.01078 -0.00091 0.00452 47 2S -0.46277 0.10655 -0.56936 0.04228 0.14379 48 2PX 0.26176 0.15802 0.31455 -0.17427 -0.30599 49 2PY 0.24588 -0.20848 -0.33858 0.08204 0.01669 50 2PZ 0.05652 0.01035 0.02539 -0.01635 -0.06689 51 3S 1.43046 -0.21204 2.20857 -0.16812 -0.55757 52 3PX -0.63937 -1.10306 -2.54606 0.71371 0.83849 53 3PY -0.17317 0.86319 2.44324 -0.78047 -0.75629 54 3PZ -0.07869 -0.09940 -0.24701 0.02006 0.16559 55 4XX -0.01961 -0.02132 -0.09456 0.01427 0.03721 56 4YY -0.01457 0.03289 0.00905 -0.02606 -0.03818 57 4ZZ -0.03138 0.00719 0.00540 0.01199 0.01710 58 4XY 0.04131 -0.03746 -0.05680 -0.01845 -0.02897 59 4XZ 0.00153 -0.00729 -0.02729 0.00218 -0.01162 60 4YZ 0.01210 -0.00544 -0.00846 -0.00931 -0.00370 61 5 C 1S -0.00024 0.00357 -0.00090 -0.00581 -0.01150 62 2S -0.57797 0.48052 -0.03954 -0.29311 -0.51582 63 2PX 0.31472 -0.15473 -0.18363 -0.01944 -0.11460 64 2PY -0.21977 -0.11667 -0.63007 0.05706 0.05376 65 2PZ 0.04423 -0.02198 -0.08114 -0.00661 -0.01085 66 3S 1.69630 -1.13780 -0.07146 1.37559 2.19810 67 3PX -0.32105 0.55167 0.96316 0.04016 0.29072 68 3PY 1.11413 0.96997 4.42485 -0.33437 -0.09409 69 3PZ 0.00140 0.10772 0.50457 0.01326 0.02099 70 4XX 0.01908 0.03357 0.02779 -0.05532 -0.09316 71 4YY -0.06967 0.02664 -0.03938 0.01115 0.01561 72 4ZZ -0.03185 0.01280 0.00504 0.00512 0.01199 73 4XY 0.00206 0.02302 0.09482 0.00353 0.01771 74 4XZ 0.01127 0.00790 0.01070 -0.01375 -0.02022 75 4YZ -0.00610 0.00942 0.00890 0.00309 -0.00674 76 6 C 1S -0.00045 0.00145 0.01296 -0.00566 -0.00294 77 2S -0.38294 0.38557 0.66667 -0.21210 -0.15982 78 2PX -0.10614 -0.03609 -0.48501 -0.11121 -0.28706 79 2PY -0.41910 0.12805 -0.03630 -0.00320 0.13270 80 2PZ -0.04501 -0.02714 -0.07034 -0.01774 -0.02221 81 3S 1.05608 -1.57387 -2.62988 0.83237 0.46352 82 3PX 1.24041 0.18342 3.26229 0.71941 1.43309 83 3PY 1.04683 0.15673 0.78357 0.20111 0.20418 84 3PZ 0.29419 0.15605 0.55396 0.11451 0.21814 85 4XX -0.03577 0.02308 0.04463 0.01163 0.02650 86 4YY 0.00629 0.00887 0.05260 -0.04785 -0.06928 87 4ZZ -0.03076 0.01619 -0.00220 0.00831 0.02363 88 4XY -0.05654 0.02014 -0.09156 -0.00063 -0.01151 89 4XZ -0.00215 -0.00463 0.00722 0.00087 0.00710 90 4YZ -0.00893 0.00344 -0.01099 -0.00344 -0.01048 91 7 C 1S 0.00107 -0.00760 0.01025 0.00278 0.00687 92 2S 0.11588 -0.01377 0.64641 0.16500 0.54129 93 2PX -0.21613 0.15261 -0.01168 -0.07305 -0.00099 94 2PY -0.04812 0.10019 0.10002 0.15007 0.26322 95 2PZ -0.03182 0.11293 -0.03748 -0.00397 -0.03153 96 3S -0.46993 0.55370 -2.45812 -0.59899 -1.56886 97 3PX 1.16223 -0.65116 0.87334 0.58155 0.56047 98 3PY -0.55928 -0.79581 -0.72084 -0.76033 -1.22388 99 3PZ 0.11656 -0.35805 0.19084 0.08545 0.07772 100 4XX -0.00935 0.00261 0.03198 -0.01865 0.00249 101 4YY 0.04502 -0.00744 0.06394 0.04059 0.07858 102 4ZZ -0.02238 0.01859 -0.00757 0.00063 0.00418 103 4XY 0.04242 -0.02166 0.04084 0.01201 0.00614 104 4XZ -0.00487 0.00031 0.00824 -0.00113 -0.00922 105 4YZ 0.00999 -0.01869 0.02118 0.00919 0.01199 106 8 H 1S 0.14819 -0.11216 0.02098 0.00225 -0.01309 107 2S -0.36958 0.71915 0.22059 0.17799 0.62498 108 9 H 1S 0.21139 -0.11602 0.03755 -0.04754 -0.12065 109 2S -0.84619 0.33576 0.42743 -0.01305 0.27979 110 10 H 1S 0.22602 -0.09233 -0.00871 -0.05476 -0.10809 111 2S -0.89241 0.47663 0.05433 -0.03158 0.03526 112 11 H 1S 0.24320 -0.06053 -0.07974 -0.06791 -0.11959 113 2S -0.85828 0.12452 -0.12115 0.08255 0.31630 114 12 H 1S 0.09893 -0.15623 -0.00371 -0.06179 -0.15875 115 2S -0.40813 0.33238 -0.22059 0.53335 1.01418 116 13 C 1S 0.00596 0.00450 -0.00794 -0.01742 -0.01451 117 2S -0.46026 0.23238 -0.12085 -0.33370 -0.40161 118 2PX 0.13760 -0.05036 0.05902 -0.05212 0.08072 119 2PY -0.00634 0.03498 -0.00475 0.04909 0.10137 120 2PZ 0.16733 0.18543 -0.06564 -0.01927 -0.03903 121 3S 0.74452 -1.00462 0.54495 0.91536 1.22655 122 3PX -0.57287 0.03074 -0.06695 0.30031 -0.38065 123 3PY -0.08372 -0.06297 -0.03140 -0.04602 -0.33551 124 3PZ -0.26108 -0.59979 0.19705 0.23508 0.47567 125 4XX -0.04658 0.01955 -0.00304 -0.06742 -0.01848 126 4YY -0.05508 -0.05835 0.03336 0.02267 -0.00732 127 4ZZ 0.02998 0.06132 -0.04600 -0.01264 -0.03602 128 4XY -0.02146 -0.03281 0.01417 -0.01861 -0.00785 129 4XZ 0.02698 0.01152 -0.02025 -0.02386 0.00190 130 4YZ 0.01003 0.03606 0.00375 0.00424 0.03917 131 14 C 1S -0.01609 0.00791 0.01075 0.03742 -0.01262 132 2S -0.02336 -0.31084 0.00039 -1.05732 0.38699 133 2PX 0.01852 -0.04798 -0.03504 -0.41786 0.22658 134 2PY 0.11081 -0.00413 0.05521 -0.10332 0.20172 135 2PZ -0.18138 -0.18726 0.04836 -0.13465 -0.06792 136 3S 0.37020 0.88071 -0.15106 1.93295 -1.00650 137 3PX -0.05965 -0.02316 0.06972 0.89819 -0.30366 138 3PY -0.04865 0.33758 -0.22662 0.21574 -0.33839 139 3PZ 0.06662 0.17209 0.03049 0.21243 0.02676 140 4XX 0.00389 -0.01340 -0.01040 -0.14230 0.03015 141 4YY -0.04451 -0.03607 0.02808 -0.01444 0.02236 142 4ZZ 0.03052 0.01667 -0.01294 0.01828 -0.00549 143 4XY -0.02389 -0.01061 -0.00304 -0.00169 -0.00367 144 4XZ -0.00141 -0.00162 0.00702 -0.02741 0.00160 145 4YZ 0.09869 0.08579 -0.03767 0.00802 0.02675 146 15 H 1S -0.46638 -0.27125 0.20655 0.45513 -0.26942 147 2S 0.47099 0.04431 -0.04436 -0.97846 0.69926 148 16 H 1S 0.20349 0.32032 -0.05056 0.58194 -0.17247 149 2S -0.35305 -0.61444 0.13082 -1.14522 0.41124 150 17 H 1S -0.00961 0.18101 0.07885 0.40362 -0.11529 151 2S -0.10193 -0.09715 -0.17267 -0.77748 0.12726 152 18 H 1S 0.33118 0.23876 -0.17867 -0.04041 -0.00187 153 2S -0.73163 -0.34060 0.19291 0.06141 0.03322 154 19 H 1S -0.10925 0.18049 -0.03923 -0.19554 0.27814 155 2S -0.01806 -0.52373 0.10394 0.56397 -0.53397 156 20 H 1S 0.01755 0.58621 -0.12660 -0.05006 0.31623 157 2S -0.23944 -0.85331 0.34115 -0.42232 -1.06817 91 92 93 94 95 V V V V V Eigenvalues -- 0.99244 1.03309 1.08838 1.11122 1.15259 1 1 C 1S 0.00901 -0.00794 -0.00051 0.00404 0.01276 2 2S 0.09145 -0.09274 0.07613 0.01831 0.22105 3 2PX -0.24210 0.18589 -0.00723 -0.01017 -0.04169 4 2PY -0.11971 -0.13412 -0.28357 -0.01425 0.21713 5 2PZ 0.01486 -0.05859 -0.02213 -0.01868 -0.01667 6 3S 0.15957 -0.16749 -0.60343 -0.14648 0.42602 7 3PX 0.98735 -1.32643 1.05106 0.13346 -1.41702 8 3PY -0.38399 -0.39891 1.12550 -0.20293 -1.04064 9 3PZ -0.34613 0.28487 0.39951 0.18812 -0.24576 10 4XX 0.02790 -0.01032 -0.04562 0.02540 0.08130 11 4YY 0.00504 0.00772 0.06428 0.02821 -0.06361 12 4ZZ 0.00602 -0.02603 -0.02570 -0.04397 0.04126 13 4XY -0.00093 -0.00442 0.02910 -0.03450 -0.05834 14 4XZ -0.01326 0.02389 -0.00358 0.01867 -0.01027 15 4YZ -0.03076 0.06171 -0.04722 -0.03226 0.04988 16 2 C 1S 0.00160 0.00419 -0.02896 0.03715 0.00842 17 2S 0.21386 -0.04368 -0.69838 0.96477 -0.07913 18 2PX -0.23912 -0.00822 0.02621 -0.16313 0.42019 19 2PY -0.46649 -0.42530 -0.08964 -0.14040 -0.29190 20 2PZ -0.10133 0.02383 -0.07258 -0.09119 0.10790 21 3S -1.97300 0.91220 3.13915 -2.89519 -2.31409 22 3PX 1.77169 -0.16597 0.09306 1.21890 -1.36854 23 3PY 3.54421 3.67886 -0.19321 0.73023 1.72467 24 3PZ 0.69389 0.04092 0.13925 0.34458 -0.26771 25 4XX 0.03236 -0.04489 -0.07649 0.08582 0.01159 26 4YY -0.03705 0.07168 0.01801 0.06167 -0.08139 27 4ZZ 0.01304 -0.01966 -0.00759 -0.04191 0.05322 28 4XY -0.07676 -0.03055 -0.04905 -0.05739 -0.04098 29 4XZ 0.00823 -0.02422 -0.03324 0.00915 0.01726 30 4YZ 0.00306 -0.02301 -0.02636 -0.02084 -0.01616 31 3 C 1S -0.00168 -0.00373 -0.00404 -0.03281 -0.01303 32 2S 0.00466 0.00516 -0.36988 -0.80221 -0.44606 33 2PX -0.49651 -0.09348 -0.02231 -0.13958 0.17227 34 2PY -0.27127 -0.21190 -0.05660 -0.03634 -0.30023 35 2PZ -0.13547 -0.00548 0.00897 -0.00888 0.00701 36 3S 0.36854 0.26083 -0.34101 3.37521 0.80028 37 3PX 4.25994 1.85023 -0.33965 0.50282 0.82739 38 3PY 2.13424 0.95072 -0.11597 0.62112 1.57076 39 3PZ 0.91420 0.37442 -0.14997 0.06257 0.31292 40 4XX -0.04801 -0.02536 -0.04109 -0.04873 -0.03863 41 4YY 0.04917 0.00571 -0.05080 -0.06117 -0.01231 42 4ZZ 0.01210 0.02076 0.02860 0.01548 0.01850 43 4XY 0.08565 0.04975 -0.05611 0.08166 -0.01736 44 4XZ -0.01981 0.01371 -0.00515 0.00994 -0.01932 45 4YZ 0.01638 0.00873 -0.00003 0.01935 -0.02799 46 4 C 1S -0.02252 -0.01121 0.02588 -0.00122 0.00322 47 2S -0.75005 -0.44205 0.68225 -0.22484 0.12660 48 2PX -0.21893 -0.14518 -0.14406 -0.09655 0.07712 49 2PY 0.24725 -0.03528 -0.04309 -0.20062 0.00995 50 2PZ -0.00858 -0.03486 -0.03052 -0.03462 0.01254 51 3S 3.06905 1.06416 -3.07374 -0.44912 -0.02442 52 3PX 2.21237 1.27357 1.28194 -0.14002 0.51848 53 3PY -2.22932 -0.72337 -0.40714 0.71284 -1.01538 54 3PZ 0.18440 0.17529 0.22091 0.05823 -0.00735 55 4XX -0.02184 -0.02599 0.05967 -0.05966 -0.05681 56 4YY -0.11015 -0.04258 0.02626 0.00695 0.06990 57 4ZZ 0.02418 0.00730 0.00598 0.02427 -0.00677 58 4XY -0.08164 -0.00586 0.08084 0.01844 -0.02113 59 4XZ -0.00564 -0.02086 0.01022 -0.02570 -0.01081 60 4YZ -0.02637 -0.00428 0.02673 0.01074 -0.00748 61 5 C 1S -0.01270 0.00951 -0.02416 0.02672 0.00865 62 2S -0.42173 0.23447 -0.67153 0.66109 0.53260 63 2PX 0.06316 -0.05772 0.07929 -0.16241 0.37178 64 2PY -0.05899 0.06632 0.11132 0.11126 -0.07409 65 2PZ 0.01210 -0.01277 0.02588 -0.01767 0.05263 66 3S 2.35141 -1.54556 2.58680 -3.16169 0.49909 67 3PX -0.16827 -0.25017 -0.42786 0.43577 -1.28289 68 3PY -0.50273 -1.67668 -1.50472 -1.24789 -0.31789 69 3PZ -0.08667 -0.13065 -0.20102 -0.02753 -0.21381 70 4XX -0.07804 0.06113 -0.09053 0.09497 -0.00209 71 4YY 0.00846 -0.01866 0.00561 -0.02407 0.10286 72 4ZZ 0.01264 -0.01110 -0.00015 0.01295 -0.04629 73 4XY 0.04091 -0.00754 0.01005 -0.04776 0.02035 74 4XZ -0.00969 0.00561 -0.01315 0.01451 0.00126 75 4YZ 0.01442 -0.01270 -0.00794 -0.02180 0.01919 76 6 C 1S 0.01227 0.01658 -0.00497 -0.03034 -0.01353 77 2S 0.42422 0.55853 0.01811 -0.86723 -0.17709 78 2PX -0.06763 0.31414 -0.01367 0.03933 0.08833 79 2PY -0.07971 0.05043 -0.16088 -0.02543 -0.29473 80 2PZ -0.03208 0.07372 -0.00783 0.01129 -0.00615 81 3S -1.30330 -1.98145 0.56630 3.13360 2.64037 82 3PX -0.04626 -3.24062 -0.22052 -1.17001 0.72627 83 3PY 0.20350 -1.01724 0.50010 -0.04729 1.24288 84 3PZ 0.07144 -0.69957 -0.00824 -0.21389 0.19023 85 4XX 0.04100 -0.01657 0.03490 -0.00890 0.06160 86 4YY 0.02901 0.11783 -0.03595 -0.10789 -0.05055 87 4ZZ -0.00737 -0.02315 -0.00543 0.01053 -0.02987 88 4XY -0.02088 -0.00780 -0.01069 0.04273 0.06336 89 4XZ -0.00291 0.01668 0.01600 0.00815 0.02561 90 4YZ -0.00334 0.01531 -0.00912 -0.00429 0.01708 91 7 C 1S 0.00490 0.00389 0.02853 0.00530 0.01477 92 2S 0.11051 0.05846 1.02926 0.43283 0.21818 93 2PX -0.08777 0.29012 0.16286 -0.16351 -0.03446 94 2PY -0.02713 -0.48645 -0.16880 -0.06949 0.10230 95 2PZ 0.02617 -0.03557 0.00012 -0.05222 -0.00523 96 3S -1.36711 0.10124 -2.32047 -0.15362 -2.29569 97 3PX -0.87203 -2.63113 -0.63552 0.30310 1.05823 98 3PY 0.67952 3.73545 0.57440 -0.04432 -0.93622 99 3PZ -0.22594 -0.01992 -0.07079 0.06283 0.17311 100 4XX 0.03550 0.08259 0.09585 -0.01222 0.03805 101 4YY -0.03366 -0.04201 0.06728 0.09540 -0.03490 102 4ZZ 0.00247 -0.03365 -0.02818 -0.03193 0.01253 103 4XY 0.04057 0.00206 0.04197 -0.01614 0.05065 104 4XZ 0.01957 0.00908 0.01566 -0.00568 0.01530 105 4YZ -0.01059 0.01984 0.01564 0.01335 0.02231 106 8 H 1S -0.05446 -0.09639 0.12596 -0.07291 0.19221 107 2S 0.18554 -0.69765 0.33840 0.00073 0.17492 108 9 H 1S 0.04740 0.05495 -0.15714 -0.30993 -0.42501 109 2S 0.07311 0.12668 -0.28643 -0.50348 -0.68173 110 10 H 1S -0.10166 0.09021 -0.19307 0.38737 -0.28071 111 2S -0.21193 0.15711 -0.38486 0.67238 -0.48926 112 11 H 1S -0.12845 -0.00521 0.34510 0.11879 -0.10569 113 2S -0.31250 0.01407 0.59088 0.25663 -0.12029 114 12 H 1S 0.05920 0.05992 0.11819 -0.14520 0.21895 115 2S 0.44457 0.27368 -0.11667 -0.17836 0.43691 116 13 C 1S 0.01925 -0.02226 0.00656 -0.00492 -0.01735 117 2S 0.76362 -1.05021 0.12234 0.02095 -0.30270 118 2PX -0.05918 0.12130 0.15116 0.09869 -0.08367 119 2PY 0.05486 -0.09574 -0.06984 0.06380 0.04522 120 2PZ 0.04371 -0.00509 0.07496 0.04515 -0.04986 121 3S -1.96185 2.63759 -0.84542 0.13634 1.60697 122 3PX 0.19381 -0.17588 -0.60650 -0.29137 0.49040 123 3PY 0.03744 -0.07224 0.09247 -0.16714 -0.15083 124 3PZ -0.20856 0.49850 -1.01139 -0.20277 0.97057 125 4XX 0.08345 -0.09672 0.06836 0.03471 -0.06547 126 4YY 0.02389 -0.01269 -0.04076 0.02065 0.07318 127 4ZZ 0.00490 -0.02549 -0.02136 -0.06073 -0.03418 128 4XY -0.02185 -0.02914 -0.02289 -0.03250 0.01361 129 4XZ 0.01320 0.00473 -0.05068 -0.02497 0.03263 130 4YZ -0.02780 0.03538 0.04368 0.02461 -0.02779 131 14 C 1S 0.00942 -0.01375 -0.00209 0.01958 0.01793 132 2S 0.19685 -0.33796 -0.12684 0.30670 0.32821 133 2PX 0.04109 0.04767 -0.07667 -0.02115 0.04839 134 2PY -0.17149 0.19105 -0.03023 -0.02886 0.07026 135 2PZ 0.06444 -0.07649 0.07434 0.01502 -0.06660 136 3S -0.21323 0.29214 0.94001 -0.59831 -1.51632 137 3PX -0.30092 0.33058 -0.23007 -0.12817 0.29755 138 3PY 0.48597 -0.48844 0.11488 0.14614 -0.22613 139 3PZ -0.16542 0.12223 0.09717 0.04858 -0.00710 140 4XX 0.04678 -0.06326 0.01588 0.02074 -0.01581 141 4YY 0.00843 -0.00264 0.00258 0.04725 0.03186 142 4ZZ -0.01363 -0.00323 -0.02684 -0.01065 0.02465 143 4XY 0.01524 -0.00181 0.00934 0.01201 -0.00932 144 4XZ 0.01702 -0.03176 0.05996 0.03675 -0.04775 145 4YZ 0.00313 0.02312 -0.01654 0.00611 0.00846 146 15 H 1S 0.00562 -0.06937 0.04155 0.08200 0.06123 147 2S -0.14804 0.14338 -0.15664 0.10339 0.28212 148 16 H 1S -0.00264 -0.00336 -0.09112 0.02485 0.10908 149 2S 0.15851 -0.16807 -0.10747 0.13490 0.20486 150 17 H 1S 0.01646 -0.04022 0.06908 0.11399 0.02142 151 2S 0.42230 -0.47122 -0.04605 0.18450 0.02078 152 18 H 1S -0.02883 0.14648 -0.24638 -0.17657 0.13538 153 2S 0.38184 -0.47061 -0.30131 0.05938 0.25136 154 19 H 1S 0.03099 0.03200 -0.24699 -0.07317 0.23224 155 2S 0.06152 -0.00418 -0.17242 0.02396 0.23354 156 20 H 1S -0.02980 0.06644 0.15491 0.01788 -0.05796 157 2S -0.37999 -0.09337 0.60226 -0.19090 -0.37042 96 97 98 99 100 V V V V V Eigenvalues -- 1.17514 1.19654 1.22439 1.28185 1.32546 1 1 C 1S 0.01765 -0.00034 0.02091 0.00603 0.02813 2 2S 0.23537 0.20078 0.47295 0.06052 0.52407 3 2PX -0.02306 -0.04800 -0.19967 0.07341 0.18869 4 2PY -0.28351 -0.13002 0.09446 -0.00472 -0.01130 5 2PZ -0.06611 -0.03329 -0.06226 0.09033 0.04563 6 3S -0.77278 -0.10655 -0.17466 -0.30954 -0.87278 7 3PX 0.55970 -1.01454 -0.18586 -0.16740 -1.07484 8 3PY 0.84744 -0.93876 0.30047 -0.24901 -0.30917 9 3PZ 0.57237 -0.26579 0.41712 -0.59375 -0.10048 10 4XX 0.00350 0.01518 0.09085 -0.00854 0.00635 11 4YY 0.10544 -0.04148 0.08908 -0.04747 0.02687 12 4ZZ -0.06574 0.05289 -0.09571 0.06127 0.04409 13 4XY -0.02880 -0.14651 0.02640 0.00099 0.04107 14 4XZ 0.06276 -0.07401 0.11070 -0.09018 0.15784 15 4YZ -0.07886 0.05992 -0.06644 0.03468 -0.15916 16 2 C 1S 0.00721 0.00147 0.01998 -0.00968 0.02105 17 2S -0.02605 0.19336 0.76260 -0.23333 0.52420 18 2PX 0.25489 -0.13284 0.26338 -0.14728 0.06191 19 2PY 0.02206 -0.42894 0.17398 -0.12914 -0.16215 20 2PZ -0.04639 0.01779 -0.01311 0.02090 -0.02959 21 3S -0.71705 -0.07535 -1.54944 0.38326 -2.05847 22 3PX 0.44393 0.06726 -1.74393 0.59725 -0.15652 23 3PY 0.28881 5.08405 -1.62804 0.99879 0.96910 24 3PZ 0.24984 0.19875 -0.31656 0.13979 0.09530 25 4XX 0.05974 -0.00090 0.11998 -0.03494 0.11928 26 4YY -0.03338 0.00540 0.03496 0.02401 -0.00963 27 4ZZ -0.02537 0.01848 -0.06112 -0.01739 -0.08026 28 4XY 0.00317 0.00519 -0.00721 0.07819 0.01236 29 4XZ -0.05900 0.06372 -0.06104 -0.01017 -0.20194 30 4YZ -0.07259 0.02459 -0.14271 -0.26746 0.08427 31 3 C 1S 0.00540 -0.02839 0.00021 -0.00246 -0.00993 32 2S 0.30837 -0.60893 -0.27919 0.00365 -0.24725 33 2PX -0.22222 -0.07003 -0.00289 0.01350 0.08326 34 2PY 0.16608 0.17008 -0.13087 0.05288 0.01019 35 2PZ 0.00360 -0.00230 0.01567 -0.02281 -0.00760 36 3S -0.32615 4.32386 -1.29542 0.94015 1.15173 37 3PX 1.67835 2.15861 0.12613 0.03026 0.55851 38 3PY 0.37161 -0.67397 -0.75514 0.01668 -0.30046 39 3PZ 0.17579 0.39954 -0.15453 0.10996 0.02042 40 4XX 0.01532 0.06672 -0.07737 -0.06523 -0.00713 41 4YY -0.00503 -0.12067 -0.05029 -0.00530 -0.02279 42 4ZZ 0.01072 -0.01260 0.07170 0.08205 0.00916 43 4XY -0.03072 0.10574 -0.04032 -0.00124 0.02932 44 4XZ 0.06840 -0.00896 0.11419 0.25495 -0.04605 45 4YZ 0.04760 -0.03813 0.06091 0.05644 0.13491 46 4 C 1S -0.01333 0.01713 -0.00143 0.00287 -0.00211 47 2S -0.21860 0.75493 0.15229 0.01838 0.02382 48 2PX 0.15957 0.15639 0.01229 -0.00008 0.00851 49 2PY 0.24392 0.17315 0.04260 -0.04682 -0.03016 50 2PZ 0.04235 0.03838 0.00097 0.00191 -0.00110 51 3S 2.36966 -0.63870 0.52967 -0.47813 0.37429 52 3PX -0.55189 -0.14739 0.88616 -0.21564 0.45437 53 3PY -1.41770 -0.12083 0.63709 0.03349 0.64794 54 3PZ -0.14490 -0.06642 0.25416 -0.08467 0.14727 55 4XX 0.02852 0.04160 0.05056 0.05346 -0.03916 56 4YY -0.02985 0.06170 0.01927 -0.03084 0.03012 57 4ZZ -0.03157 -0.02601 -0.03576 -0.02470 0.01709 58 4XY -0.10784 -0.01166 0.01102 -0.01212 0.00456 59 4XZ -0.04166 0.02940 -0.08495 -0.21136 0.06694 60 4YZ 0.02260 -0.02142 0.09322 0.19529 0.01527 61 5 C 1S 0.01059 -0.00543 0.00025 -0.00387 0.00524 62 2S 0.50055 -0.29987 -0.16406 -0.06369 0.08724 63 2PX 0.16531 -0.04187 0.02377 -0.03292 0.05596 64 2PY -0.00476 0.07453 -0.02776 0.02719 0.03264 65 2PZ 0.03114 -0.00659 0.00378 -0.00360 0.00670 66 3S -0.43642 0.24106 0.03153 0.30632 -0.26549 67 3PX 0.07885 -0.50634 -1.34311 0.57177 -0.69376 68 3PY 0.55105 0.08696 0.37505 -0.13444 0.21123 69 3PZ 0.03455 -0.04585 -0.22102 0.09841 -0.13085 70 4XX 0.02712 -0.05493 -0.03941 0.02244 -0.03572 71 4YY 0.05724 0.00797 0.02033 0.02782 0.00992 72 4ZZ -0.02800 0.00771 -0.01336 -0.04890 0.02720 73 4XY -0.01374 -0.05652 0.05724 0.04346 -0.00659 74 4XZ 0.01109 -0.02816 -0.01744 -0.06702 0.07788 75 4YZ -0.04540 0.01147 -0.10708 -0.29210 0.05981 76 6 C 1S -0.00655 -0.00485 0.00698 -0.00015 -0.00135 77 2S -0.35431 -0.21282 0.50623 -0.11988 -0.01427 78 2PX -0.00369 -0.05476 0.06982 -0.04913 -0.07233 79 2PY 0.20970 0.19110 -0.10841 0.00557 -0.06320 80 2PZ 0.02892 0.00330 0.01492 -0.02092 -0.01582 81 3S -0.47028 -0.13259 -0.12876 0.01123 0.46034 82 3PX 0.18565 0.30159 0.37168 0.01638 0.38890 83 3PY 0.01473 -1.51021 -0.71915 0.44911 0.27806 84 3PZ -0.00695 -0.07791 -0.01790 0.07545 0.06567 85 4XX -0.10040 -0.03551 -0.01780 -0.06866 0.03064 86 4YY 0.01038 0.03623 0.06868 -0.05256 0.00117 87 4ZZ 0.04383 -0.00113 0.01332 0.10540 -0.03307 88 4XY 0.03349 -0.05454 0.00535 -0.05153 0.03972 89 4XZ 0.02317 -0.02467 0.11132 0.27361 -0.05519 90 4YZ -0.00085 0.00227 0.02870 0.09381 -0.09165 91 7 C 1S -0.00326 0.02277 -0.02206 0.00915 -0.00108 92 2S -0.01249 0.14504 -0.63729 0.18160 -0.09627 93 2PX 0.35235 0.14958 0.08791 -0.12786 -0.00315 94 2PY 0.12780 0.12178 0.03687 0.03153 0.12191 95 2PZ 0.02426 0.03353 -0.01608 0.01869 -0.03006 96 3S -0.22657 -3.97850 2.15082 -1.01993 -0.42395 97 3PX -1.62256 -1.44821 1.37780 -0.27216 -0.03214 98 3PY -1.02268 1.79189 -0.05309 -0.05161 -0.69444 99 3PZ -0.29996 -0.05882 0.26740 -0.11975 -0.02810 100 4XX -0.01945 -0.00345 -0.04631 0.10470 0.00595 101 4YY 0.04454 -0.02445 -0.03398 -0.05138 -0.00021 102 4ZZ -0.00843 0.03021 -0.00671 -0.03080 -0.01819 103 4XY 0.08278 0.09234 -0.06780 -0.00880 0.03690 104 4XZ -0.05060 0.02530 -0.11605 -0.20457 -0.00088 105 4YZ 0.03223 0.02764 0.05312 0.20879 -0.15410 106 8 H 1S 0.46281 0.16300 -0.40432 0.10722 0.06954 107 2S 0.72665 0.15379 -0.57144 0.23769 0.31969 108 9 H 1S -0.01575 0.35721 0.27548 -0.11219 -0.05731 109 2S 0.06478 0.52434 0.36374 -0.17213 -0.10357 110 10 H 1S 0.08027 -0.18839 -0.39766 0.12886 -0.15674 111 2S 0.05169 -0.23371 -0.53278 0.20104 -0.24067 112 11 H 1S -0.52221 0.08586 0.26418 0.00455 0.17593 113 2S -0.81035 0.07159 0.34121 0.02412 0.29310 114 12 H 1S 0.05760 -0.59114 -0.17326 -0.03159 -0.17400 115 2S -0.05314 -0.91754 -0.16825 -0.10537 -0.35459 116 13 C 1S -0.00955 -0.01058 -0.02696 0.01859 0.02095 117 2S -0.15421 -0.30284 -0.29686 0.33690 0.39976 118 2PX 0.16692 -0.02643 0.06544 -0.13878 -0.04709 119 2PY -0.04326 -0.02446 0.06325 0.00547 0.00407 120 2PZ 0.10465 -0.01578 0.05839 -0.03348 0.00988 121 3S 0.07253 1.38814 1.19794 -1.05987 -1.58799 122 3PX -0.94158 0.62146 -0.57087 0.42740 -1.13469 123 3PY -0.10478 -0.01868 -0.29678 0.08056 -0.31189 124 3PZ -0.87007 0.92117 -0.38928 0.36796 0.26318 125 4XX 0.04930 -0.03016 -0.01397 -0.02401 0.02975 126 4YY -0.04311 0.10918 -0.02812 0.01401 -0.08559 127 4ZZ -0.04036 -0.08364 -0.01898 0.04039 0.08269 128 4XY -0.06251 -0.00572 -0.05889 0.07168 -0.04695 129 4XZ -0.06898 0.06548 -0.08668 0.04388 -0.05947 130 4YZ 0.07635 -0.03449 0.07918 -0.08415 -0.01648 131 14 C 1S -0.00683 0.02394 0.01688 -0.02956 -0.09962 132 2S -0.11167 0.25936 0.38785 -0.49189 -1.50165 133 2PX -0.06029 0.07561 -0.09541 0.07470 0.15900 134 2PY 0.01533 0.06364 -0.00280 -0.00422 0.08112 135 2PZ 0.02562 -0.04258 -0.01929 -0.02191 -0.03022 136 3S 0.92074 -1.45715 -0.69463 1.07949 4.47676 137 3PX -0.26668 0.34453 -0.01373 -0.05075 -0.81632 138 3PY 0.04174 -0.20268 0.10067 -0.06471 -0.21100 139 3PZ 0.17259 -0.06970 0.21453 -0.05012 -0.01027 140 4XX 0.00072 -0.00613 -0.00853 -0.00955 -0.05468 141 4YY 0.01991 0.02661 0.06910 -0.05264 -0.03471 142 4ZZ -0.03054 0.01180 -0.00058 -0.00605 -0.10201 143 4XY 0.02801 -0.00514 0.02707 -0.03099 0.05451 144 4XZ 0.07424 -0.06164 0.06094 -0.03989 0.03410 145 4YZ 0.00837 0.01687 0.02677 -0.03039 0.03433 146 15 H 1S 0.00004 0.06948 0.08147 -0.10554 -0.34662 147 2S -0.01600 0.19856 0.20074 -0.17960 -0.33024 148 16 H 1S -0.08992 0.13718 0.02271 -0.06949 -0.38738 149 2S -0.14983 0.20095 0.01894 -0.18070 -0.53870 150 17 H 1S 0.04257 0.05401 0.11455 -0.15300 -0.36745 151 2S -0.05139 -0.02735 0.16006 -0.17124 -0.54415 152 18 H 1S -0.26318 0.18039 -0.23759 0.18840 0.09913 153 2S -0.40775 0.24381 -0.27187 0.28688 0.20827 154 19 H 1S -0.14931 0.17443 -0.04365 0.13401 0.13952 155 2S -0.11064 0.20636 0.10729 0.28080 0.33790 156 20 H 1S 0.20343 -0.16935 0.15687 -0.03748 0.01407 157 2S 0.32583 -0.13723 0.02812 0.03872 0.19491 101 102 103 104 105 V V V V V Eigenvalues -- 1.41483 1.43519 1.45343 1.46263 1.47392 1 1 C 1S 0.06004 0.04185 0.03059 0.04633 0.02206 2 2S 1.15563 0.59106 0.42029 0.50914 0.09990 3 2PX -0.19174 -0.00019 0.02772 -0.01800 0.18959 4 2PY 0.10866 0.02111 0.08258 -0.03622 0.01482 5 2PZ -0.06376 0.02038 -0.02366 -0.10186 0.02973 6 3S -2.41188 -1.89132 -1.18484 -2.31647 -2.28638 7 3PX -0.44211 0.35655 -0.10929 0.93590 0.51749 8 3PY -0.51675 0.14446 -0.12235 0.58194 -0.52964 9 3PZ 0.13419 0.01151 0.02807 0.45819 -0.17665 10 4XX 0.02842 0.04820 0.06511 0.11255 -0.00828 11 4YY 0.06212 0.00356 -0.03417 -0.00126 0.03001 12 4ZZ 0.02101 0.01019 0.01216 -0.06384 -0.00644 13 4XY 0.03783 0.00160 -0.00385 -0.01612 0.06025 14 4XZ 0.09101 -0.03576 -0.12685 -0.24580 0.04413 15 4YZ -0.02513 0.07054 0.09778 0.22352 0.04148 16 2 C 1S -0.04492 0.00056 0.00217 0.00380 -0.00113 17 2S -0.65935 0.13234 0.12364 0.17567 -0.11857 18 2PX 0.18983 0.05894 0.07918 -0.03090 -0.35864 19 2PY -0.06648 0.07624 0.22092 0.06308 0.06269 20 2PZ 0.05767 -0.09502 0.02621 -0.03397 -0.01334 21 3S 3.41772 0.02933 -0.25442 0.00849 -0.14252 22 3PX -1.97569 0.28018 0.04937 0.98983 3.36035 23 3PY 0.68044 -0.97958 -0.08595 -2.23442 -0.22099 24 3PZ -0.42181 0.28143 0.08109 0.24384 0.46531 25 4XX -0.01886 -0.01645 -0.04659 -0.06444 -0.02801 26 4YY -0.04526 -0.00866 0.02002 -0.01032 -0.01166 27 4ZZ 0.04869 0.03400 0.03195 0.08585 0.02203 28 4XY 0.00239 -0.03134 -0.07743 -0.02337 -0.04194 29 4XZ -0.11969 0.12771 0.11484 0.33066 -0.03451 30 4YZ -0.00061 -0.04713 -0.06019 -0.10203 0.17913 31 3 C 1S 0.01667 0.00185 -0.02851 0.01896 -0.01079 32 2S 0.40083 0.00949 -0.61484 0.34074 -0.09094 33 2PX -0.20339 -0.04749 -0.08377 -0.00489 0.16811 34 2PY 0.12049 0.02589 -0.20416 0.14487 0.03657 35 2PZ -0.03143 0.03997 -0.03240 0.02919 0.04124 36 3S -1.22297 -0.37607 2.53469 -2.20483 1.52671 37 3PX 0.26114 -0.13877 -0.79465 -0.05643 -0.87062 38 3PY -1.58872 -0.12688 2.78246 -1.45326 1.35650 39 3PZ -0.06451 -0.13049 0.02701 -0.26279 0.06140 40 4XX 0.05895 -0.05795 -0.00718 0.05746 -0.01762 41 4YY -0.06621 0.01759 -0.01500 0.00293 0.05028 42 4ZZ 0.02713 0.04161 0.00541 -0.04805 -0.01482 43 4XY -0.03591 0.01104 -0.04311 0.02087 0.03300 44 4XZ -0.00844 0.16311 -0.10309 -0.18931 -0.05577 45 4YZ 0.04667 -0.23032 -0.01238 -0.07447 -0.06121 46 4 C 1S 0.01064 -0.00153 0.02759 -0.01997 -0.00314 47 2S 0.17965 -0.03589 0.58091 -0.43569 -0.11500 48 2PX 0.16059 -0.02726 0.04125 -0.07729 -0.13300 49 2PY -0.09598 -0.01287 0.20914 -0.10130 0.02360 50 2PZ 0.01579 0.08398 0.00613 -0.04959 -0.05329 51 3S -1.17974 0.01741 -2.42897 1.55073 -0.25779 52 3PX -0.87677 0.04945 -1.93288 1.26392 0.14316 53 3PY -0.73821 0.09446 -2.21236 1.48323 0.46014 54 3PZ -0.19948 0.06126 -0.49191 0.33915 -0.00917 55 4XX 0.04863 0.08716 -0.05396 -0.05249 -0.04078 56 4YY -0.08100 0.01981 0.04587 -0.05019 -0.00417 57 4ZZ 0.04130 -0.10600 0.02594 0.09371 0.04023 58 4XY -0.01041 0.07364 -0.05609 0.01980 -0.00575 59 4XZ 0.03636 -0.28138 0.10214 0.20312 -0.03171 60 4YZ -0.00029 -0.30646 -0.00645 -0.06295 0.13492 61 5 C 1S -0.02900 -0.00184 -0.00177 0.00277 0.01012 62 2S -0.60535 -0.03719 -0.04003 0.05932 0.23462 63 2PX -0.20878 -0.02255 -0.05980 0.04106 0.06929 64 2PY 0.06128 -0.00149 -0.23619 0.11884 -0.03232 65 2PZ -0.04030 0.06501 -0.03324 0.01773 0.01593 66 3S 2.31963 0.19442 0.22184 -0.22216 -0.87967 67 3PX 3.14902 0.16633 0.17934 -0.31366 -1.12090 68 3PY -0.63824 0.06100 0.00992 0.20004 0.28752 69 3PZ 0.49539 -0.01097 0.06449 0.02660 -0.15707 70 4XX -0.00511 0.09677 -0.05780 -0.01834 0.00917 71 4YY -0.07572 -0.02987 0.02288 -0.03802 0.03886 72 4ZZ 0.06735 -0.06632 0.03503 0.06093 -0.03591 73 4XY -0.01603 0.01405 -0.08773 0.05068 0.04240 74 4XZ 0.03378 -0.35752 0.04708 0.07823 -0.07570 75 4YZ 0.00608 0.14635 0.01546 0.07976 -0.19275 76 6 C 1S 0.01368 0.00022 -0.02726 0.01342 -0.00635 77 2S 0.27939 0.04447 -0.56014 0.34432 -0.15893 78 2PX 0.18004 -0.01163 0.05782 -0.03875 -0.13683 79 2PY -0.04512 -0.02700 0.19761 -0.12237 0.02853 80 2PZ 0.02555 0.07367 -0.00501 -0.07349 0.02461 81 3S -1.34808 -0.14347 2.39469 -1.42845 0.06622 82 3PX -0.45946 0.11027 1.02709 -0.34245 0.13046 83 3PY 1.65286 0.24326 -2.64398 1.53022 -0.62455 84 3PZ 0.00827 0.02385 -0.04891 -0.00964 0.00543 85 4XX 0.05875 0.05361 -0.03738 -0.06373 -0.05683 86 4YY -0.06261 -0.05466 -0.01635 0.02798 -0.01738 87 4ZZ 0.01786 0.00516 0.03926 0.05036 0.06932 88 4XY -0.02940 -0.02385 -0.04351 0.08706 -0.01817 89 4XZ -0.00588 -0.20540 0.05466 0.15377 0.06089 90 4YZ -0.06729 0.32114 -0.11699 -0.17860 0.14990 91 7 C 1S 0.01397 -0.00493 0.02715 -0.02728 -0.00504 92 2S 0.26046 -0.03293 0.59711 -0.43105 -0.13248 93 2PX -0.29706 -0.01439 -0.06455 0.07961 0.05295 94 2PY 0.07380 0.00841 -0.20042 0.09568 -0.04812 95 2PZ -0.07050 0.01504 -0.03418 -0.00737 -0.03494 96 3S -1.17396 0.75000 -2.37391 3.11599 0.74811 97 3PX 0.80572 0.18898 2.12382 -0.97400 -1.05044 98 3PY 0.85393 -0.52183 1.97053 -2.14275 -0.62268 99 3PZ 0.26929 0.01265 0.50961 -0.29887 -0.24417 100 4XX 0.04668 -0.10438 0.00913 -0.01500 -0.03998 101 4YY -0.07097 -0.00401 0.03109 0.00105 0.03237 102 4ZZ 0.02174 0.10282 -0.02429 -0.00121 0.00698 103 4XY -0.01650 -0.04825 -0.05752 -0.00035 0.03460 104 4XZ -0.01246 0.23565 -0.08502 -0.18835 -0.00284 105 4YZ -0.05163 0.12610 0.05838 0.15019 -0.11032 106 8 H 1S -0.09819 0.00064 -0.50652 0.28181 0.22939 107 2S -0.39087 0.04047 -0.82759 0.57071 0.34780 108 9 H 1S -0.28268 -0.01406 0.46877 -0.21286 0.14513 109 2S -0.49513 -0.03603 0.84619 -0.41087 0.23297 110 10 H 1S 0.57607 0.02468 0.02941 -0.05210 -0.19761 111 2S 1.02066 0.05001 0.05842 -0.09317 -0.35912 112 11 H 1S -0.17475 0.02737 -0.47983 0.32553 0.11786 113 2S -0.29804 0.04810 -0.87308 0.58998 0.19765 114 12 H 1S -0.20168 0.02013 0.47640 -0.15051 0.22856 115 2S -0.52344 -0.04201 0.80105 -0.34237 0.45213 116 13 C 1S -0.03000 0.00587 0.01115 0.00566 -0.00321 117 2S -0.31979 0.10190 0.16903 0.00403 -0.02755 118 2PX -0.14475 0.07813 0.02479 0.13903 -0.12608 119 2PY 0.00205 -0.00201 0.04902 0.04306 0.00066 120 2PZ -0.00772 0.03247 0.00095 0.03294 -0.02493 121 3S 2.09521 -0.60604 -0.61604 -0.44415 0.74973 122 3PX 0.31089 -1.07056 -0.74928 -1.36499 0.85506 123 3PY -0.25950 -0.10660 -0.19006 -0.17236 0.09219 124 3PZ 0.71544 -0.16404 0.08906 -0.49122 0.55050 125 4XX -0.02806 0.01523 -0.02278 -0.02356 0.08023 126 4YY 0.03087 0.04457 0.08659 0.12031 0.03473 127 4ZZ -0.01414 -0.05876 -0.06158 -0.10632 -0.08633 128 4XY -0.16123 -0.03503 -0.03068 -0.02576 -0.39882 129 4XZ -0.08652 0.00440 0.00711 0.01007 -0.07423 130 4YZ -0.02152 -0.05663 -0.11938 -0.11905 -0.20808 131 14 C 1S 0.01998 -0.03667 -0.03738 -0.03085 0.02781 132 2S 0.29256 -0.52095 -0.49638 -0.33287 0.31868 133 2PX -0.00014 0.01750 0.02835 -0.05396 0.00657 134 2PY 0.08148 0.02677 0.02296 0.00231 0.10102 135 2PZ -0.04559 0.00890 -0.00394 0.02643 0.01971 136 3S -1.34980 1.98342 1.72560 1.78540 -1.49940 137 3PX 0.41480 -0.46133 -0.39906 -0.46589 0.44019 138 3PY -0.06727 -0.06612 -0.04196 0.03011 0.04948 139 3PZ 0.10288 -0.11229 -0.11032 -0.14818 -0.03247 140 4XX -0.06554 -0.01033 -0.02729 -0.01717 -0.09142 141 4YY 0.13966 0.00834 0.04023 0.03142 0.26151 142 4ZZ -0.04392 -0.04780 -0.05764 -0.04193 -0.14180 143 4XY 0.12826 0.04093 0.05018 0.04231 0.34778 144 4XZ -0.00288 0.03116 0.02394 0.06318 0.08726 145 4YZ 0.12747 0.02931 0.03271 0.02269 0.23409 146 15 H 1S 0.04333 -0.14000 -0.14795 -0.12524 0.01457 147 2S 0.21258 -0.13336 -0.11854 -0.12996 0.08411 148 16 H 1S 0.06545 -0.12948 -0.13221 -0.11149 0.06901 149 2S 0.06641 -0.16415 -0.12193 -0.09754 0.16992 150 17 H 1S 0.11109 -0.12335 -0.13144 -0.08591 0.22015 151 2S -0.03005 -0.19590 -0.17147 -0.11313 0.00246 152 18 H 1S 0.01542 -0.05602 0.01802 -0.13222 0.06833 153 2S 0.09376 -0.09880 0.05863 -0.31048 0.25939 154 19 H 1S 0.28469 0.15685 0.16039 0.16091 0.14349 155 2S 0.38719 0.20581 0.15303 -0.07073 0.20614 156 20 H 1S 0.15358 0.20738 0.15737 0.30402 -0.02175 157 2S 0.20103 0.25091 0.12528 0.35425 -0.00461 106 107 108 109 110 V V V V V Eigenvalues -- 1.49843 1.50131 1.52178 1.55548 1.74154 1 1 C 1S 0.00315 -0.01462 0.00413 -0.10871 -0.01159 2 2S -0.10801 -0.15930 0.06066 -1.37088 -0.09470 3 2PX 0.08983 -0.01979 -0.01013 -0.08201 -0.19134 4 2PY -0.00336 -0.00452 -0.00031 -0.02871 0.03576 5 2PZ 0.05945 -0.00206 -0.01228 0.04220 0.11731 6 3S -0.87638 0.85675 -0.11687 6.72672 0.42771 7 3PX 0.24407 -0.22201 0.05108 -1.25945 -0.30510 8 3PY -0.38776 -0.05082 0.10373 0.47204 -1.25226 9 3PZ -0.32962 -0.07723 0.04398 -0.72389 -0.92126 10 4XX -0.04024 -0.02720 0.01459 0.12994 -0.19331 11 4YY 0.01691 0.01053 -0.00568 -0.07975 0.11155 12 4ZZ 0.01709 0.00378 -0.00452 -0.15954 0.08491 13 4XY 0.04408 0.00856 -0.01009 -0.02916 0.20514 14 4XZ 0.03287 0.06718 -0.03408 -0.03707 0.03380 15 4YZ -0.05976 -0.07213 0.00887 0.03146 -0.13984 16 2 C 1S -0.00367 0.00001 0.00040 0.01257 -0.00538 17 2S -0.15033 -0.00797 0.02759 -0.00781 0.15782 18 2PX -0.25764 0.04868 0.03044 0.38020 0.13421 19 2PY -0.00463 -0.03227 0.01077 -0.11981 -0.13662 20 2PZ 0.00531 0.00154 -0.00595 0.03520 0.01063 21 3S -0.02683 -0.04207 0.05004 -0.37180 0.01740 22 3PX 2.07574 -0.62045 -0.18548 -4.87152 -0.52646 23 3PY 0.37861 0.44626 -0.25292 1.33375 2.22296 24 3PZ 0.28010 0.07057 -0.00264 -0.58077 0.55430 25 4XX 0.00798 0.03657 -0.00124 0.08561 -0.27352 26 4YY 0.05975 -0.00088 0.01047 0.02532 0.11549 27 4ZZ -0.07682 -0.03648 -0.00750 -0.15494 0.16754 28 4XY 0.09871 0.00830 0.01395 -0.01963 0.07817 29 4XZ -0.16794 -0.12152 0.03345 0.11375 0.18819 30 4YZ -0.38110 0.05077 -0.12217 -0.04298 -0.04636 31 3 C 1S -0.00742 -0.00098 0.00265 0.00447 -0.00279 32 2S -0.07500 -0.01675 0.03706 0.13642 -0.02039 33 2PX 0.11407 0.00328 0.00449 0.01766 -0.00913 34 2PY 0.02071 -0.01343 0.01725 -0.07394 0.01006 35 2PZ -0.08774 -0.07753 -0.10269 -0.01745 0.02430 36 3S 1.22207 0.10068 -0.36017 -1.33973 0.74393 37 3PX -0.37434 0.17192 0.02350 0.74876 0.87980 38 3PY 0.94329 -0.05623 -0.22924 -1.73116 0.25784 39 3PZ 0.00929 -0.00300 0.01286 -0.00496 -0.00448 40 4XX -0.05709 0.09396 0.05770 0.03177 0.04033 41 4YY -0.01706 -0.02034 -0.05226 0.08413 -0.05690 42 4ZZ 0.08429 -0.07766 -0.00590 -0.15324 0.01314 43 4XY -0.03477 -0.00154 -0.05420 -0.03093 0.14615 44 4XZ 0.12275 -0.29309 -0.18628 0.06644 -0.07202 45 4YZ 0.29451 0.16228 0.37353 0.01148 -0.22089 46 4 C 1S -0.00070 0.00232 -0.00172 0.00218 0.00288 47 2S -0.05037 0.05773 -0.03008 0.17008 -0.01124 48 2PX -0.09260 0.02966 0.02206 0.18934 0.00386 49 2PY 0.01060 0.00260 0.00244 -0.05735 0.01200 50 2PZ 0.06509 0.00073 -0.11462 0.04427 -0.01111 51 3S -0.20898 -0.10431 0.18240 0.24334 0.47999 52 3PX 0.04321 -0.12187 0.08225 -0.33146 0.21747 53 3PY 0.18252 -0.17903 0.09190 -0.32653 -0.11443 54 3PZ 0.06995 -0.08331 0.08266 -0.08837 0.05846 55 4XX -0.03915 -0.05838 -0.09246 0.08562 -0.05341 56 4YY 0.04679 0.04179 -0.04475 0.06630 0.03282 57 4ZZ -0.00955 0.01700 0.13694 -0.16813 0.02673 58 4XY 0.04975 0.02604 -0.07562 0.02410 -0.03980 59 4XZ 0.01504 0.21712 0.31846 0.03200 0.03285 60 4YZ -0.26428 -0.26415 0.29267 -0.00216 -0.01520 61 5 C 1S 0.00616 -0.00151 -0.00002 -0.01027 0.00682 62 2S 0.14273 -0.03488 -0.00255 -0.21431 0.06064 63 2PX 0.04022 -0.03844 0.00084 -0.05526 0.00738 64 2PY -0.01783 -0.01545 0.00980 0.02918 -0.00044 65 2PZ 0.01618 0.15687 -0.00774 -0.00615 -0.00205 66 3S -0.54460 0.13198 -0.01026 0.69768 -0.54229 67 3PX -0.66693 0.15988 0.02002 0.86105 -0.43789 68 3PY 0.11969 -0.06753 0.01585 -0.24672 -0.07824 69 3PZ -0.10123 0.05278 0.00673 0.12408 -0.06652 70 4XX -0.01990 0.15475 -0.00177 0.07733 -0.05391 71 4YY -0.03485 -0.00642 0.01052 0.01857 0.04215 72 4ZZ 0.06307 -0.15087 -0.00938 -0.13410 0.01710 73 4XY -0.07172 0.01622 0.02413 -0.02086 -0.04251 74 4XZ 0.02579 -0.49850 0.00923 0.04525 0.04745 75 4YZ 0.36797 0.08045 -0.10912 0.04194 -0.02705 76 6 C 1S -0.00401 -0.00003 0.00085 0.00574 -0.00431 77 2S -0.13919 -0.00844 0.03043 0.21204 -0.19740 78 2PX -0.08197 0.01624 -0.01049 0.18369 -0.06736 79 2PY 0.03803 0.00469 -0.01840 -0.03387 0.02197 80 2PZ -0.08338 0.02255 0.11157 0.01874 -0.01521 81 3S 0.12817 0.10528 -0.05738 -0.14732 0.93593 82 3PX 0.08348 -0.00292 -0.00565 -0.42848 0.23226 83 3PY -0.46495 -0.03177 0.12403 0.64782 -0.71064 84 3PZ -0.08876 -0.03940 -0.04855 -0.01268 0.00984 85 4XX 0.01513 -0.07835 0.05671 0.06275 0.04092 86 4YY 0.02026 -0.02815 -0.04701 0.09026 -0.05899 87 4ZZ -0.04094 0.10451 -0.00760 -0.17134 0.02373 88 4XY 0.03689 -0.07171 -0.04555 -0.02420 -0.03575 89 4XZ -0.10897 0.29275 -0.19786 0.03859 0.04610 90 4YZ -0.19772 0.23039 0.39113 0.00317 -0.01427 91 7 C 1S 0.00056 0.00365 -0.00173 0.00446 0.01807 92 2S -0.04661 0.04927 -0.01714 0.07068 0.06570 93 2PX -0.00759 -0.00328 -0.01117 0.05753 -0.07742 94 2PY -0.04110 0.01160 -0.00021 0.09061 0.03307 95 2PZ 0.08116 -0.06958 0.11607 0.04054 0.00478 96 3S 0.00444 -0.50042 0.19745 -1.30694 -2.16596 97 3PX -0.72952 0.18082 0.04790 0.80961 0.09425 98 3PY -0.16527 0.32871 -0.12279 1.24848 0.93966 99 3PZ -0.07320 -0.00467 -0.05181 0.16960 -0.06670 100 4XX 0.01402 0.10394 -0.10856 0.07637 0.04995 101 4YY -0.04206 -0.00543 -0.03337 0.04285 -0.11946 102 4ZZ 0.03527 -0.09907 0.14130 -0.15080 0.05260 103 4XY -0.03409 0.02253 -0.07524 0.03087 -0.12961 104 4XZ -0.04653 -0.28052 0.33051 0.04983 0.02420 105 4YZ 0.25941 -0.01841 0.30783 0.08753 0.17115 106 8 H 1S 0.15264 -0.04926 0.00120 -0.31626 0.13477 107 2S 0.21369 -0.08582 0.00939 -0.44122 -0.17596 108 9 H 1S 0.09289 -0.00775 -0.02093 -0.21420 0.09587 109 2S 0.15851 -0.00755 -0.03569 -0.33634 0.17959 110 10 H 1S -0.11151 0.02656 0.00667 0.09703 -0.02221 111 2S -0.20736 0.05071 0.00939 0.21534 -0.08833 112 11 H 1S 0.05967 -0.04358 0.01521 -0.17665 0.00656 113 2S 0.09702 -0.07639 0.03044 -0.26112 0.00040 114 12 H 1S 0.13766 -0.03289 -0.02194 -0.39525 0.06108 115 2S 0.28888 -0.03955 -0.05847 -0.55894 -0.03192 116 13 C 1S -0.00549 -0.00117 0.00199 0.03331 0.01029 117 2S -0.04486 0.01144 -0.01188 0.40831 -0.15108 118 2PX -0.12643 -0.01245 0.04124 0.11996 0.08575 119 2PY -0.00742 0.00533 0.00378 0.07157 0.00068 120 2PZ -0.04285 -0.00757 0.00249 -0.01953 -0.09659 121 3S 0.66320 -0.04595 -0.12131 -2.62550 0.01710 122 3PX 1.13045 0.16802 -0.26312 -0.23402 0.12377 123 3PY 0.12794 0.00958 -0.02242 0.32974 0.11677 124 3PZ 0.47931 0.02412 -0.08399 -0.53292 1.16225 125 4XX 0.02808 0.00023 0.00234 0.03692 0.17873 126 4YY -0.02129 -0.05103 0.01747 0.02114 -0.27016 127 4ZZ -0.00454 0.04417 -0.02102 -0.06459 0.09279 128 4XY -0.12834 0.02507 0.01278 -0.21870 -0.01408 129 4XZ -0.03429 -0.01887 0.01220 -0.01143 -0.38128 130 4YZ -0.07845 0.06578 -0.00740 -0.22307 0.29478 131 14 C 1S 0.03265 0.00351 -0.00646 -0.03164 0.00526 132 2S 0.38329 0.05208 -0.08868 -0.28660 -0.04348 133 2PX 0.01074 0.00132 0.00140 -0.05726 0.03677 134 2PY 0.03112 -0.01289 -0.00019 0.00569 0.00737 135 2PZ -0.00342 -0.00590 0.00465 0.06832 0.09933 136 3S -1.77685 -0.21334 0.39022 1.47862 -0.21684 137 3PX 0.52046 0.03810 -0.10876 -0.49410 0.14667 138 3PY 0.04214 0.01352 -0.01304 0.03690 -0.07631 139 3PZ 0.04907 0.04064 -0.03061 -0.16197 -0.36499 140 4XX -0.03048 0.00733 0.00511 -0.06518 -0.12298 141 4YY 0.09395 -0.01896 -0.01178 0.13183 0.08569 142 4ZZ -0.03079 0.01571 -0.00065 -0.09429 0.03886 143 4XY 0.11585 -0.02887 -0.01060 0.19839 -0.01081 144 4XZ 0.00528 -0.00630 0.00162 0.22318 0.37459 145 4YZ 0.07435 -0.01626 -0.00690 0.02481 -0.04412 146 15 H 1S 0.08249 0.02505 -0.02206 -0.12536 0.07626 147 2S 0.09038 0.01737 -0.02308 -0.18268 -0.08419 148 16 H 1S 0.11439 0.00600 -0.02095 -0.14143 -0.04063 149 2S 0.12695 0.00872 -0.02139 0.02753 0.16683 150 17 H 1S 0.15562 0.00555 -0.02688 -0.03754 0.01388 151 2S 0.07683 0.03514 -0.02793 -0.00958 -0.08908 152 18 H 1S 0.08248 0.01071 -0.01089 0.07975 0.39136 153 2S 0.26212 0.05870 -0.06256 0.05017 0.44214 154 19 H 1S 0.07537 -0.04574 0.02360 -0.29246 0.19168 155 2S 0.15747 -0.05648 -0.01583 -0.27547 0.36292 156 20 H 1S -0.06629 -0.08345 0.04180 -0.40750 -0.33621 157 2S -0.08893 -0.08529 0.04554 -0.41138 -0.50379 111 112 113 114 115 V V V V V Eigenvalues -- 1.77034 1.79900 1.82380 1.82529 1.89573 1 1 C 1S -0.02099 0.00091 0.04465 -0.02842 0.04204 2 2S 0.13286 0.38150 0.22419 -0.43998 0.06598 3 2PX 0.16709 -0.19312 0.13221 0.08160 0.25691 4 2PY 0.05168 0.04892 0.00598 0.03197 -0.05027 5 2PZ -0.05794 -0.01736 0.00222 0.06720 0.05310 6 3S 0.63430 -0.56051 -2.32084 1.74521 -3.95872 7 3PX 0.45548 0.08980 0.31687 -0.64507 0.84258 8 3PY 0.33994 -0.08971 -1.39530 -0.14833 -0.20963 9 3PZ -0.49452 0.25798 -0.06020 -0.54307 0.27667 10 4XX -0.13982 -0.14484 0.31160 -0.07138 0.02822 11 4YY 0.07146 0.06490 -0.00014 -0.09083 0.00645 12 4ZZ 0.06370 0.06197 -0.30752 0.17241 0.00421 13 4XY -0.07332 0.03678 0.44246 -0.04264 -0.12988 14 4XZ 0.17553 -0.13864 0.22276 0.04291 0.04349 15 4YZ -0.14802 0.05354 0.20824 -0.15983 -0.05842 16 2 C 1S -0.00307 -0.01712 -0.00243 0.01437 0.05253 17 2S -0.00564 -0.16501 -0.21579 0.27835 0.55876 18 2PX 0.04128 0.08372 -0.28318 -0.02503 -0.29527 19 2PY 0.06279 -0.14036 -0.27027 -0.28248 0.11344 20 2PZ 0.03356 -0.00017 -0.06799 0.01078 -0.02353 21 3S -0.63938 1.29433 -0.31825 -1.58682 -8.09386 22 3PX 0.19818 -0.65244 3.18058 -0.35836 7.61162 23 3PY -0.90393 0.33102 3.15556 1.12539 -2.23386 24 3PZ 0.36583 -0.28822 0.89836 0.11605 1.08195 25 4XX -0.03408 -0.28367 0.08425 -0.04330 0.12594 26 4YY 0.06270 0.36334 0.07414 -0.06198 -0.00579 27 4ZZ -0.07286 -0.13031 -0.19455 0.14389 -0.23794 28 4XY 0.06840 0.00822 -0.25696 -0.24542 -0.00430 29 4XZ 0.22336 -0.11906 0.09020 -0.02442 0.04946 30 4YZ -0.02712 0.06171 -0.02225 -0.08045 0.01840 31 3 C 1S -0.00599 0.00764 -0.03388 -0.00456 -0.06429 32 2S -0.19088 -0.09852 -0.22353 -0.07244 -1.14474 33 2PX -0.04156 0.04049 0.16353 0.18848 0.08062 34 2PY -0.06406 -0.00446 0.07005 0.01871 -0.08945 35 2PZ 0.00664 -0.00103 0.03857 0.02843 0.00827 36 3S 0.42737 -1.28711 4.20419 1.31912 9.65557 37 3PX -0.38552 0.28444 0.64367 -0.01153 -2.60760 38 3PY 0.36454 -0.63558 1.80470 0.41580 6.00288 39 3PZ -0.19568 0.07929 0.18680 0.00874 0.00483 40 4XX 0.08003 0.29276 -0.02754 0.02373 0.07114 41 4YY 0.08217 -0.23602 0.06224 -0.08523 0.07416 42 4ZZ -0.19457 -0.15943 -0.03048 0.12105 -0.04731 43 4XY 0.06506 -0.05423 -0.07824 -0.28826 0.00496 44 4XZ -0.01782 0.12414 -0.03129 -0.06221 0.01650 45 4YZ -0.17807 0.08756 -0.07486 -0.14103 0.00010 46 4 C 1S 0.00076 -0.01510 0.00855 0.01271 0.06350 47 2S -0.03029 -0.44081 0.27224 0.35401 0.92500 48 2PX -0.01557 -0.19216 0.00962 -0.04339 0.02847 49 2PY -0.03293 0.05388 0.05285 0.15834 0.02039 50 2PZ -0.01837 -0.02319 0.00273 0.00200 0.00258 51 3S -0.69270 1.84152 -1.57426 -1.13570 -9.79504 52 3PX -0.38753 0.93522 -0.66099 -0.42017 -4.04223 53 3PY -0.27074 0.58361 -1.18200 -0.86268 -4.11856 54 3PZ -0.05122 0.18567 -0.19037 -0.13471 -0.98573 55 4XX 0.01151 0.25765 0.05228 0.21725 -0.00488 56 4YY 0.07420 -0.09529 -0.02344 -0.30600 -0.04147 57 4ZZ -0.13420 -0.22325 -0.06093 0.13142 -0.10083 58 4XY -0.01932 -0.10270 0.03263 0.11726 -0.14813 59 4XZ 0.08920 0.06092 0.04685 0.04104 0.01665 60 4YZ -0.00582 0.00481 0.00443 -0.02541 -0.02156 61 5 C 1S -0.01104 0.00704 -0.01202 -0.00355 -0.06366 62 2S -0.18052 -0.01446 -0.14425 0.00580 -1.09795 63 2PX -0.02560 -0.06108 -0.03342 -0.01371 -0.04645 64 2PY 0.02565 -0.09875 -0.09215 -0.21133 0.00367 65 2PZ -0.00301 -0.01774 -0.01383 -0.01784 -0.00887 66 3S 0.96655 -1.34933 1.19522 0.89569 9.24851 67 3PX 0.51473 -1.02901 0.62185 0.68185 5.89048 68 3PY -0.02773 0.35893 -0.34004 0.05437 -1.20901 69 3PZ 0.09393 -0.15284 0.09296 0.12225 0.91311 70 4XX 0.00852 0.06696 0.04017 0.10749 -0.12914 71 4YY 0.07536 0.10691 -0.00060 -0.21509 0.12616 72 4ZZ -0.11402 -0.25193 -0.05372 0.16410 0.08348 73 4XY -0.02410 0.20070 0.03644 0.26456 0.07723 74 4XZ 0.10086 0.04532 0.04472 0.04208 -0.02547 75 4YZ -0.00017 0.07187 0.00857 0.00708 0.01115 76 6 C 1S 0.00162 -0.01525 -0.00315 0.01036 0.06506 77 2S 0.01279 -0.46693 -0.12531 0.18273 0.98814 78 2PX -0.02423 -0.00192 -0.02527 0.20672 0.04167 79 2PY 0.00659 0.10414 0.08144 0.04255 -0.05870 80 2PZ -0.02519 0.01442 0.00550 0.02311 0.00006 81 3S -0.55308 1.88389 -1.16307 -0.75593 -9.73434 82 3PX 0.04118 0.40233 -0.49159 -0.37415 -1.90360 83 3PY 0.60877 -1.07435 0.05371 0.33407 5.60974 84 3PZ 0.10817 -0.03109 -0.09471 0.00152 0.08740 85 4XX 0.05091 0.08569 -0.02114 -0.25470 0.07534 86 4YY 0.01772 0.07108 0.05461 0.14914 -0.15477 87 4ZZ -0.11675 -0.21852 -0.06991 0.13472 -0.07044 88 4XY -0.02214 0.20314 0.05370 0.21309 0.10407 89 4XZ 0.11465 0.04366 0.02271 -0.02668 0.04397 90 4YZ -0.00960 0.06235 0.02471 0.03273 0.01208 91 7 C 1S -0.01222 0.00773 0.00233 0.00216 -0.06793 92 2S -0.17609 -0.05124 -0.08269 0.10520 -1.13138 93 2PX 0.00046 -0.11368 -0.04871 -0.17851 0.08508 94 2PY -0.00646 0.10680 0.16865 0.06731 -0.01249 95 2PZ 0.03231 -0.02228 -0.00768 0.00232 0.01499 96 3S 1.21068 -1.41979 -0.87317 -0.11562 10.22730 97 3PX 0.10231 0.67358 -1.78525 0.07337 -4.23145 98 3PY -0.58013 0.31399 0.28268 0.02520 -4.67395 99 3PZ -0.22735 0.22362 -0.28977 -0.09057 -1.04362 100 4XX 0.07871 -0.05669 0.01088 -0.26115 0.03481 101 4YY -0.03073 0.16958 0.14262 0.19623 0.03588 102 4ZZ -0.07779 -0.21087 -0.19718 0.14629 0.03408 103 4XY -0.06366 -0.24254 0.01842 0.02726 -0.02700 104 4XZ 0.03974 0.00258 0.06317 -0.08524 -0.00156 105 4YZ 0.23237 -0.11742 0.11212 0.08979 -0.00051 106 8 H 1S -0.01959 0.13515 0.09496 -0.04504 0.43409 107 2S 0.02496 -0.19489 0.46824 0.01609 1.40466 108 9 H 1S -0.08331 0.11710 0.03470 -0.04260 -0.23077 109 2S -0.17281 0.20900 -0.00816 -0.07274 -1.31284 110 10 H 1S 0.00231 -0.08713 0.01375 0.04512 0.57126 111 2S 0.08125 -0.30016 0.12219 0.18504 1.32882 112 11 H 1S -0.06255 0.10050 -0.16443 -0.12155 -0.23889 113 2S -0.13153 0.18688 -0.32559 -0.20621 -1.28101 114 12 H 1S 0.03489 0.12920 -0.08453 -0.08236 0.44332 115 2S 0.07404 -0.22196 0.28143 0.05386 1.49744 116 13 C 1S 0.00458 0.00153 -0.00913 0.00649 -0.00637 117 2S 0.10571 -0.05274 0.07228 -0.05451 -0.19036 118 2PX -0.06367 0.01717 -0.02621 -0.04713 -0.08817 119 2PY -0.04318 0.02830 -0.04240 0.02815 -0.04084 120 2PZ 0.05532 0.00266 -0.01776 -0.04573 0.00496 121 3S -0.64517 0.29406 0.72857 -0.23038 0.90668 122 3PX 0.45872 -0.11708 -0.19642 0.73047 0.29599 123 3PY 0.56091 -0.15534 -0.04881 0.13780 -0.21303 124 3PZ -1.08741 0.14262 0.19753 0.23590 0.70819 125 4XX 0.17616 -0.02981 -0.18764 0.19047 0.11587 126 4YY -0.26065 0.15272 -0.17570 -0.15292 0.06999 127 4ZZ 0.06711 -0.11462 0.40771 -0.05818 -0.16510 128 4XY -0.11342 0.07081 -0.08566 0.00853 0.04728 129 4XZ 0.21558 -0.01070 -0.10782 0.03480 0.00980 130 4YZ 0.19336 -0.06416 0.03031 0.01690 0.04744 131 14 C 1S 0.00999 0.00073 -0.00638 0.01177 0.01660 132 2S -0.13360 0.00594 0.18251 -0.09514 0.05166 133 2PX 0.10220 -0.00638 -0.08242 0.11904 0.06899 134 2PY 0.02997 -0.01518 -0.02859 0.02493 0.00279 135 2PZ -0.06273 -0.00097 -0.02410 0.00779 0.03352 136 3S 0.10566 -0.01096 -0.27468 -0.39254 -0.68946 137 3PX -0.16919 0.04313 0.11639 0.06688 0.26293 138 3PY -0.17559 0.03429 0.13023 -0.08434 0.04373 139 3PZ 0.53406 -0.06599 0.04221 0.06219 -0.24661 140 4XX 0.28951 -0.01326 -0.11055 0.11055 0.00933 141 4YY -0.20156 0.04539 -0.05014 -0.04374 0.03898 142 4ZZ -0.10044 -0.02264 0.16001 -0.07533 -0.05166 143 4XY 0.19585 -0.02490 -0.15697 0.07778 -0.08894 144 4XZ -0.45269 -0.01363 -0.11923 0.00219 0.22353 145 4YZ 0.32357 0.00973 -0.09855 0.05084 -0.11457 146 15 H 1S 0.08453 -0.00790 -0.03367 0.06080 0.05226 147 2S 0.12016 -0.01629 -0.00256 0.02922 -0.04292 148 16 H 1S 0.02090 0.02921 -0.08102 0.04876 0.11531 149 2S -0.24979 0.00281 0.07758 -0.00884 0.10320 150 17 H 1S 0.07153 -0.02966 -0.00680 0.05351 0.02934 151 2S -0.02826 -0.00665 0.08463 -0.03617 -0.02307 152 18 H 1S -0.25927 0.08169 -0.28257 0.13313 0.20125 153 2S -0.33360 -0.00423 0.04540 0.18493 0.18657 154 19 H 1S -0.03235 -0.04929 0.32719 -0.09173 0.13700 155 2S 0.13499 0.02881 0.17252 0.08445 0.07179 156 20 H 1S -0.11112 0.02141 0.00643 -0.08685 0.14925 157 2S 0.11911 0.06466 -0.33322 -0.18951 0.16164 116 117 118 119 120 V V V V V Eigenvalues -- 1.90834 1.92576 1.92904 1.98167 1.99639 1 1 C 1S -0.06535 0.06279 -0.01340 0.01246 0.01259 2 2S -0.65800 0.36442 -0.01455 -0.03343 -0.23652 3 2PX -0.05890 -0.02744 0.18110 0.02787 -0.01642 4 2PY -0.00841 -0.04529 0.05107 -0.00170 -0.12063 5 2PZ -0.02033 0.08150 -0.05465 0.03999 0.05806 6 3S 3.69429 -1.82385 0.90869 -0.47223 -0.13431 7 3PX -0.84172 -0.46643 0.07708 0.21636 0.45869 8 3PY 0.19300 0.06338 0.12528 0.11577 0.28729 9 3PZ -0.16043 -0.09087 -0.15917 -0.16398 -0.37644 10 4XX 0.01335 0.19709 0.00741 0.01071 -0.00981 11 4YY 0.02409 -0.19644 -0.01046 -0.05802 0.03045 12 4ZZ -0.04509 -0.02961 0.01417 0.04913 -0.02450 13 4XY 0.20811 -0.08138 -0.30326 -0.06532 -0.18722 14 4XZ -0.04798 0.14203 0.19191 -0.05685 -0.36970 15 4YZ 0.13107 -0.42908 0.17050 -0.15397 -0.33892 16 2 C 1S 0.02151 -0.03807 -0.02006 0.00229 0.00768 17 2S 0.16562 -0.82172 -0.64581 -0.02007 0.09191 18 2PX 0.31169 -0.07322 -0.04376 -0.02346 -0.03287 19 2PY -0.12869 0.04045 0.01071 0.25140 0.01727 20 2PZ 0.01964 0.01133 0.03679 0.01839 -0.04378 21 3S -0.69195 5.16564 3.64028 -0.30147 -0.89505 22 3PX -2.51743 -1.89398 -1.72631 0.55253 0.90145 23 3PY 1.44995 0.10814 -0.30174 -1.23966 -0.95781 24 3PZ -0.34951 -0.16265 -0.25333 0.08073 0.16754 25 4XX -0.09366 0.22168 0.21752 0.07021 0.11612 26 4YY 0.04082 -0.07632 -0.08312 -0.04088 -0.10419 27 4ZZ 0.06198 -0.12001 -0.06887 -0.02398 -0.01297 28 4XY -0.02500 -0.06180 0.00506 0.01628 0.12039 29 4XZ -0.02140 0.05932 0.04003 0.02431 0.12281 30 4YZ -0.00082 -0.05238 0.03866 -0.01599 -0.05757 31 3 C 1S 0.01226 0.02610 0.02174 0.00419 -0.00881 32 2S 0.05584 0.39456 0.18710 -0.01581 -0.30619 33 2PX 0.07496 0.06020 0.11069 0.10562 0.02020 34 2PY 0.06388 0.02232 -0.06504 0.10250 -0.14960 35 2PZ 0.01535 0.02130 0.00736 0.02066 -0.01757 36 3S -0.33893 -4.12350 -2.98793 -0.18795 0.98778 37 3PX 0.59788 0.40717 -0.21930 -0.77694 -0.51643 38 3PY -0.65886 -2.56301 -1.82314 0.44148 0.61272 39 3PZ 0.08060 -0.23368 -0.18042 -0.11790 -0.02498 40 4XX -0.00856 0.02461 0.00255 0.15362 -0.03590 41 4YY -0.18567 0.11031 0.08929 -0.34129 0.21574 42 4ZZ 0.23134 -0.20027 -0.14856 0.14025 -0.18200 43 4XY 0.15532 0.02400 -0.03054 0.22137 -0.10850 44 4XZ -0.01244 -0.02547 0.02756 0.00529 0.02794 45 4YZ 0.04877 -0.13975 -0.02869 -0.05117 0.02797 46 4 C 1S 0.01764 -0.03263 -0.01856 0.00842 -0.00015 47 2S 0.15652 -0.56525 -0.31739 0.18014 0.03836 48 2PX 0.21897 0.02692 0.03912 -0.00133 -0.00221 49 2PY 0.00118 -0.07331 -0.01330 0.19381 -0.02922 50 2PZ 0.04276 -0.01669 0.00831 0.01436 0.00509 51 3S 0.00786 4.13880 2.57479 -1.27876 -0.83852 52 3PX 0.01445 1.63833 0.94538 0.09826 -0.52820 53 3PY 0.08987 2.34725 1.76453 -0.21680 -0.24911 54 3PZ 0.00267 0.48201 0.28280 0.00049 -0.11548 55 4XX -0.10879 0.00098 0.06966 -0.02191 0.10949 56 4YY -0.10235 0.01049 -0.10408 -0.20907 -0.03331 57 4ZZ 0.23288 0.01214 0.07238 0.18844 -0.08161 58 4XY -0.34137 -0.11966 -0.12917 -0.41412 0.06011 59 4XZ -0.11229 0.04084 -0.00732 -0.06718 0.03513 60 4YZ -0.08003 -0.04174 -0.05837 -0.10831 0.05100 61 5 C 1S 0.01764 0.02883 0.02566 -0.00380 -0.00614 62 2S 0.00063 0.41447 0.34220 -0.04044 -0.08308 63 2PX 0.07903 0.03587 0.05757 0.04815 0.00619 64 2PY 0.00481 -0.01393 -0.06900 0.18629 -0.07351 65 2PZ 0.01412 0.00810 0.00512 0.02230 -0.00705 66 3S -0.47602 -4.57463 -3.34896 0.38895 0.84118 67 3PX 0.25391 -2.50950 -1.65721 0.16781 0.67511 68 3PY -0.25130 0.61743 0.61731 -0.56508 0.18907 69 3PZ 0.01724 -0.37122 -0.22040 -0.00998 0.11172 70 4XX -0.44030 -0.21544 -0.23680 0.00539 -0.02833 71 4YY 0.19066 0.14597 0.08359 -0.01342 0.01834 72 4ZZ 0.24991 -0.03483 0.08918 0.00666 0.01426 73 4XY 0.13053 0.08573 0.19770 0.12396 0.12480 74 4XZ -0.15465 0.01799 0.00257 0.01734 -0.06437 75 4YZ 0.02517 -0.00317 0.04589 0.01335 0.01723 76 6 C 1S 0.01491 -0.03166 -0.01477 -0.00474 0.01208 77 2S 0.08237 -0.52388 -0.33298 -0.13844 0.13738 78 2PX 0.15040 0.05427 0.11392 0.07842 0.03135 79 2PY -0.06561 0.03285 0.02591 0.19678 -0.01844 80 2PZ 0.02487 0.00830 0.00420 0.02810 0.02253 81 3S -0.13926 4.14359 2.80325 0.25392 -1.30308 82 3PX -0.34283 0.70358 0.46789 -0.42169 -0.13990 83 3PY -0.28505 -2.79200 -1.94337 0.31376 0.61974 84 3PZ -0.08805 -0.06237 -0.03404 -0.04726 -0.01327 85 4XX 0.14010 0.09459 0.01378 -0.17483 0.03188 86 4YY -0.31638 -0.11349 -0.13015 0.42579 -0.12262 87 4ZZ 0.20495 0.03941 0.13400 -0.24122 0.04633 88 4XY 0.17412 0.08422 0.17524 -0.20870 0.13174 89 4XZ -0.01630 0.04792 0.03709 -0.00399 -0.06525 90 4YZ -0.01858 0.01880 0.00690 0.02993 0.01112 91 7 C 1S 0.01723 0.02425 0.01933 -0.01377 -0.00877 92 2S -0.02956 0.38599 0.40569 -0.13505 0.02938 93 2PX 0.09776 0.03936 0.00535 -0.00261 0.03244 94 2PY 0.01372 -0.08582 -0.11670 0.11811 -0.16533 95 2PZ 0.01221 0.01130 0.00669 0.01164 -0.01255 96 3S -1.13129 -3.80182 -2.66389 1.48016 1.45480 97 3PX -0.04527 1.64813 1.32146 0.22037 -0.44871 98 3PY 0.83346 2.05001 1.40161 -0.44980 -0.61600 99 3PZ 0.08381 0.33995 0.23193 -0.01760 -0.04818 100 4XX -0.06041 0.00747 -0.05197 0.10836 -0.01872 101 4YY 0.00647 0.03336 0.00648 0.13663 -0.04768 102 4ZZ 0.07383 -0.10728 0.02876 -0.18251 0.10605 103 4XY -0.12344 -0.00857 -0.05339 0.40214 -0.04929 104 4XZ -0.04008 0.03121 -0.01640 0.08860 -0.04113 105 4YZ -0.06829 0.06723 0.14154 0.10769 -0.15154 106 8 H 1S 0.08826 -0.22682 -0.13892 -0.45795 0.14292 107 2S -0.14026 -0.62933 -0.41203 0.08543 0.12425 108 9 H 1S 0.33780 0.34138 0.32625 -0.47875 0.10924 109 2S 0.01395 0.63517 0.42350 -0.05271 -0.16310 110 10 H 1S 0.48143 0.03262 0.15136 0.05298 0.12227 111 2S 0.06980 -0.60319 -0.41445 0.05528 0.12787 112 11 H 1S 0.35588 0.30860 0.30015 0.47516 -0.10764 113 2S -0.03429 0.64307 0.44862 -0.05606 -0.09803 114 12 H 1S 0.07923 -0.23805 -0.16958 0.44985 -0.15197 115 2S -0.27036 -0.55665 -0.32639 0.12287 0.22601 116 13 C 1S 0.00446 -0.03628 0.02425 -0.00039 0.00373 117 2S 0.00737 -0.60028 0.67428 0.09312 0.06659 118 2PX 0.08868 -0.13241 -0.04437 0.06544 0.27916 119 2PY 0.03550 0.03871 -0.10279 0.02648 0.05855 120 2PZ -0.04435 -0.10604 0.15808 -0.00280 -0.02598 121 3S -0.69778 2.01000 -1.58384 -0.12330 -0.37868 122 3PX -0.19321 0.55864 -0.00410 0.06171 -0.16292 123 3PY 0.20935 -0.52599 0.37526 0.02984 0.13997 124 3PZ -0.70154 0.99320 -0.25952 0.02485 -0.28510 125 4XX 0.00241 0.20747 -0.20707 -0.09681 -0.15123 126 4YY -0.16015 -0.13497 0.23788 0.00227 -0.04512 127 4ZZ 0.13611 -0.10421 0.01567 0.08298 0.19540 128 4XY -0.07231 0.05909 -0.06765 0.03555 -0.04963 129 4XZ 0.09400 0.02085 0.01917 -0.12956 -0.42523 130 4YZ -0.18289 -0.33513 0.49995 0.00310 -0.06004 131 14 C 1S -0.00950 0.02936 -0.02197 -0.00236 -0.00877 132 2S -0.09076 0.12210 -0.06868 0.07519 0.15485 133 2PX -0.01001 0.13408 -0.08938 -0.04450 -0.11813 134 2PY 0.02032 0.02411 -0.01822 -0.00331 0.00520 135 2PZ -0.02357 0.01047 -0.00811 -0.00207 0.00836 136 3S 0.56000 -1.35034 0.69452 -0.09573 0.06973 137 3PX -0.28524 0.40194 -0.12243 0.10013 0.07980 138 3PY -0.01001 0.20608 -0.23883 -0.03196 0.01374 139 3PZ 0.21616 -0.13854 -0.05539 0.06820 0.33245 140 4XX 0.09618 0.12026 -0.22138 -0.13073 -0.26097 141 4YY -0.12772 -0.11292 0.25608 0.06046 -0.07715 142 4ZZ 0.02321 -0.02249 -0.02287 0.07997 0.35687 143 4XY 0.12150 -0.09363 -0.02354 0.01629 0.02683 144 4XZ -0.18443 0.14940 0.10852 -0.07282 -0.33064 145 4YZ 0.02922 -0.23300 0.08071 0.08597 0.20530 146 15 H 1S -0.06209 0.03280 -0.01600 0.00360 -0.00145 147 2S 0.03437 0.01885 -0.01959 0.02804 0.07536 148 16 H 1S -0.06636 0.16293 -0.07058 -0.07378 -0.30650 149 2S -0.08201 0.08787 0.00885 -0.00040 -0.05320 150 17 H 1S 0.06416 0.17355 -0.23115 -0.03627 0.01770 151 2S 0.01528 0.04743 -0.05898 -0.00244 0.02613 152 18 H 1S -0.28136 0.05016 0.20253 0.03118 -0.01433 153 2S -0.19455 0.22974 0.06386 0.02672 -0.10543 154 19 H 1S -0.24076 0.33988 -0.11516 0.10953 0.30074 155 2S -0.18696 0.17720 0.01122 0.03283 -0.02467 156 20 H 1S -0.23371 0.39636 -0.12880 0.05266 -0.00574 157 2S -0.17498 0.13955 0.06296 0.07743 0.06778 121 122 123 124 125 V V V V V Eigenvalues -- 2.03732 2.06866 2.07231 2.12372 2.14079 1 1 C 1S 0.02303 0.03309 0.00000 0.00123 0.00147 2 2S 0.05813 0.29422 -0.29918 0.06165 -0.00456 3 2PX 0.08130 0.07617 0.01827 0.08238 0.02503 4 2PY 0.01888 0.02597 -0.02397 0.06502 -0.00052 5 2PZ 0.03139 -0.03408 0.06669 -0.00477 0.00323 6 3S -0.77578 -1.19226 0.64358 -0.08670 0.28361 7 3PX 0.41354 -0.00482 0.22379 -0.22212 -0.10725 8 3PY -0.26685 -0.66974 0.42304 -0.29283 -0.13962 9 3PZ 0.04767 0.07866 -0.19816 -0.09518 -0.21659 10 4XX 0.06214 0.13633 0.07697 -0.05159 -0.06522 11 4YY -0.21814 -0.02495 -0.20953 -0.04149 0.22733 12 4ZZ 0.14848 -0.11853 0.16797 0.09485 -0.16696 13 4XY 0.12391 -0.11027 0.06593 -0.25293 -0.00268 14 4XZ -0.22483 -0.18609 0.01884 -0.04178 -0.05494 15 4YZ 0.09172 0.21632 -0.22411 0.08091 -0.07060 16 2 C 1S -0.01331 -0.01110 0.01480 0.00352 -0.04265 17 2S 0.07283 -0.46339 -0.27193 -0.04807 -0.61378 18 2PX -0.14394 0.10620 0.07930 -0.02943 0.21246 19 2PY -0.06326 0.02707 -0.13018 -0.00530 -0.03620 20 2PZ -0.05317 -0.02074 0.02863 0.01336 0.03692 21 3S 0.67749 1.39045 -0.48885 0.04623 1.49168 22 3PX 1.01101 0.13845 0.24101 0.03870 -0.85661 23 3PY 0.59267 0.27124 0.10592 0.07114 0.34143 24 3PZ -0.03501 -0.26857 0.16404 -0.09759 -0.14731 25 4XX 0.07006 0.10055 0.01881 -0.07373 -0.01030 26 4YY -0.03157 -0.11264 -0.00523 0.02128 0.41763 27 4ZZ 0.02104 -0.04790 -0.06780 0.06454 -0.48224 28 4XY -0.25142 0.07730 -0.19659 -0.32913 0.01096 29 4XZ 0.09762 0.24083 -0.07311 -0.02510 0.12977 30 4YZ -0.05896 0.01264 -0.06455 0.04400 -0.03322 31 3 C 1S -0.00319 0.00038 0.00102 -0.00580 -0.01921 32 2S 0.08079 0.05151 0.32846 0.18486 -0.16468 33 2PX 0.10101 -0.04400 -0.13435 0.08784 -0.15120 34 2PY 0.07906 -0.00846 0.20945 0.17463 -0.10907 35 2PZ 0.02410 0.00276 -0.01927 0.03055 -0.04612 36 3S 0.25688 -0.27517 0.05794 -0.30104 -0.04093 37 3PX 0.13823 0.14138 0.40337 -0.29815 -0.39467 38 3PY -0.19757 -0.02845 0.04169 -0.14796 -0.05521 39 3PZ 0.14831 0.19804 0.01461 0.05599 -0.10604 40 4XX 0.02640 -0.15219 -0.06824 0.26233 0.19648 41 4YY -0.00868 0.10247 -0.02165 -0.26350 0.00829 42 4ZZ 0.00748 0.02919 0.18052 0.03429 -0.26043 43 4XY -0.32320 0.22994 0.23345 -0.06958 0.08414 44 4XZ 0.05036 0.07624 -0.06165 0.03516 0.17144 45 4YZ 0.15074 0.34645 -0.11150 0.11134 -0.03611 46 4 C 1S -0.00308 -0.00745 0.00193 -0.01276 0.00998 47 2S -0.25379 0.15980 0.05017 -0.46505 0.07192 48 2PX -0.03885 0.08976 0.07401 -0.16469 -0.16974 49 2PY -0.14809 0.11590 -0.05853 -0.17079 0.17248 50 2PZ -0.00695 0.03712 0.00521 -0.03774 -0.00653 51 3S 0.59816 0.24003 -0.31678 0.46497 0.11521 52 3PX 0.29184 0.04536 -0.21969 0.20702 -0.18923 53 3PY 0.29775 0.17113 -0.22597 0.53375 0.34509 54 3PZ 0.05770 0.01293 -0.05013 0.01865 0.05769 55 4XX 0.08204 -0.11196 -0.35263 -0.04894 -0.12971 56 4YY -0.07355 0.11314 0.35945 0.24168 -0.04051 57 4ZZ -0.06788 0.05328 -0.01205 -0.30097 0.19684 58 4XY 0.04229 -0.13233 -0.01815 -0.05864 0.06703 59 4XZ -0.02274 -0.12739 -0.02634 -0.05569 0.04143 60 4YZ 0.08006 0.09315 0.00085 0.01949 0.08334 61 5 C 1S -0.00097 0.00165 -0.00591 -0.00475 0.03663 62 2S 0.25402 -0.24020 -0.45617 -0.10921 0.52186 63 2PX 0.16062 -0.19501 -0.24490 -0.02612 0.17031 64 2PY -0.02116 0.01559 0.06127 0.16522 0.03403 65 2PZ 0.01618 -0.04648 -0.03263 0.00459 0.02667 66 3S -0.80889 -0.32102 0.99200 -0.01851 -1.22128 67 3PX -0.40082 -0.17646 0.57714 -0.00360 -0.82095 68 3PY -0.09687 0.13213 -0.29045 -0.07403 0.18350 69 3PZ -0.11974 -0.09986 0.10485 -0.01846 -0.15097 70 4XX -0.22299 0.24697 0.07410 -0.08942 -0.02780 71 4YY 0.19577 -0.12129 0.02273 0.17594 -0.34419 72 4ZZ 0.02776 -0.20474 -0.16802 -0.12111 0.45275 73 4XY -0.06555 0.10733 -0.23127 -0.30126 -0.17695 74 4XZ -0.18004 -0.10058 0.10248 -0.04880 -0.15040 75 4YZ 0.02766 0.06248 -0.03105 -0.04219 -0.03455 76 6 C 1S -0.00946 -0.00888 -0.00132 0.00365 0.01975 77 2S -0.11504 -0.14633 0.28699 0.37261 0.37474 78 2PX -0.02569 0.04460 0.05203 0.15611 -0.11359 79 2PY 0.00906 0.04784 -0.16333 -0.19421 -0.21764 80 2PZ 0.00594 0.02629 -0.01054 0.00861 -0.03903 81 3S 0.31223 0.92859 -0.90475 0.04078 -0.02452 82 3PX 0.01363 0.09649 -0.29774 0.15205 -0.22680 83 3PY -0.44379 -0.57551 0.48970 0.28461 0.06589 84 3PZ -0.04007 -0.01942 -0.02404 0.11270 -0.08059 85 4XX 0.22623 -0.15636 -0.00180 -0.01766 -0.19287 86 4YY -0.17577 0.22471 -0.00549 -0.09397 -0.04891 87 4ZZ -0.06936 -0.06026 0.04608 0.21202 0.34637 88 4XY -0.17463 0.27404 0.25112 -0.04064 -0.10334 89 4XZ -0.03157 -0.08448 0.01365 0.01569 -0.21638 90 4YZ -0.09034 -0.04203 0.09874 -0.12084 0.00979 91 7 C 1S -0.00250 0.00416 -0.00465 0.01193 -0.00719 92 2S -0.29442 0.35157 -0.09147 -0.04775 -0.14239 93 2PX 0.18566 -0.20078 -0.02643 -0.02789 -0.17441 94 2PY 0.07831 -0.09266 0.02518 0.11937 0.26429 95 2PZ 0.03621 -0.04936 0.01265 0.00477 0.00631 96 3S -0.07777 -1.19138 0.64348 -0.16871 -0.29955 97 3PX -0.43752 0.60173 -0.30771 0.58739 -0.01396 98 3PY 0.27882 0.45802 -0.49869 -0.12529 0.25005 99 3PZ 0.07794 0.30021 -0.14394 0.03285 0.09127 100 4XX 0.17816 -0.13062 -0.29328 -0.29692 -0.01871 101 4YY 0.02852 0.13283 0.32989 0.22174 0.21508 102 4ZZ -0.26326 0.03538 -0.01983 0.06826 -0.24023 103 4XY 0.22357 -0.04820 -0.13547 0.17941 0.02590 104 4XZ 0.08123 -0.04462 -0.08762 0.00573 -0.06029 105 4YZ -0.13191 -0.23783 0.06197 0.09617 -0.07866 106 8 H 1S -0.20014 0.02990 0.10842 -0.21037 -0.10437 107 2S 0.02893 -0.19525 0.14414 -0.02424 0.00374 108 9 H 1S 0.09466 -0.00336 0.09040 0.04630 0.01155 109 2S 0.10986 0.14301 -0.12601 -0.07718 -0.05834 110 10 H 1S 0.17733 -0.15960 -0.12514 -0.02051 -0.04267 111 2S -0.11653 -0.03265 0.16458 0.01023 -0.23815 112 11 H 1S -0.02002 0.11167 -0.05478 -0.01072 0.01170 113 2S 0.08765 0.03442 -0.07748 0.14659 0.02540 114 12 H 1S -0.18510 0.02666 0.11232 0.17590 0.03536 115 2S -0.03691 0.01292 -0.02646 -0.02563 0.03607 116 13 C 1S 0.00820 -0.00732 0.00848 0.00647 0.00664 117 2S -0.17374 -0.22565 0.10653 0.13125 -0.00066 118 2PX -0.06856 -0.24339 0.13155 -0.08779 -0.04079 119 2PY 0.01655 -0.02776 0.03570 0.00011 -0.01799 120 2PZ -0.03315 -0.02755 0.00055 0.05391 -0.01331 121 3S 0.31923 0.85296 -0.50048 -0.10438 -0.08051 122 3PX 0.20518 0.18014 0.19237 0.32159 0.21281 123 3PY 0.24953 0.05397 0.19974 -0.13772 0.08152 124 3PZ 0.04800 0.37592 -0.25614 0.22174 0.09537 125 4XX 0.10199 0.18847 -0.12314 0.12408 0.03700 126 4YY -0.13979 -0.36071 0.14908 -0.03725 0.06651 127 4ZZ 0.02512 0.15416 -0.03103 -0.07116 -0.10310 128 4XY 0.29545 -0.01837 0.30954 -0.35519 0.01564 129 4XZ -0.05900 -0.04859 -0.00884 -0.18974 -0.03462 130 4YZ 0.23503 0.17915 0.02993 0.08811 0.01816 131 14 C 1S 0.00982 0.01074 -0.00082 -0.00002 0.00134 132 2S 0.02753 -0.02778 0.08903 -0.06087 -0.02417 133 2PX 0.03221 0.07029 -0.03791 0.03273 0.01792 134 2PY -0.02751 0.01468 -0.03925 0.03629 -0.01476 135 2PZ 0.03796 0.03042 -0.00329 0.02172 0.00063 136 3S -0.35067 -0.42522 -0.09755 -0.10258 -0.10354 137 3PX 0.04790 -0.02174 0.12586 -0.02745 0.01986 138 3PY -0.35200 -0.07500 -0.28474 0.29033 -0.09350 139 3PZ 0.05698 0.00194 0.08123 0.15625 -0.00617 140 4XX 0.11547 0.24474 -0.16356 0.01693 0.08212 141 4YY 0.06233 -0.21398 0.29209 -0.34570 0.03444 142 4ZZ -0.19483 -0.04883 -0.13029 0.34220 -0.11428 143 4XY 0.09582 0.03901 0.03308 -0.06290 -0.09009 144 4XZ 0.13749 0.22277 -0.07033 -0.04452 -0.03507 145 4YZ 0.41575 0.08019 0.31089 -0.16540 0.06564 146 15 H 1S 0.30736 0.18572 0.12234 -0.05840 0.07500 147 2S 0.05497 0.02151 0.05115 -0.01473 0.00231 148 16 H 1S 0.02372 -0.00161 0.01833 -0.21131 0.05892 149 2S 0.03248 0.05935 -0.00831 -0.02061 0.00845 150 17 H 1S -0.10579 0.12536 -0.24089 0.23856 -0.08675 151 2S -0.07012 -0.02918 -0.02474 0.04758 -0.01217 152 18 H 1S 0.07177 -0.02779 0.06439 0.19566 0.12478 153 2S -0.08035 0.03870 -0.06528 0.12033 0.00866 154 19 H 1S -0.00257 0.24978 -0.09675 0.01963 0.16919 155 2S 0.02223 0.06504 -0.05142 0.07386 0.02026 156 20 H 1S 0.19659 -0.04785 0.23503 -0.07182 -0.16778 157 2S -0.13771 -0.15318 -0.02530 -0.06041 0.02029 126 127 128 129 130 V V V V V Eigenvalues -- 2.15279 2.18204 2.21217 2.22106 2.27001 1 1 C 1S -0.00827 0.00171 0.02467 0.00478 -0.00423 2 2S 0.01897 -0.01000 0.09189 0.22253 -0.09153 3 2PX 0.03486 -0.07490 -0.05838 -0.06954 -0.07122 4 2PY 0.03689 -0.04584 -0.04197 0.03316 -0.01893 5 2PZ -0.03708 0.00167 0.05432 -0.01009 0.04110 6 3S 0.13180 -0.19795 -0.67714 -0.65956 0.49497 7 3PX -0.05497 -0.18815 0.03007 -0.06950 -0.29737 8 3PY -0.13567 -0.41320 -0.27469 0.16162 0.23933 9 3PZ -0.00958 -0.10082 0.44732 0.27868 0.22533 10 4XX 0.01435 0.07593 0.02548 0.06110 0.08718 11 4YY -0.00747 0.00884 -0.10284 -0.42636 -0.36112 12 4ZZ -0.00793 -0.08451 0.08479 0.30957 0.28770 13 4XY -0.04409 0.04280 0.08465 -0.32475 0.18616 14 4XZ 0.00666 -0.00358 -0.08564 -0.04907 0.34802 15 4YZ 0.06899 -0.02196 0.30941 0.04260 0.06644 16 2 C 1S 0.01109 0.00853 -0.00602 -0.00128 0.00437 17 2S 0.13775 0.14058 0.03602 -0.08118 0.03333 18 2PX -0.06922 -0.03079 0.07539 -0.02861 0.01408 19 2PY 0.01281 0.11587 0.07307 -0.07528 0.06521 20 2PZ -0.01278 -0.01195 0.01325 -0.01736 0.02629 21 3S -0.24070 -0.37683 0.01908 -0.24045 -0.41388 22 3PX 0.12225 0.29510 0.37418 -0.10270 -0.32074 23 3PY 0.12499 1.22459 0.62519 -0.89881 0.97656 24 3PZ -0.02438 0.20268 0.05328 -0.12178 0.12717 25 4XX -0.01729 -0.04457 0.14369 -0.02731 -0.03984 26 4YY -0.05182 -0.02662 -0.04228 0.12164 0.02562 27 4ZZ 0.10261 0.07740 -0.14455 -0.15260 -0.01790 28 4XY 0.00276 0.04514 0.04327 0.05755 0.03556 29 4XZ -0.05079 0.01112 -0.30343 -0.01766 0.01430 30 4YZ -0.33657 -0.00596 0.13845 0.08249 0.12401 31 3 C 1S 0.00360 -0.02334 -0.01638 0.00700 -0.01262 32 2S 0.06523 -0.39028 -0.23920 0.01566 -0.24523 33 2PX 0.08881 0.18778 0.05394 -0.19737 0.04170 34 2PY 0.05503 -0.07889 -0.05969 -0.02738 -0.06614 35 2PZ -0.01785 0.03240 -0.00588 -0.03113 0.02116 36 3S -0.04944 1.15191 0.75577 -0.33852 0.58509 37 3PX 0.09279 0.42299 0.38008 -0.32367 0.73631 38 3PY -0.00666 0.68677 0.42026 -0.05611 0.29264 39 3PZ -0.22467 0.11530 0.09446 -0.06398 -0.02752 40 4XX -0.08197 0.25423 0.04625 0.08017 0.02014 41 4YY -0.01556 -0.07859 0.11581 -0.12687 0.03758 42 4ZZ 0.10831 -0.24550 -0.19719 0.07333 -0.09416 43 4XY 0.00785 0.04782 0.08970 -0.03000 0.11340 44 4XZ 0.28626 0.05170 0.04033 0.02364 0.19779 45 4YZ -0.38181 0.03723 -0.04555 -0.02022 -0.07885 46 4 C 1S -0.00681 -0.02895 -0.01183 0.01679 -0.01224 47 2S -0.12976 -0.36153 -0.05091 0.12258 -0.01663 48 2PX -0.00324 -0.15629 -0.03134 -0.06680 -0.03559 49 2PY -0.07979 -0.02899 0.04525 0.07043 0.07638 50 2PZ 0.03329 -0.03518 -0.00672 -0.00334 0.02885 51 3S 0.14691 0.53732 0.25796 -0.43743 0.46325 52 3PX 0.07997 0.31896 0.14049 -0.20990 0.18496 53 3PY 0.03978 0.09534 -0.00879 -0.22796 -0.17556 54 3PZ 0.29186 0.04590 -0.14342 -0.06586 0.30511 55 4XX -0.08467 0.23526 0.06649 -0.08134 0.06988 56 4YY 0.00858 0.10412 0.07390 -0.06377 -0.04409 57 4ZZ 0.04557 -0.43051 -0.15446 0.16655 -0.03356 58 4XY -0.12743 -0.17059 -0.03553 0.17217 -0.16720 59 4XZ 0.42954 0.08049 0.04768 -0.02549 0.17130 60 4YZ 0.27849 0.00092 -0.32864 -0.02724 0.37314 61 5 C 1S -0.01012 -0.00514 0.00158 0.01066 0.00456 62 2S -0.13520 -0.05643 0.01809 0.11413 0.04298 63 2PX -0.03769 0.04118 0.01381 0.01669 0.04384 64 2PY 0.03426 0.22973 0.08533 -0.11380 0.10461 65 2PZ -0.00790 0.02095 0.05481 0.00159 -0.01870 66 3S 0.20862 0.29606 -0.02718 0.08410 0.03305 67 3PX 0.15905 0.17822 -0.08149 -0.09726 0.00864 68 3PY -0.03633 0.04140 0.02728 -0.03274 0.03854 69 3PZ -0.00379 0.02388 0.31581 0.03361 -0.30489 70 4XX -0.01198 0.01310 -0.13530 0.02808 0.18045 71 4YY 0.08463 0.05299 -0.04048 -0.15464 -0.12667 72 4ZZ -0.09782 -0.05979 0.17188 0.17620 -0.02953 73 4XY -0.06060 -0.01331 0.02152 -0.11713 0.04687 74 4XZ 0.03024 -0.02218 0.50635 0.05512 -0.37698 75 4YZ 0.32092 -0.03971 -0.01715 -0.01707 0.20439 76 6 C 1S -0.00307 0.02866 0.01149 -0.00603 0.01644 77 2S -0.02712 0.32112 0.06564 0.01030 0.07132 78 2PX 0.07795 0.14164 0.02812 -0.16312 -0.02758 79 2PY 0.02637 -0.05530 0.01080 -0.07031 0.00884 80 2PZ -0.01955 0.03375 -0.02072 -0.03924 -0.00833 81 3S 0.12657 -0.79611 -0.25088 -0.11018 -0.42236 82 3PX 0.16154 -0.16662 -0.07927 0.04211 -0.23019 83 3PY -0.01118 0.42565 0.08066 0.18523 0.11868 84 3PZ -0.22254 0.01422 -0.27432 -0.03847 0.21779 85 4XX 0.12301 -0.23940 -0.17848 0.11388 -0.15757 86 4YY -0.05252 -0.01928 -0.02157 -0.05648 0.05664 87 4ZZ -0.06977 0.33357 0.21586 -0.07592 0.11110 88 4XY -0.04101 -0.08174 -0.10017 -0.01713 -0.01392 89 4XZ -0.27957 -0.12586 0.04478 0.05824 -0.02258 90 4YZ 0.37210 -0.10098 0.41293 0.08670 -0.32422 91 7 C 1S 0.00793 0.02919 0.00813 -0.02180 0.01249 92 2S 0.08131 0.40457 0.17815 -0.33378 0.15259 93 2PX 0.01367 -0.15089 -0.09266 0.07083 -0.09656 94 2PY -0.04418 -0.02725 -0.00813 0.04186 0.02023 95 2PZ 0.03770 -0.04083 -0.05557 0.00025 -0.01859 96 3S -0.27361 -0.99374 -0.44469 1.22659 -0.64242 97 3PX 0.13565 -0.20956 -0.18874 -0.07659 -0.33503 98 3PY 0.05173 0.67152 0.33875 -0.68346 0.49861 99 3PZ 0.31146 0.02010 0.08730 -0.02002 -0.21020 100 4XX 0.07414 -0.15663 0.03495 0.07283 0.02828 101 4YY 0.00715 -0.13000 -0.08850 0.09894 -0.17299 102 4ZZ -0.07109 0.35914 0.08438 -0.21197 0.17946 103 4XY 0.13254 0.15253 0.03828 -0.19007 -0.08833 104 4XZ -0.41829 -0.04024 -0.12429 0.01054 0.07170 105 4YZ -0.28461 -0.00800 0.11768 0.01903 0.11843 106 8 H 1S -0.02353 0.04447 0.01834 0.08187 0.11835 107 2S -0.03950 -0.11869 -0.03953 0.03756 -0.04918 108 9 H 1S 0.00426 -0.00832 -0.01599 -0.00246 -0.02577 109 2S 0.01678 -0.12199 -0.02499 -0.03646 -0.05200 110 10 H 1S 0.00633 -0.00136 -0.00091 -0.06285 -0.03064 111 2S 0.05122 0.04749 -0.01611 -0.02100 -0.00671 112 11 H 1S 0.00118 -0.02363 0.01177 -0.06943 -0.00899 113 2S 0.03778 0.09109 0.01489 -0.08320 -0.00682 114 12 H 1S 0.03367 0.05160 -0.06792 0.09550 -0.03271 115 2S -0.02092 0.10130 0.08630 -0.01265 -0.00825 116 13 C 1S 0.00311 -0.02035 -0.01080 -0.02714 -0.01069 117 2S 0.08866 -0.11743 -0.15912 -0.10755 -0.04881 118 2PX -0.04234 0.05169 -0.12934 0.03125 0.02999 119 2PY -0.01065 0.00388 -0.01090 0.05057 0.00205 120 2PZ 0.00387 -0.08449 0.03569 0.01393 0.07918 121 3S -0.17786 0.60132 0.61110 0.77601 0.27445 122 3PX 0.05358 -0.11046 -0.30092 -0.16421 -0.03845 123 3PY 0.03825 0.09475 -0.11901 -0.09708 -0.13798 124 3PZ 0.02151 0.29378 0.00633 0.14167 -0.16263 125 4XX -0.00346 -0.13220 0.03342 -0.10096 0.00539 126 4YY -0.03417 -0.30199 -0.07789 -0.32090 0.13049 127 4ZZ 0.02749 0.42776 0.02357 0.42577 -0.11146 128 4XY -0.10647 0.24120 0.12267 0.10581 0.11683 129 4XZ 0.04139 0.19427 -0.13310 0.12965 0.04123 130 4YZ 0.07954 -0.05915 -0.09617 0.05453 -0.13844 131 14 C 1S -0.00181 0.00565 -0.00069 0.00664 0.00186 132 2S -0.02548 0.08965 0.00960 0.11165 0.03395 133 2PX 0.00273 0.00716 -0.02122 -0.00208 0.00019 134 2PY 0.01408 0.00192 -0.01141 0.07982 0.00832 135 2PZ -0.00916 -0.05473 0.05489 -0.02031 0.05336 136 3S 0.05883 -0.28350 0.01987 -0.30140 -0.07948 137 3PX -0.03391 0.21056 -0.16843 0.17112 -0.00890 138 3PY 0.04964 -0.16767 -0.04724 0.17643 0.02301 139 3PZ -0.02670 -0.30682 0.20662 -0.09094 0.28843 140 4XX 0.02390 -0.09514 0.10755 -0.23722 -0.18018 141 4YY -0.03825 0.41833 -0.33542 -0.03662 -0.25734 142 4ZZ 0.01461 -0.32735 0.21586 0.27207 0.43041 143 4XY 0.03385 0.17076 -0.02375 0.54341 0.02779 144 4XZ 0.01675 0.02634 0.21383 0.11274 0.15577 145 4YZ -0.10282 -0.13826 0.33825 -0.30444 0.26441 146 15 H 1S -0.06561 -0.16501 0.31691 -0.33757 0.20079 147 2S -0.01051 0.02780 0.01164 0.07179 0.02136 148 16 H 1S 0.01035 0.30926 -0.28640 -0.06390 -0.37756 149 2S -0.00031 0.07450 0.04448 0.06003 0.02374 150 17 H 1S 0.05643 -0.12720 0.10002 0.37581 0.12895 151 2S -0.00053 -0.05118 -0.00124 -0.06843 0.00060 152 18 H 1S -0.01516 -0.33686 -0.05529 -0.28117 -0.01066 153 2S 0.07537 0.13386 -0.08383 0.02060 -0.08426 154 19 H 1S -0.01420 0.10641 -0.09513 -0.13375 -0.34313 155 2S 0.00596 0.08285 -0.11075 0.02346 -0.03747 156 20 H 1S -0.05753 -0.05526 0.10421 0.25664 0.30615 157 2S -0.04307 -0.10521 -0.10683 0.08832 -0.05660 131 132 133 134 135 V V V V V Eigenvalues -- 2.31042 2.31718 2.34117 2.37450 2.42654 1 1 C 1S -0.02030 0.00679 0.05398 -0.04191 -0.00092 2 2S -0.09746 0.03959 0.40424 -0.25414 -0.02425 3 2PX 0.02270 0.00234 0.08002 0.05799 0.06238 4 2PY 0.03747 -0.00670 -0.03950 0.05338 0.00003 5 2PZ -0.02465 0.01881 0.05566 -0.05709 -0.01283 6 3S 0.91408 -0.32915 -2.99188 1.80191 0.11931 7 3PX -0.23667 0.11441 1.49357 -0.29380 -0.21598 8 3PY 0.08703 -0.08469 -0.36464 0.37555 -0.16769 9 3PZ -0.10851 -0.03606 0.48591 -0.37281 -0.28152 10 4XX 0.10435 -0.05136 -0.48612 0.23712 0.05026 11 4YY -0.08020 0.05672 0.10188 -0.32855 0.57381 12 4ZZ -0.02245 -0.00647 0.36374 0.08040 -0.62617 13 4XY 0.00506 -0.02526 0.38476 0.27047 0.01403 14 4XZ 0.04150 -0.05069 -0.06009 0.24445 -0.00339 15 4YZ 0.06351 0.00566 0.15500 -0.24248 -0.20335 16 2 C 1S 0.00397 -0.00165 -0.01608 0.00575 -0.01239 17 2S -0.04068 0.00160 0.08180 -0.13089 -0.17641 18 2PX -0.04524 0.02789 0.20433 -0.05268 -0.14500 19 2PY -0.00982 -0.00450 0.02425 0.04431 -0.08606 20 2PZ -0.00485 -0.08591 0.05071 -0.02381 -0.03678 21 3S 0.03061 0.02101 -0.40161 0.11708 1.19056 22 3PX -0.54317 0.24705 3.27328 -0.85960 -0.46625 23 3PY 0.39284 -0.16221 -0.03699 1.22846 0.07118 24 3PZ -0.08794 0.04071 0.51431 -0.30119 0.00875 25 4XX 0.00799 -0.00338 0.17588 -0.20507 0.05040 26 4YY 0.11442 -0.01796 -0.14089 0.08297 0.05966 27 4ZZ -0.09969 0.02008 -0.08642 0.16189 -0.00660 28 4XY 0.12271 -0.01341 -0.10264 -0.06458 0.03352 29 4XZ -0.13104 0.06377 -0.01487 0.54305 0.03418 30 4YZ -0.60554 0.01205 -0.07710 -0.08878 0.09355 31 3 C 1S 0.00392 -0.00076 -0.03851 -0.00059 0.02559 32 2S 0.00979 0.01321 -0.25844 -0.05798 0.18706 33 2PX 0.03765 0.00060 0.03484 0.07325 0.02219 34 2PY -0.00293 0.01216 0.04844 -0.01637 -0.02357 35 2PZ -0.08309 -0.05239 0.00408 0.03340 0.01301 36 3S -0.23950 0.08793 2.56536 -0.11259 -1.00886 37 3PX 0.17987 -0.09439 0.10045 0.68414 -0.29989 38 3PY -0.16498 0.06720 1.40599 -0.20188 -0.57161 39 3PZ -0.03527 -0.13428 0.10432 0.37087 -0.09986 40 4XX 0.08938 -0.18865 -0.13590 -0.00196 -0.07744 41 4YY -0.04823 0.02677 0.49815 -0.08898 -0.17518 42 4ZZ -0.05343 0.16849 -0.32576 0.06277 0.22764 43 4XY 0.06791 -0.05756 0.02848 0.02938 -0.10103 44 4XZ -0.20845 0.57920 -0.00075 0.07126 -0.05607 45 4YZ -0.22816 -0.02213 0.03507 0.40472 -0.04060 46 4 C 1S -0.00314 0.00169 -0.00649 -0.01172 -0.00175 47 2S -0.02503 0.00540 0.07268 -0.00588 -0.07606 48 2PX 0.00753 -0.00710 0.03137 0.01240 0.05097 49 2PY 0.01324 -0.01493 0.01415 0.05990 -0.10315 50 2PZ -0.07736 0.05674 -0.00580 0.00825 0.01472 51 3S 0.28099 -0.13998 -0.81982 0.75052 0.14424 52 3PX 0.15027 -0.09249 -0.44352 0.38974 0.14011 53 3PY 0.03513 -0.00582 -0.22363 0.00958 0.19569 54 3PZ -0.04723 0.11545 -0.07787 -0.14303 0.05015 55 4XX -0.00242 -0.18311 -0.15113 0.14041 0.08499 56 4YY 0.02978 0.03584 0.18045 0.01561 -0.06428 57 4ZZ -0.02932 0.14655 -0.04648 -0.15157 -0.02517 58 4XY 0.03055 0.00799 -0.10185 -0.06091 0.03634 59 4XZ 0.17809 0.52012 -0.01350 -0.08731 -0.01251 60 4YZ -0.34993 -0.21501 -0.00471 -0.21686 0.06524 61 5 C 1S 0.00070 -0.00063 -0.00295 0.00307 -0.01450 62 2S 0.01824 -0.01079 -0.10609 0.04238 -0.03922 63 2PX 0.01066 -0.02238 -0.04130 0.02814 0.01043 64 2PY 0.02032 -0.01977 0.07463 0.09475 -0.01359 65 2PZ 0.01019 0.08426 -0.00759 0.04695 0.00319 66 3S -0.09232 0.02870 0.44879 -0.20708 0.09212 67 3PX -0.08272 0.03631 0.41068 -0.20575 0.07507 68 3PY 0.01907 -0.00981 -0.09054 0.02372 0.02123 69 3PZ -0.01289 -0.00474 0.03928 0.16933 0.00492 70 4XX 0.06617 -0.03757 -0.11767 0.01482 0.00152 71 4YY 0.06269 0.01597 0.05318 -0.08762 0.11818 72 4ZZ -0.11862 0.01452 -0.00708 0.09286 -0.12979 73 4XY 0.10864 -0.00954 0.13771 0.02931 -0.03083 74 4XZ -0.10618 0.05519 -0.06031 0.27853 0.04336 75 4YZ -0.62961 0.00734 -0.03938 -0.00468 0.12958 76 6 C 1S 0.00387 -0.00209 0.00549 0.01277 0.00698 77 2S 0.00545 -0.00065 0.03720 -0.00319 -0.00520 78 2PX -0.01934 -0.00192 0.01975 -0.03033 0.06849 79 2PY -0.00745 -0.00606 0.04880 0.02778 0.03049 80 2PZ 0.08097 0.05396 0.01158 -0.02154 0.00704 81 3S 0.10761 -0.01995 -1.17092 -0.03673 0.05320 82 3PX 0.02062 -0.03034 -0.54223 -0.05155 0.10306 83 3PY -0.05959 0.00004 0.33541 -0.08790 -0.08883 84 3PZ 0.09627 0.12668 -0.03688 -0.18867 0.02107 85 4XX 0.03668 -0.16323 -0.17336 -0.12044 -0.02880 86 4YY 0.02075 0.00595 0.12880 -0.03174 -0.06659 87 4ZZ -0.04741 0.15541 0.02026 0.15855 0.11955 88 4XY 0.03096 -0.02035 0.13380 -0.13526 -0.00828 89 4XZ -0.20480 0.59025 -0.08200 -0.00110 0.06633 90 4YZ -0.25866 -0.02749 -0.02555 0.24620 0.01098 91 7 C 1S 0.00656 -0.00341 -0.02026 0.01746 0.00640 92 2S 0.05124 -0.02924 -0.07600 0.13326 0.08610 93 2PX -0.04187 0.02080 -0.08918 -0.09224 -0.02728 94 2PY 0.01676 -0.00461 -0.02574 0.05956 0.02846 95 2PZ 0.07634 -0.05784 -0.00203 0.02246 -0.01815 96 3S -0.52808 0.22160 1.61046 -1.23115 -0.65083 97 3PX 0.06806 0.01838 -0.99364 -0.21230 0.19322 98 3PY 0.25494 -0.10726 -0.60753 0.74070 0.31063 99 3PZ 0.06949 -0.13916 -0.21755 0.18683 0.00840 100 4XX -0.04272 -0.17337 0.02900 0.11537 -0.03050 101 4YY -0.00938 0.06729 0.17229 -0.14948 -0.01232 102 4ZZ 0.05307 0.10615 -0.13738 0.04931 0.02592 103 4XY 0.00540 0.02048 0.23783 -0.04128 0.06247 104 4XZ 0.17771 0.54248 0.05421 -0.10100 0.03433 105 4YZ -0.34340 -0.20601 0.05904 -0.37871 0.05055 106 8 H 1S 0.02903 -0.02632 -0.14918 0.11515 -0.06060 107 2S -0.05582 0.02452 0.38054 -0.11181 -0.02877 108 9 H 1S 0.00413 0.00343 -0.02245 -0.00766 0.06059 109 2S 0.00606 0.00105 -0.06834 0.00528 0.02467 110 10 H 1S -0.02631 0.01380 0.13228 -0.05503 -0.01463 111 2S -0.01078 0.00387 0.04094 -0.02365 0.03212 112 11 H 1S -0.00135 -0.00051 0.02040 0.02078 -0.00275 113 2S 0.01876 -0.00556 -0.07892 0.02684 0.07593 114 12 H 1S 0.03602 -0.00986 -0.26857 -0.00487 0.10163 115 2S -0.07663 0.03196 0.43783 -0.12887 -0.15156 116 13 C 1S 0.00847 -0.00148 0.01064 0.02781 0.01802 117 2S 0.12133 -0.01432 -0.04016 0.07012 0.03201 118 2PX -0.04723 0.00299 -0.00492 0.15789 -0.09163 119 2PY -0.00250 -0.00754 0.04362 0.03501 -0.00852 120 2PZ 0.02321 -0.00629 0.01431 -0.00478 -0.02303 121 3S -0.44912 0.09627 0.30249 -0.78521 -0.40923 122 3PX 0.14310 0.00528 -0.16794 0.40159 0.00050 123 3PY 0.10704 0.01906 -0.21385 0.16255 0.07557 124 3PZ -0.18129 0.06333 0.13256 -0.29869 0.08609 125 4XX -0.04869 0.01027 0.00615 0.10239 -0.18748 126 4YY 0.06381 -0.04209 0.21594 0.25630 0.32540 127 4ZZ -0.03101 0.03456 -0.19838 -0.27514 -0.12616 128 4XY -0.01726 0.00184 0.14493 -0.07626 0.39856 129 4XZ 0.10630 -0.03277 -0.17541 0.11667 0.18050 130 4YZ 0.07187 -0.00414 0.11952 0.18228 0.07898 131 14 C 1S -0.00495 0.00179 0.00523 0.00014 -0.01132 132 2S -0.03533 0.00925 0.10060 -0.03956 -0.07980 133 2PX -0.01145 0.00314 -0.03473 0.03995 -0.03221 134 2PY 0.01149 -0.00317 0.01159 0.02171 0.03777 135 2PZ 0.01541 -0.00481 -0.00083 0.01245 0.02074 136 3S 0.12906 -0.05932 -0.14590 0.03024 0.27835 137 3PX -0.10370 0.04577 0.11252 0.04651 -0.20687 138 3PY -0.02954 -0.01178 0.40084 0.02838 -0.04970 139 3PZ 0.15016 -0.05768 -0.27776 0.11089 0.01259 140 4XX -0.01590 0.00943 0.05642 -0.15062 0.03569 141 4YY -0.17999 0.06862 -0.05955 -0.00163 -0.35043 142 4ZZ 0.19111 -0.07442 -0.00090 0.14396 0.31458 143 4XY 0.07127 -0.01864 0.43190 0.10168 0.52880 144 4XZ 0.12828 -0.03509 -0.18631 -0.12450 0.21115 145 4YZ 0.10470 -0.03147 -0.38571 -0.07721 0.05493 146 15 H 1S 0.08595 -0.02566 -0.41025 -0.11442 -0.05183 147 2S 0.00612 -0.00315 -0.03956 0.02026 0.04751 148 16 H 1S -0.19026 0.07176 0.16375 -0.06380 -0.27942 149 2S 0.00876 -0.00217 -0.00122 -0.04464 0.13849 150 17 H 1S 0.09581 -0.03707 0.32798 0.05802 0.35304 151 2S -0.02559 0.00020 -0.00292 -0.01100 -0.17982 152 18 H 1S 0.00564 0.00660 0.22096 0.18716 0.10479 153 2S 0.00943 -0.01178 -0.09518 -0.06405 0.04325 154 19 H 1S -0.06598 0.03922 -0.16930 -0.15628 0.43811 155 2S -0.01619 0.05147 0.04560 0.05203 -0.07804 156 20 H 1S -0.00842 -0.03489 0.14763 0.19284 -0.37826 157 2S -0.02469 -0.00200 -0.05127 -0.08043 0.16569 136 137 138 139 140 V V V V V Eigenvalues -- 2.48044 2.57158 2.59153 2.64706 2.68247 1 1 C 1S -0.04518 -0.04646 -0.03093 0.03390 0.04536 2 2S -0.46581 -0.03344 -0.04638 -0.08060 -0.08908 3 2PX 0.02759 -0.03486 0.01203 -0.10934 -0.10313 4 2PY -0.00264 0.06805 0.06268 -0.09427 -0.11658 5 2PZ -0.00706 -0.09346 -0.04897 0.12524 0.14820 6 3S 2.63498 1.06644 0.86478 -0.48118 -0.74925 7 3PX -0.27064 0.17361 -0.29107 -0.47056 -0.33860 8 3PY 0.47506 0.42845 -0.31709 -0.27048 -0.24793 9 3PZ -0.30098 -0.20390 -0.36027 0.25950 0.35159 10 4XX 0.47944 0.21138 0.17621 0.04680 -0.08854 11 4YY -0.36024 -0.16136 -0.01099 0.12847 0.09318 12 4ZZ -0.13020 -0.14354 -0.21538 -0.10665 0.10707 13 4XY 0.11367 0.03779 0.06654 -0.18406 -0.17877 14 4XZ -0.27216 -0.14820 -0.09177 0.36912 0.46654 15 4YZ -0.04014 -0.18556 -0.12094 0.18534 0.30476 16 2 C 1S -0.00781 0.07711 0.04268 0.01691 0.00677 17 2S -0.17850 0.13654 0.02515 -0.05661 -0.01802 18 2PX -0.08019 0.04281 -0.00100 -0.00530 0.01722 19 2PY 0.08681 -0.05735 0.00164 -0.01917 -0.05183 20 2PZ -0.01225 -0.00628 0.00264 -0.00330 0.00584 21 3S 1.06866 -2.21217 -1.04142 0.25168 0.17391 22 3PX -2.04652 0.33572 0.23565 -0.45628 -0.22966 23 3PY 0.91404 -0.81299 1.62698 0.02826 -0.17978 24 3PZ -0.12835 0.09708 0.19556 -0.11744 -0.10641 25 4XX 0.14702 -0.14373 -0.18652 0.00825 0.12451 26 4YY 0.10317 -0.30599 -0.02896 -0.24141 -0.18681 27 4ZZ -0.21077 0.50679 0.28201 0.23745 0.02948 28 4XY -0.10031 0.13041 -0.22829 -0.03837 0.20525 29 4XZ -0.25583 -0.18571 -0.16709 0.16510 0.13523 30 4YZ 0.08087 -0.05284 -0.08558 0.31883 -0.38487 31 3 C 1S 0.01577 0.01265 -0.07138 0.00228 0.00151 32 2S 0.08179 0.11152 -0.27492 0.07120 0.00452 33 2PX 0.03338 0.25773 0.04867 0.10069 0.04102 34 2PY -0.02339 0.07408 0.10212 0.00456 -0.04776 35 2PZ -0.01725 0.04433 0.00935 0.02672 0.01677 36 3S -1.35320 -1.07564 2.80725 -0.82694 -0.57482 37 3PX 0.64407 0.63888 0.02409 0.13562 0.00986 38 3PY -0.83610 -0.27844 1.09241 -0.35743 -0.15464 39 3PZ -0.03341 0.07048 0.09153 -0.01058 -0.00218 40 4XX 0.05273 -0.09296 0.23532 -0.03897 0.20016 41 4YY -0.16589 0.00338 0.30445 -0.14637 -0.18026 42 4ZZ 0.08021 0.07215 -0.53813 0.13010 -0.09205 43 4XY 0.10102 0.36200 -0.16448 0.05539 0.10429 44 4XZ -0.01196 -0.04836 0.10536 0.38706 -0.28504 45 4YZ -0.16737 0.01183 0.01574 0.15587 -0.03921 46 4 C 1S -0.00140 -0.07979 0.02772 -0.01865 -0.00178 47 2S 0.01187 -0.25451 0.10284 -0.12776 -0.09721 48 2PX 0.03130 -0.03306 -0.18942 -0.05590 -0.04453 49 2PY 0.02876 0.23300 0.09666 0.06614 -0.01326 50 2PZ 0.01725 0.01765 -0.01995 -0.01138 -0.01666 51 3S 0.82043 3.24462 -0.80356 1.27428 0.42653 52 3PX 0.48117 0.84381 -0.51001 0.48819 0.38147 53 3PY -0.01895 1.30251 -0.09027 0.53889 0.08665 54 3PZ 0.13230 0.24366 -0.09635 0.12410 0.06428 55 4XX 0.11846 0.19728 -0.30331 0.02328 0.23011 56 4YY -0.14589 0.42670 0.05260 0.04020 -0.18852 57 4ZZ 0.04447 -0.60008 0.19925 -0.06099 -0.05200 58 4XY -0.11352 0.02637 -0.24430 0.04650 0.07134 59 4XZ 0.04814 0.12726 -0.15579 0.34525 -0.21200 60 4YZ 0.03043 0.14162 -0.01654 -0.27823 0.20438 61 5 C 1S -0.00987 0.08121 0.04947 0.03762 0.01896 62 2S 0.02384 0.25264 0.16035 0.15908 0.09337 63 2PX 0.06353 -0.10230 -0.11363 -0.05667 -0.03690 64 2PY 0.06228 0.15778 -0.12946 -0.07483 -0.17159 65 2PZ 0.00965 -0.00513 -0.02846 -0.01358 -0.01774 66 3S 0.05154 -2.97973 -2.00529 -1.82775 -0.90380 67 3PX -0.12880 -1.39449 -1.12839 -1.04643 -0.64173 68 3PY 0.05892 0.68332 -0.42530 0.08979 -0.19495 69 3PZ -0.07076 -0.19571 -0.22580 -0.16145 -0.11070 70 4XX 0.23913 -0.17188 -0.27395 -0.03015 -0.04733 71 4YY -0.07933 -0.43176 -0.07440 -0.10188 -0.08416 72 4ZZ -0.12311 0.61793 0.34857 0.15964 0.16735 73 4XY 0.00263 0.17198 -0.34363 -0.05710 -0.30124 74 4XZ 0.01324 -0.14005 -0.14365 -0.13572 0.02339 75 4YZ 0.03346 0.00630 -0.03955 -0.46700 0.24726 76 6 C 1S 0.00960 -0.00586 -0.08135 -0.03739 -0.03420 77 2S -0.04440 -0.01337 -0.31355 -0.11874 -0.02951 78 2PX -0.00567 -0.27482 -0.01800 -0.04377 0.00925 79 2PY 0.03596 -0.09882 -0.16075 -0.10810 -0.12438 80 2PZ 0.00722 -0.05365 -0.01532 -0.01494 -0.00565 81 3S 0.36174 0.42920 3.50662 1.98739 1.56451 82 3PX 0.25284 -0.39328 0.42592 0.32023 0.25720 83 3PY -0.18149 -0.31113 -1.71094 -0.95710 -0.66645 84 3PZ 0.09393 -0.07303 -0.03943 -0.03764 -0.02784 85 4XX 0.00408 -0.09843 0.13409 0.31096 0.15942 86 4YY -0.08867 0.09452 0.50405 0.07478 -0.02401 87 4ZZ 0.08576 -0.01880 -0.57889 -0.36209 -0.10488 88 4XY -0.16692 0.25523 -0.12922 0.08864 0.03517 89 4XZ 0.01374 0.07479 0.19701 -0.30463 0.37799 90 4YZ -0.11199 0.06296 0.08119 -0.07179 0.13728 91 7 C 1S 0.03214 -0.06096 0.05233 0.00736 0.00882 92 2S 0.19085 -0.19415 0.32078 0.13034 0.12391 93 2PX -0.02332 0.06566 0.13065 0.14642 0.17072 94 2PY 0.09562 -0.16628 -0.07018 -0.12892 -0.16384 95 2PZ -0.01378 -0.00699 0.01533 0.02270 0.02384 96 3S -1.99984 2.12251 -2.94918 -1.09649 -0.77061 97 3PX 0.28571 -0.35356 0.86987 0.64686 0.56675 98 3PY 1.01413 -0.95110 0.84355 0.24836 0.05966 99 3PZ 0.01360 -0.17347 0.17676 0.17544 0.15473 100 4XX 0.05738 0.14831 -0.40864 -0.07336 -0.30550 101 4YY -0.35886 0.29535 0.03340 0.07556 0.21501 102 4ZZ 0.26621 -0.44304 0.35486 -0.04334 0.07790 103 4XY -0.23616 -0.06448 -0.26674 -0.11053 0.00324 104 4XZ 0.01711 0.16836 -0.12628 -0.35577 0.17102 105 4YZ 0.06865 0.06961 -0.07451 0.20870 -0.28987 106 8 H 1S 0.19553 -0.13388 0.23056 0.03119 0.00774 107 2S -0.27570 0.27899 -0.28662 -0.15204 -0.08422 108 9 H 1S 0.01504 0.02328 -0.28703 -0.01218 0.01752 109 2S 0.02583 0.00347 0.50596 0.22893 0.15338 110 10 H 1S -0.15495 0.14517 0.08268 -0.01425 -0.04899 111 2S 0.01935 -0.39524 -0.26325 -0.22718 -0.11228 112 11 H 1S 0.06789 -0.21662 0.18220 -0.02022 -0.01556 113 2S 0.02281 0.41474 -0.19096 0.16886 0.07607 114 12 H 1S 0.05376 0.09747 -0.25415 0.08371 0.11072 115 2S -0.28659 -0.09765 0.28584 -0.11824 -0.07721 116 13 C 1S 0.07229 0.04411 0.02040 -0.02757 -0.02141 117 2S 0.06191 0.07506 0.06869 0.00902 0.07918 118 2PX -0.03278 -0.01111 0.01953 -0.14026 -0.23897 119 2PY 0.05094 0.05316 0.03241 -0.08669 -0.11133 120 2PZ -0.07335 -0.05966 -0.04810 0.09913 0.11836 121 3S -2.05136 -1.34617 -0.51074 0.58384 0.30508 122 3PX -0.54765 -0.23338 0.22837 -0.42422 -0.64151 123 3PY 0.24205 0.13659 0.12563 -0.23958 -0.26982 124 3PZ -0.65892 -0.52220 0.00155 0.32263 0.25610 125 4XX -0.10727 -0.22011 -0.03571 0.00071 -0.20709 126 4YY 0.28932 0.18657 0.04481 0.01210 0.06622 127 4ZZ -0.10009 0.08019 0.01604 -0.07399 0.05772 128 4XY -0.09981 -0.16972 -0.02316 0.30755 0.25585 129 4XZ -0.35129 0.09877 0.16176 -0.41908 -0.50875 130 4YZ 0.33466 0.14588 0.11769 -0.19243 -0.25592 131 14 C 1S -0.04316 -0.02535 -0.00353 -0.00730 -0.02201 132 2S -0.16670 -0.05794 -0.06678 -0.02662 0.00688 133 2PX -0.15172 -0.10939 0.01625 -0.02760 -0.12087 134 2PY -0.00342 -0.01213 0.00537 0.00214 -0.00813 135 2PZ -0.03657 -0.02498 -0.00271 0.00055 -0.01853 136 3S 1.46791 0.80895 0.08958 0.18600 0.49150 137 3PX -0.74503 -0.40983 -0.06444 -0.13615 -0.30918 138 3PY -0.05766 -0.00858 -0.04025 -0.03840 -0.03190 139 3PZ -0.08607 0.01939 0.04619 -0.07162 -0.10441 140 4XX 0.51001 0.21347 -0.01600 0.14131 0.30028 141 4YY -0.15618 -0.15163 -0.05727 -0.02415 -0.11232 142 4ZZ -0.41134 -0.10198 0.08141 -0.11360 -0.21691 143 4XY 0.22256 0.00019 0.05320 0.12233 0.08763 144 4XZ -0.19947 0.10029 0.06261 -0.11342 -0.03861 145 4YZ -0.18705 0.00739 0.02439 -0.02104 -0.00385 146 15 H 1S -0.21606 0.01632 0.01510 -0.06065 -0.02486 147 2S 0.04377 -0.03249 -0.00165 0.07284 0.05426 148 16 H 1S 0.18055 -0.01602 -0.08249 0.04960 0.07275 149 2S -0.12397 -0.05634 0.02989 0.01526 -0.00786 150 17 H 1S 0.01827 -0.00176 0.03488 0.01507 0.00440 151 2S -0.01205 0.01665 -0.02907 -0.02677 -0.00968 152 18 H 1S 0.24489 -0.03208 -0.00232 0.11645 0.07495 153 2S -0.24279 -0.08644 0.12397 -0.02398 -0.02434 154 19 H 1S -0.04566 0.04884 0.14028 0.00696 -0.12851 155 2S -0.14643 -0.09597 0.03886 -0.00232 0.03301 156 20 H 1S 0.11631 0.05915 -0.07474 -0.07662 -0.03858 157 2S -0.08074 -0.04602 -0.17712 -0.00679 0.00921 141 142 143 144 145 V V V V V Eigenvalues -- 2.69311 2.73270 2.74630 2.76114 2.80659 1 1 C 1S 0.02416 -0.00044 0.01226 -0.01271 0.01815 2 2S 0.01060 -0.08710 0.21955 0.03088 -0.06302 3 2PX 0.00875 0.13927 -0.01340 0.04121 -0.02364 4 2PY -0.01471 -0.00997 0.03195 0.03990 -0.02748 5 2PZ 0.06990 -0.02132 -0.02213 -0.03798 0.05037 6 3S -0.56986 -0.72806 -0.98691 0.12936 -0.34672 7 3PX -0.27582 0.51218 0.54419 0.05670 -0.21289 8 3PY -0.46797 0.01311 0.00708 -0.43404 -0.09258 9 3PZ 0.18138 -0.01125 0.11783 -0.26243 0.03027 10 4XX 0.13158 -0.21442 -0.06980 0.05518 -0.22778 11 4YY 0.17449 0.14985 0.00859 -0.06364 0.20854 12 4ZZ -0.27114 0.07445 0.03390 -0.01854 0.09350 13 4XY -0.11698 0.14722 -0.05240 0.20004 -0.30786 14 4XZ -0.01527 -0.08995 -0.05747 -0.08137 0.16891 15 4YZ 0.25407 -0.08102 -0.03371 -0.08978 -0.01939 16 2 C 1S 0.00963 0.06493 0.03545 0.02632 0.00486 17 2S -0.16215 0.34343 -0.09219 -0.03724 0.09633 18 2PX 0.03839 0.11324 0.18389 0.17363 0.02324 19 2PY 0.11442 -0.08927 -0.20847 0.34032 0.12010 20 2PZ 0.01932 0.01005 0.01664 0.06259 0.01747 21 3S 0.42187 -4.32107 -2.23475 -1.58431 -0.37278 22 3PX 0.04928 2.96917 1.55221 1.18850 0.21322 23 3PY 0.46524 -0.85433 -1.04241 1.91308 0.31082 24 3PZ -0.08401 0.48597 0.18627 0.34951 0.08431 25 4XX 0.10314 0.27697 -0.07759 -0.15291 -0.21142 26 4YY -0.14003 -0.60360 -0.21107 0.00430 0.18684 27 4ZZ 0.07180 0.36351 0.18186 0.13015 0.02298 28 4XY -0.32144 -0.07910 0.02187 -0.28252 -0.57933 29 4XZ -0.23876 0.01428 -0.06622 -0.08525 0.04855 30 4YZ -0.16418 -0.05737 -0.01703 -0.03535 -0.12555 31 3 C 1S -0.00448 -0.06572 0.02022 -0.07317 -0.01642 32 2S 0.16768 -0.35421 -0.18910 -0.17413 0.10678 33 2PX 0.20430 0.11571 0.39481 0.01198 0.03593 34 2PY 0.14346 0.11863 -0.02511 0.12379 0.20915 35 2PZ 0.04097 0.02928 0.06417 0.00487 0.02803 36 3S -0.29696 4.49977 0.03683 3.40053 1.04266 37 3PX 0.24630 -1.00338 0.58224 0.71708 -0.28723 38 3PY -0.19586 2.39620 0.81911 1.79205 0.16767 39 3PZ 0.02376 0.00480 0.15920 0.27324 -0.03408 40 4XX 0.05982 0.35156 -0.64484 0.33178 0.02253 41 4YY 0.01075 -0.03566 0.51923 -0.02470 0.19915 42 4ZZ -0.07587 -0.32531 0.12682 -0.37629 -0.08875 43 4XY 0.26017 -0.10062 0.33914 0.61469 0.00473 44 4XZ -0.06390 0.16402 -0.12204 0.21566 0.01199 45 4YZ -0.02717 0.02558 0.08864 0.14204 0.05829 46 4 C 1S -0.02832 0.05115 -0.01685 0.04300 -0.01573 47 2S -0.02400 0.36297 0.16068 0.16296 0.17362 48 2PX -0.05362 -0.22571 0.38445 -0.10630 -0.09739 49 2PY 0.19261 0.07425 -0.18656 0.09653 0.30599 50 2PZ 0.00115 -0.03070 0.05140 -0.00797 0.00445 51 3S 1.35972 -4.40881 -0.31277 -1.51855 0.41580 52 3PX 0.24158 -1.48837 0.50906 -0.55666 -0.85908 53 3PY 0.64755 -1.71492 -0.92375 -1.19235 0.67556 54 3PZ 0.10706 -0.38073 0.01984 -0.19130 -0.10331 55 4XX 0.04671 -0.10475 0.65820 -0.00325 -0.38414 56 4YY 0.16924 -0.25221 -0.53952 -0.16061 0.55436 57 4ZZ -0.17675 0.26068 -0.10577 0.25538 -0.11602 58 4XY -0.15465 -0.37169 -0.22476 0.48009 -0.25565 59 4XZ -0.02671 -0.08252 0.14099 -0.00262 -0.09075 60 4YZ 0.08263 -0.12877 -0.07573 0.03579 0.00993 61 5 C 1S 0.02542 -0.03495 -0.03996 -0.01837 0.00172 62 2S 0.06120 -0.46268 0.04356 0.00589 -0.04733 63 2PX -0.01823 -0.02281 0.26488 0.05283 0.07234 64 2PY 0.14416 -0.05279 0.10580 -0.27647 0.45602 65 2PZ 0.00309 -0.00682 0.05207 -0.01117 0.04703 66 3S -1.18685 3.88552 2.40378 1.25677 0.13717 67 3PX -0.57786 2.05252 0.80273 0.44534 0.39791 68 3PY 0.57602 -0.67256 -0.11296 -0.05489 1.36485 69 3PZ -0.06535 0.29891 0.12497 0.07092 0.17434 70 4XX 0.22026 0.59593 0.13244 0.14029 0.31965 71 4YY -0.36776 -0.33922 0.20791 0.01165 -0.35323 72 4ZZ 0.16686 -0.17537 -0.22028 -0.09495 0.04065 73 4XY 0.14567 -0.39256 -0.01704 0.16817 0.69793 74 4XZ 0.03224 0.11980 0.06714 0.05551 0.11843 75 4YZ 0.07341 -0.10490 0.02838 0.02164 0.09470 76 6 C 1S -0.00490 0.04521 0.02211 -0.03603 0.02021 77 2S -0.12039 0.41432 0.17676 0.03206 -0.12028 78 2PX -0.09542 -0.28378 0.19800 0.40210 0.12409 79 2PY 0.03159 -0.05722 0.00850 0.04424 0.22331 80 2PZ -0.01420 -0.05204 0.03303 0.06930 0.03845 81 3S 0.56600 -4.16098 -1.27946 0.49511 -1.02220 82 3PX 0.31149 -0.92212 0.63208 0.65184 0.82035 83 3PY -0.42325 2.12843 1.30835 -0.22316 0.48794 84 3PZ 0.03654 -0.00361 0.20702 0.10389 0.15752 85 4XX 0.07874 0.07976 0.14502 0.65435 0.08610 86 4YY -0.13649 -0.37455 -0.17015 -0.49572 -0.26528 87 4ZZ 0.02074 0.23226 0.10105 -0.21340 0.10231 88 4XY -0.04941 0.30760 -0.63461 -0.04357 -0.46559 89 4XZ 0.10565 -0.03518 -0.04532 0.15850 -0.03463 90 4YZ -0.01027 -0.00473 -0.13539 -0.03646 -0.09572 91 7 C 1S -0.00518 -0.07352 -0.03299 0.05938 0.00774 92 2S -0.03149 -0.29798 -0.25391 -0.06038 -0.11184 93 2PX 0.03021 0.05912 0.19517 0.29462 0.06305 94 2PY 0.00902 -0.24758 -0.12225 -0.02230 0.17402 95 2PZ 0.00378 -0.00972 0.02568 0.05257 0.02430 96 3S -0.62397 4.85340 2.00660 -1.99916 -0.37481 97 3PX 0.18506 -1.82332 0.09149 0.12854 -0.08656 98 3PY 0.31664 -1.90623 -1.85084 0.38493 -0.12448 99 3PZ 0.05712 -0.44857 -0.12536 0.02829 0.00131 100 4XX 0.12174 0.29068 -0.50870 -0.40670 0.06058 101 4YY -0.15175 0.12178 0.63114 0.10717 -0.25507 102 4ZZ -0.04910 -0.38804 -0.18945 0.34470 0.05612 103 4XY -0.10975 -0.17551 -0.29431 0.57130 -0.08030 104 4XZ 0.11165 0.09910 -0.09030 -0.11940 -0.00352 105 4YZ -0.06370 0.03621 0.02811 0.09408 -0.08342 106 8 H 1S 0.02820 0.03868 0.10861 -0.14406 0.12303 107 2S -0.14308 0.58815 0.27936 0.08901 -0.01521 108 9 H 1S 0.07969 0.19218 -0.14610 0.20754 0.01786 109 2S 0.08743 -0.57895 -0.17870 0.02735 -0.05342 110 10 H 1S -0.09708 -0.31370 -0.09391 -0.04831 -0.02098 111 2S -0.11854 0.60206 0.21021 0.11204 0.03768 112 11 H 1S 0.01771 0.22455 0.07627 -0.23442 0.02116 113 2S 0.15075 -0.59027 -0.09585 -0.21725 -0.02782 114 12 H 1S 0.05134 0.04396 -0.06495 0.14142 -0.09143 115 2S -0.07088 0.55712 0.25364 0.24111 0.09028 116 13 C 1S -0.08254 0.01905 -0.00438 0.02179 0.01133 117 2S 0.02783 -0.01737 0.03850 0.03452 -0.01049 118 2PX 0.16299 0.01331 -0.00767 0.01353 -0.15106 119 2PY -0.02254 0.01848 0.01995 0.04413 -0.06275 120 2PZ 0.10036 -0.04635 0.01174 -0.05100 0.02121 121 3S 1.97085 -0.39007 0.10584 -0.33554 -0.27516 122 3PX 0.76797 -0.06990 0.06413 0.28232 -0.44624 123 3PY -0.06308 0.03941 -0.05186 0.07458 -0.10646 124 3PZ 0.52958 -0.11494 -0.04827 0.05179 0.12545 125 4XX 0.76296 -0.16333 -0.00810 -0.03684 -0.39435 126 4YY -0.44251 0.10112 -0.02853 0.04896 0.13276 127 4ZZ -0.52595 0.10520 0.00121 0.03382 0.32237 128 4XY 0.28008 -0.09354 -0.01615 -0.06340 0.04970 129 4XZ -0.01339 0.12912 0.05372 0.13919 -0.14008 130 4YZ 0.02426 -0.00435 0.01471 0.10199 -0.19017 131 14 C 1S 0.06294 -0.00775 0.00459 -0.00050 -0.02706 132 2S -0.03501 0.02613 0.03901 -0.00990 0.02767 133 2PX 0.33524 -0.05727 0.00514 0.00879 -0.14769 134 2PY 0.02573 -0.00801 -0.01028 -0.00316 -0.00448 135 2PZ 0.07622 -0.01075 0.00071 -0.00262 -0.03990 136 3S -1.52091 0.18674 -0.14836 -0.08409 0.54072 137 3PX 0.81710 -0.08189 0.07556 0.01921 -0.32172 138 3PY 0.03594 0.02864 0.08787 0.02495 -0.06195 139 3PZ 0.10803 -0.03700 0.00090 0.01291 -0.08312 140 4XX -0.56753 0.05807 -0.03431 -0.01242 0.25299 141 4YY 0.38702 -0.06884 0.00573 -0.03933 -0.16235 142 4ZZ 0.31561 -0.00995 0.02733 0.05041 -0.14093 143 4XY 0.04784 -0.03497 -0.01890 0.00888 0.01250 144 4XZ -0.34591 0.10878 0.01756 0.05113 0.15862 145 4YZ -0.05887 0.02344 -0.00727 0.00481 0.04690 146 15 H 1S -0.10733 0.03795 0.00119 0.01404 0.05527 147 2S 0.06981 -0.05114 -0.03061 -0.02578 0.00719 148 16 H 1S -0.01077 -0.01487 0.00289 -0.03827 -0.00084 149 2S 0.05454 0.00360 -0.00860 0.02565 0.01799 150 17 H 1S 0.00324 0.01002 0.01775 0.03056 0.00119 151 2S -0.01429 0.00211 0.03180 -0.00065 -0.02268 152 18 H 1S 0.18765 -0.07687 -0.01611 0.00758 -0.10440 153 2S 0.01163 0.02884 -0.02330 0.11966 0.09382 154 19 H 1S 0.09890 -0.00102 0.03907 0.06422 -0.00277 155 2S 0.00545 -0.01009 -0.01935 0.07108 0.04203 156 20 H 1S -0.13598 -0.04927 0.05590 0.00351 -0.08405 157 2S -0.09006 0.02885 -0.05560 -0.22453 0.06930 146 147 148 149 150 V V V V V Eigenvalues -- 2.90814 3.06923 3.41554 4.09407 4.10749 1 1 C 1S 0.05648 0.00550 0.03307 -0.09167 -0.15880 2 2S 0.12868 -0.07048 -0.23762 0.54208 0.81913 3 2PX 0.27490 -0.03409 0.14995 0.00489 0.05585 4 2PY -0.01116 -0.02294 -0.03358 0.01211 0.02637 5 2PZ -0.02447 0.02062 0.02058 -0.01935 -0.04354 6 3S -0.67699 0.01650 -0.88076 0.13795 0.76882 7 3PX 0.72842 -0.16726 0.32639 0.03704 -0.25090 8 3PY -0.02723 -0.11710 -0.06977 -0.02461 -0.02931 9 3PZ -0.01940 -0.00822 0.05819 0.00407 0.01264 10 4XX -0.57329 -0.08333 -0.08822 -0.28526 -0.51020 11 4YY 0.30410 0.10727 0.20753 -0.35306 -0.56305 12 4ZZ 0.38169 0.03647 0.13739 -0.33601 -0.54369 13 4XY 0.29593 -0.22640 0.06366 0.00793 0.05002 14 4XZ -0.28112 0.04616 -0.04327 -0.01687 -0.06029 15 4YZ -0.08166 -0.02358 0.00710 -0.03497 -0.06936 16 2 C 1S -0.13332 0.00462 0.05858 -0.11978 -0.06736 17 2S -0.54152 0.05935 0.07999 0.84455 0.41473 18 2PX 0.13028 0.08452 0.11057 -0.06846 0.06009 19 2PY -0.02959 0.40115 -0.02069 -0.01600 -0.07824 20 2PZ 0.02494 0.04498 0.01729 -0.00765 0.00740 21 3S 7.20326 -0.33253 -3.64616 -0.03794 0.01545 22 3PX -2.29347 0.36091 2.49205 0.34686 -0.23035 23 3PY 0.45562 1.91101 -0.55694 0.08071 0.39135 24 3PZ -0.35302 0.21219 0.38954 0.05390 -0.01460 25 4XX 0.73271 -0.33739 0.43550 -0.43553 -0.19758 26 4YY -0.24722 0.32577 -0.65399 -0.43178 -0.31578 27 4ZZ -0.59771 -0.00230 0.24374 -0.46443 -0.26831 28 4XY -0.25682 -0.79638 -0.27695 0.00853 -0.00837 29 4XZ 0.25183 -0.08949 0.02065 0.01143 0.02533 30 4YZ 0.00641 -0.11926 -0.12207 0.00796 0.00703 31 3 C 1S 0.07819 -0.00682 -0.07490 -0.18141 -0.07050 32 2S 0.50266 0.00536 -0.04865 1.20487 0.38477 33 2PX 0.12638 0.37757 -0.03634 -0.04327 0.05538 34 2PY -0.05555 0.16814 0.09422 0.03439 -0.01139 35 2PZ 0.01535 0.07856 0.00156 -0.00523 0.01087 36 3S -6.11709 0.40310 3.99875 0.69745 0.44361 37 3PX 1.07280 1.65255 -0.69994 -0.01846 0.03656 38 3PY -3.11243 0.66908 2.13642 0.18002 0.13901 39 3PZ -0.03882 0.32672 0.03778 0.01724 0.01585 40 4XX -0.12405 -0.32207 0.53854 -0.61238 -0.25268 41 4YY -0.30551 0.38587 -0.38096 -0.71046 -0.25258 42 4ZZ 0.36713 -0.02806 -0.28148 -0.69314 -0.26760 43 4XY 0.11860 0.57909 0.37131 0.00594 0.03517 44 4XZ -0.07455 -0.01525 0.19467 0.01878 0.00929 45 4YZ -0.03438 0.14106 0.05779 0.00270 0.01148 46 4 C 1S -0.08395 0.00123 0.07396 -0.22562 0.03857 47 2S -0.49112 0.04314 0.04385 1.54833 -0.23188 48 2PX 0.04797 0.27218 -0.07299 0.01257 0.05453 49 2PY 0.09129 -0.21883 -0.07470 0.04103 -0.07151 50 2PZ 0.01648 0.02975 -0.01762 0.00552 0.00429 51 3S 5.99357 -0.08184 -3.98265 0.19481 -0.24892 52 3PX 2.42200 1.09746 -1.43426 -0.12055 -0.07278 53 3PY 2.41862 -1.17648 -1.63814 -0.16643 -0.09513 54 3PZ 0.58334 0.09802 -0.36334 -0.03559 -0.02002 55 4XX 0.31836 0.50759 -0.15849 -0.86336 0.17893 56 4YY 0.08759 -0.52082 -0.03100 -0.85078 0.06556 57 4ZZ -0.37062 0.01666 0.30775 -0.87855 0.14853 58 4XY -0.07559 0.05860 0.65622 -0.03451 0.03198 59 4XZ 0.13894 0.09983 -0.04234 0.00001 0.00918 60 4YZ 0.02202 -0.03554 0.08230 -0.00383 -0.00243 61 5 C 1S 0.07118 -0.00066 -0.07210 -0.22422 0.15309 62 2S 0.41525 -0.01326 -0.07198 1.46896 -1.00423 63 2PX -0.10073 -0.06620 0.09786 0.04041 -0.01511 64 2PY 0.01016 -0.33245 -0.02220 -0.03211 -0.05750 65 2PZ -0.01582 -0.03507 0.01469 0.00428 -0.00690 66 3S -5.68791 0.14656 3.97491 0.68928 -0.22567 67 3PX -3.21866 -0.22464 2.15038 0.10554 0.10482 68 3PY 0.65386 -1.52317 -0.47707 -0.04579 -0.07761 69 3PZ -0.49616 -0.14666 0.32955 0.01572 0.01481 70 4XX -0.01846 -0.18687 -0.41969 -0.86588 0.57053 71 4YY -0.31999 0.20942 0.62095 -0.77133 0.59499 72 4ZZ 0.30170 -0.01626 -0.29415 -0.86560 0.59580 73 4XY -0.09929 -0.52414 0.26153 0.00325 -0.04956 74 4XZ -0.07406 -0.07292 -0.00409 0.00043 -0.00834 75 4YZ -0.07733 -0.06951 0.12184 0.00817 -0.00843 76 6 C 1S -0.08309 0.00262 0.07437 -0.16912 0.19090 77 2S -0.47005 -0.01183 0.04352 1.20332 -1.15342 78 2PX -0.01725 -0.34312 -0.04196 -0.03151 0.01076 79 2PY -0.11942 -0.08115 0.09801 -0.05278 0.01133 80 2PZ -0.01218 -0.06280 0.00050 -0.00917 0.00427 81 3S 5.94896 -0.25128 -3.99644 0.01030 -0.81284 82 3PX 1.13881 -1.54150 -0.67451 -0.11934 -0.23833 83 3PY -3.21200 -0.42485 2.10901 0.17574 0.07803 84 3PZ -0.03713 -0.29762 0.03656 -0.00743 -0.04160 85 4XX 0.29543 -0.31687 -0.54119 -0.65316 0.65861 86 4YY 0.10670 0.29020 0.38179 -0.65262 0.70581 87 4ZZ -0.36827 0.01396 0.27876 -0.65614 0.73741 88 4XY -0.02307 0.49676 -0.37228 0.04704 -0.02050 89 4XZ 0.12610 -0.02847 -0.19344 0.00447 -0.01823 90 4YZ 0.03514 0.11023 -0.05645 0.00808 -0.00579 91 7 C 1S 0.07517 0.00261 -0.07570 -0.10746 0.10258 92 2S 0.48235 -0.01406 -0.04880 0.75807 -0.65866 93 2PX 0.12174 -0.27839 -0.07363 -0.04866 0.08355 94 2PY -0.00816 0.30686 -0.06639 -0.03251 -0.06502 95 2PZ 0.02122 -0.02706 -0.01848 -0.00964 0.00549 96 3S -5.89347 -0.06516 4.01566 0.36960 -0.23575 97 3PX 2.14084 -1.36819 -1.48578 -0.19517 -0.33748 98 3PY 2.35961 1.19142 -1.66214 0.01937 0.26697 99 3PZ 0.51904 -0.13510 -0.36554 -0.03081 -0.02717 100 4XX -0.18399 0.58722 0.15823 -0.35972 0.36209 101 4YY -0.19961 -0.65948 0.02797 -0.41048 0.41574 102 4ZZ 0.33940 0.03301 -0.31546 -0.40776 0.40486 103 4XY -0.14391 0.09373 -0.65875 -0.04792 -0.02523 104 4XZ -0.12446 0.11800 0.04564 0.00638 -0.00943 105 4YZ -0.06008 -0.04872 -0.08220 -0.00864 -0.00162 106 8 H 1S 0.07245 0.01375 0.26126 0.07642 -0.00378 107 2S -0.72237 -0.00008 0.38345 -0.07789 0.02803 108 9 H 1S 0.03819 0.00976 -0.25954 0.07784 -0.07666 109 2S 0.76450 -0.01522 -0.36417 -0.18647 0.10850 110 10 H 1S -0.11288 0.00013 0.25920 0.10910 -0.05617 111 2S -0.69768 0.01997 0.37635 -0.15221 0.14370 112 11 H 1S 0.04030 -0.00760 -0.25902 0.09689 -0.02483 113 2S 0.78102 -0.03735 -0.36287 -0.23075 -0.00331 114 12 H 1S 0.07652 -0.01320 0.25950 0.09441 0.03089 115 2S -0.72963 0.03231 0.37829 -0.09084 -0.00700 116 13 C 1S 0.01197 0.00904 0.00491 -0.11714 -0.28469 117 2S -0.08132 -0.09679 -0.04115 0.73326 1.78197 118 2PX 0.04175 -0.02207 0.01677 -0.00478 0.02541 119 2PY 0.04511 -0.03262 -0.00039 -0.00505 0.00545 120 2PZ -0.07639 0.00978 -0.01237 0.00615 -0.00191 121 3S 0.09890 -0.02462 0.04358 0.33949 0.76380 122 3PX 0.29133 -0.16586 -0.01337 0.10800 0.00360 123 3PY 0.06561 -0.02438 -0.00217 0.01582 -0.00765 124 3PZ 0.00718 0.08025 0.02623 0.01381 0.01261 125 4XX -0.06644 -0.11454 -0.01023 -0.41988 -1.05016 126 4YY 0.02770 0.06218 0.02509 -0.44257 -1.08693 127 4ZZ 0.08726 0.17631 0.02558 -0.45804 -1.11584 128 4XY -0.15882 0.03244 -0.00937 0.01295 0.00965 129 4XZ 0.25588 -0.03845 0.02943 -0.00522 -0.00167 130 4YZ 0.03559 -0.08017 -0.01090 -0.00006 -0.00743 131 14 C 1S 0.00955 -0.00915 0.00081 -0.09606 -0.22517 132 2S 0.11330 0.02219 0.01403 0.60857 1.33288 133 2PX -0.00265 -0.04276 -0.00361 -0.02548 -0.07097 134 2PY -0.01115 0.00109 -0.00160 -0.00006 0.00637 135 2PZ -0.00014 -0.01478 0.00064 -0.00255 -0.01200 136 3S -0.42031 0.15570 -0.02616 0.24932 0.85342 137 3PX 0.22971 -0.09367 0.02664 0.10391 0.12438 138 3PY 0.11504 -0.03979 0.01761 -0.00175 -0.03599 139 3PZ -0.04478 -0.03111 -0.02496 0.00325 0.00314 140 4XX -0.07373 0.05627 -0.00571 -0.33036 -0.72862 141 4YY -0.00356 -0.04522 -0.00220 -0.38137 -0.87772 142 4ZZ 0.06151 -0.04196 0.00444 -0.37832 -0.87135 143 4XY -0.06899 0.00703 -0.00549 0.00357 0.00562 144 4XZ 0.10629 0.05415 0.01409 0.01442 0.03991 145 4YZ 0.00274 0.01865 0.00086 0.00109 0.00145 146 15 H 1S 0.03975 0.01930 0.00239 0.03693 0.07593 147 2S -0.08588 0.00926 -0.01796 -0.10189 -0.22319 148 16 H 1S 0.00732 -0.00355 0.00377 0.03675 0.07474 149 2S 0.02102 0.01606 0.00504 -0.08373 -0.21388 150 17 H 1S 0.03736 -0.00510 0.00638 0.03826 0.07128 151 2S 0.02283 -0.01079 -0.00409 -0.11161 -0.27337 152 18 H 1S -0.07655 -0.06475 -0.01891 0.07094 0.13099 153 2S 0.05202 0.05058 0.01809 -0.10651 -0.24170 154 19 H 1S -0.01571 -0.01298 -0.01218 0.04661 0.05067 155 2S 0.05310 0.02625 0.01882 -0.09456 -0.15604 156 20 H 1S -0.02089 -0.02178 -0.04622 0.04197 0.05403 157 2S 0.07569 -0.04410 0.04626 -0.08398 -0.17711 151 152 153 154 155 V V V V V Eigenvalues -- 4.12473 4.15026 4.30293 4.34128 4.35372 1 1 C 1S 0.05167 -0.02925 0.30213 0.09435 -0.04819 2 2S -0.24857 0.12465 -1.49699 -0.42163 0.22153 3 2PX -0.03778 -0.08428 0.01081 -0.00392 -0.06768 4 2PY -0.02374 -0.00412 0.02509 -0.00514 -0.02448 5 2PZ 0.01790 0.01191 -0.01288 0.00228 0.04728 6 3S -0.28268 0.06191 -1.75916 -0.60183 0.50565 7 3PX 0.16686 0.23105 -0.08614 -0.02490 0.03835 8 3PY 0.11079 0.05586 -0.02673 0.00234 0.08641 9 3PZ 0.03331 -0.09341 0.04442 0.03903 -0.16137 10 4XX 0.16142 0.01087 1.08496 0.32154 -0.08997 11 4YY 0.17418 -0.12855 1.10072 0.33332 -0.17291 12 4ZZ 0.16756 -0.13442 1.11161 0.32772 -0.27024 13 4XY -0.03832 -0.06114 0.00709 -0.01056 -0.09599 14 4XZ 0.03320 0.05470 -0.02704 0.00526 0.09471 15 4YZ 0.03342 0.00496 0.01859 0.02238 0.06122 16 2 C 1S 0.00006 -0.26444 0.13337 0.04580 -0.20725 17 2S -0.00596 1.64146 -0.74400 -0.24415 1.23982 18 2PX -0.04979 -0.06750 -0.09184 -0.05868 0.06751 19 2PY -0.14962 0.02298 0.07807 -0.16996 -0.01019 20 2PZ -0.02382 0.00101 -0.01668 -0.02942 0.01403 21 3S 0.08173 0.29667 -0.43231 -0.11864 0.83629 22 3PX 0.09490 0.45877 -0.00625 0.01310 -0.13974 23 3PY -0.24093 -0.14624 -0.28558 0.10600 -0.13012 24 3PZ 0.00894 0.04699 -0.01974 0.02441 -0.02283 25 4XX 0.03355 -1.03745 0.40229 0.18981 -0.87227 26 4YY -0.03898 -0.92385 0.69402 0.16319 -0.97448 27 4ZZ 0.00570 -1.02810 0.49639 0.17483 -0.77555 28 4XY 0.14673 0.01459 0.05638 0.15550 -0.02357 29 4XZ 0.01168 -0.00473 -0.02672 0.01098 -0.02978 30 4YZ 0.01646 0.00126 0.03029 0.02695 -0.03658 31 3 C 1S -0.22787 -0.18370 -0.01995 -0.25080 0.09855 32 2S 1.41997 1.11467 0.13436 1.46323 -0.60183 33 2PX -0.08152 0.14491 -0.12250 0.09639 0.10572 34 2PY -0.05529 0.02941 -0.03805 -0.11338 0.09260 35 2PZ -0.01824 0.02062 -0.02052 0.00996 0.01834 36 3S 0.46520 0.98421 -0.32907 1.48431 -0.38823 37 3PX -0.07609 -0.30440 0.18967 -0.13333 -0.32254 38 3PY 0.01343 0.29617 -0.24589 0.19121 -0.01364 39 3PZ -0.01678 -0.00673 0.00261 -0.02041 -0.04402 40 4XX -0.84358 -0.75533 -0.08448 -1.21558 0.44347 41 4YY -0.89128 -0.62777 -0.10214 -0.97933 0.45287 42 4ZZ -0.88985 -0.70168 -0.09014 -0.94846 0.37642 43 4XY -0.06298 0.07857 -0.08648 -0.03572 0.09214 44 4XZ 0.00197 -0.00406 -0.00625 -0.05802 0.01827 45 4YZ -0.01388 0.02109 -0.01841 -0.01228 0.01899 46 4 C 1S -0.23283 0.09302 -0.14253 0.20982 0.09404 47 2S 1.40851 -0.49247 0.78021 -1.24546 -0.50380 48 2PX 0.04871 0.13143 0.00016 0.15944 -0.05890 49 2PY -0.08539 -0.08218 -0.08591 0.01779 0.11900 50 2PZ 0.00182 0.01695 -0.00702 0.02778 -0.00059 51 3S 0.74259 -0.67878 1.23937 -1.23055 -0.91194 52 3PX 0.01281 -0.30258 0.21945 -0.21946 -0.18960 53 3PY 0.18748 -0.06015 0.34298 -0.06784 -0.19600 54 3PZ 0.01775 -0.06384 0.06784 -0.03736 -0.05084 55 4XX -0.80874 0.43645 -0.54649 1.01062 0.31367 56 4YY -0.92700 0.23436 -0.61291 0.85391 0.47542 57 4ZZ -0.90137 0.35835 -0.53044 0.78734 0.34463 58 4XY -0.00320 0.00005 0.03810 -0.10341 -0.05408 59 4XZ 0.01825 0.01320 0.00121 0.03803 -0.01229 60 4YZ -0.00217 -0.00977 -0.00028 -0.01132 0.00254 61 5 C 1S 0.00387 0.22460 0.12234 0.02755 -0.19476 62 2S -0.01546 -1.36512 -0.67489 -0.14985 1.12010 63 2PX -0.03242 0.06919 0.04609 0.04806 -0.11024 64 2PY -0.16788 0.01287 -0.07879 0.16912 0.01066 65 2PZ -0.01747 0.01231 0.00205 0.02068 -0.01738 66 3S -0.05531 -0.55814 -1.03012 -0.27533 1.46108 67 3PX 0.00074 0.02310 -0.33607 -0.13892 0.37591 68 3PY 0.18084 0.00848 0.21017 -0.12363 0.01479 69 3PZ 0.01151 0.00364 -0.04202 -0.03347 0.05988 70 4XX -0.02963 0.87122 0.46357 0.15447 -0.77707 71 4YY 0.05899 0.88259 0.54924 0.07035 -0.92813 72 4ZZ 0.01045 0.87469 0.45459 0.10526 -0.72473 73 4XY -0.12095 0.02935 -0.03120 0.12749 -0.04037 74 4XZ -0.01757 0.00105 -0.00045 0.01958 -0.01495 75 4YZ -0.01644 0.00416 0.00347 0.01945 -0.02550 76 6 C 1S 0.22604 0.01883 0.02553 -0.24237 0.12302 77 2S -1.39579 -0.05063 -0.22774 1.38348 -0.70924 78 2PX -0.06837 0.17688 0.11527 -0.11346 -0.06297 79 2PY -0.05563 0.03677 0.00883 0.10654 -0.09817 80 2PZ -0.01612 0.02967 0.02086 -0.01076 -0.02104 81 3S -0.61309 -0.32825 0.37086 1.74373 -0.87910 82 3PX 0.10589 -0.14935 0.14814 0.26464 0.13553 83 3PY 0.12561 0.15578 -0.17463 -0.34263 0.32029 84 3PZ 0.02960 -0.00120 0.00854 0.01714 0.06337 85 4XX 0.83148 0.13687 0.23058 -1.14898 0.55076 86 4YY 0.88416 -0.02150 0.07969 -0.94291 0.52775 87 4ZZ 0.87764 0.07057 0.10131 -0.90914 0.46128 88 4XY 0.04781 -0.10817 -0.05194 -0.01759 0.08933 89 4XZ -0.00543 0.00729 0.02110 -0.05022 0.02790 90 4YZ 0.00856 -0.02755 -0.01026 -0.00602 0.01959 91 7 C 1S 0.20965 -0.23407 -0.15481 0.22206 0.06290 92 2S -1.31476 1.41793 0.92749 -1.28596 -0.38856 93 2PX 0.05050 0.08970 0.00997 -0.16508 0.06523 94 2PY -0.07793 -0.06096 0.09375 -0.00823 -0.11415 95 2PZ 0.00368 0.02088 0.00467 -0.03151 0.01413 96 3S -0.41687 1.03341 0.66318 -1.50807 -0.26551 97 3PX 0.10920 -0.23211 0.35894 0.41561 0.02451 98 3PY -0.08964 -0.24410 -0.20204 0.11693 -0.09502 99 3PZ 0.00741 -0.07580 0.05354 0.08221 -0.03256 100 4XX 0.72929 -0.96811 -0.69569 1.03395 0.18378 101 4YY 0.86518 -0.77893 -0.67784 0.88492 0.40033 102 4ZZ 0.81197 -0.90347 -0.59404 0.82822 0.23293 103 4XY 0.00178 0.00181 0.11198 -0.08504 -0.03879 104 4XZ -0.01707 -0.01314 -0.01150 0.03480 -0.01262 105 4YZ 0.00431 0.00668 0.01391 -0.00763 0.00506 106 8 H 1S -0.10052 0.09091 0.00141 -0.08739 -0.04028 107 2S 0.16720 -0.04704 -0.15225 0.12407 0.13999 108 9 H 1S -0.09561 -0.00854 -0.00806 0.07746 -0.04573 109 2S 0.13815 -0.04194 0.07227 -0.12496 0.04366 110 10 H 1S -0.00440 -0.08309 -0.05590 -0.01384 0.06500 111 2S -0.00530 0.16541 0.01989 -0.00111 -0.09525 112 11 H 1S 0.09980 -0.03461 0.05583 -0.06459 -0.02900 113 2S -0.12485 0.00246 -0.02331 0.14828 0.02067 114 12 H 1S 0.09470 0.08968 -0.01810 0.07228 -0.01025 115 2S -0.15394 -0.03598 -0.13196 -0.20035 0.10771 116 13 C 1S 0.13477 0.11918 0.05463 0.05109 0.23702 117 2S -0.83290 -0.70960 -0.38648 -0.32450 -1.45559 118 2PX -0.01015 -0.04622 0.12476 0.05494 0.05142 119 2PY -0.00796 -0.02042 0.04419 0.00782 -0.03057 120 2PZ 0.00848 0.01639 -0.01586 0.00568 0.05362 121 3S -0.44056 -0.43999 -0.12120 -0.25746 -1.43696 122 3PX -0.06400 0.31933 -0.36591 -0.24258 0.07174 123 3PY 0.00300 0.09622 -0.13763 -0.05857 0.08972 124 3PZ -0.06889 -0.04019 0.08535 0.00254 -0.04920 125 4XX 0.48680 0.46007 0.37156 0.26012 1.14519 126 4YY 0.52042 0.46517 0.16997 0.18428 0.92165 127 4ZZ 0.53152 0.45567 0.16675 0.19356 0.91438 128 4XY 0.00115 0.01412 -0.04073 -0.00312 0.04913 129 4XZ -0.01035 -0.01227 0.12163 0.03243 0.01006 130 4YZ -0.00610 0.01057 0.05814 0.00787 -0.00578 131 14 C 1S 0.11567 0.08244 -0.29418 -0.11470 -0.24282 132 2S -0.69584 -0.40816 1.62439 0.60689 1.43453 133 2PX 0.02394 0.03667 0.07619 0.03137 0.11876 134 2PY -0.00370 -0.00557 0.01158 0.00448 0.00152 135 2PZ 0.00546 0.00943 0.00217 0.00217 0.02416 136 3S -0.37354 -0.56438 1.79258 0.84140 1.45034 137 3PX -0.09123 0.05187 -0.07745 -0.09095 -0.07379 138 3PY 0.01627 0.01410 -0.00838 -0.00819 -0.01690 139 3PZ -0.00297 0.02777 0.01488 -0.00455 0.01799 140 4XX 0.39209 0.22919 -1.20264 -0.47046 -1.12790 141 4YY 0.45434 0.30857 -1.10418 -0.42224 -0.90441 142 4ZZ 0.44633 0.30356 -1.08819 -0.42089 -0.92315 143 4XY -0.00306 0.00209 -0.01045 -0.00480 -0.00820 144 4XZ -0.01985 -0.02579 -0.01864 -0.01189 -0.06487 145 4YZ 0.00067 0.00606 -0.01508 -0.00371 0.00948 146 15 H 1S -0.04076 -0.01280 0.04488 0.01136 0.04498 147 2S 0.11394 0.07992 -0.28883 -0.11377 -0.25341 148 16 H 1S -0.03790 -0.02190 0.04596 0.01175 0.02860 149 2S 0.10572 0.09706 -0.35525 -0.14007 -0.25082 150 17 H 1S -0.03979 -0.01552 0.05124 0.01115 0.02376 151 2S 0.13955 0.11016 -0.32456 -0.12582 -0.22281 152 18 H 1S -0.07297 0.00046 -0.03050 -0.03793 -0.02235 153 2S 0.09611 0.07735 0.04882 0.05339 0.23595 154 19 H 1S -0.02735 0.03023 -0.04757 -0.01854 0.03164 155 2S 0.02562 -0.05903 0.37270 0.11922 -0.03575 156 20 H 1S -0.00908 0.00418 -0.04487 -0.01182 -0.03272 157 2S 0.11528 0.00422 0.33471 0.14496 0.02032 156 157 V V Eigenvalues -- 4.46235 4.70470 1 1 C 1S -0.33562 0.11687 2 2S 1.84057 -0.70932 3 2PX 0.02324 -0.05915 4 2PY -0.06916 0.03130 5 2PZ 0.08599 -0.03055 6 3S 2.53163 -0.51870 7 3PX -0.11138 -0.02850 8 3PY 0.07197 0.00462 9 3PZ -0.11289 -0.05148 10 4XX -1.45154 0.62119 11 4YY -1.26572 0.47779 12 4ZZ -1.31669 0.42547 13 4XY -0.03665 -0.02168 14 4XZ 0.06648 0.01273 15 4YZ 0.08824 -0.02731 16 2 C 1S 0.14441 -0.26302 17 2S -0.95198 1.31282 18 2PX 0.06582 0.10849 19 2PY -0.00934 -0.02707 20 2PZ 0.00385 0.02338 21 3S -0.60910 3.73345 22 3PX -0.59111 -1.30108 23 3PY 0.08406 0.32263 24 3PZ -0.05119 -0.21805 25 4XX 0.78966 -1.11510 26 4YY 0.55390 -1.28924 27 4ZZ 0.56537 -0.92224 28 4XY -0.06809 -0.04239 29 4XZ 0.04192 -0.04434 30 4YZ -0.02736 -0.03757 31 3 C 1S 0.04281 0.20519 32 2S -0.15430 -0.99298 33 2PX -0.07967 -0.02942 34 2PY -0.02935 0.16427 35 2PZ -0.01914 0.00572 36 3S -0.66613 -3.35459 37 3PX 0.08621 0.38285 38 3PY -0.26692 -1.31930 39 3PZ -0.01251 -0.02095 40 4XX 0.24419 1.04627 41 4YY 0.04562 0.83291 42 4ZZ 0.15911 0.70982 43 4XY -0.04282 0.11675 44 4XZ 0.00814 0.07944 45 4YZ -0.02270 0.03358 46 4 C 1S -0.13103 -0.18991 47 2S 0.72096 0.87629 48 2PX -0.02367 -0.10411 49 2PY -0.10235 -0.10044 50 2PZ -0.01128 -0.02451 51 3S 1.30459 3.24619 52 3PX 0.18123 0.89302 53 3PY 0.38399 1.03153 54 3PZ 0.06026 0.22263 55 4XX -0.57827 -0.87164 56 4YY -0.62271 -0.82863 57 4ZZ -0.47349 -0.64733 58 4XY 0.11507 0.16694 59 4XZ -0.01339 -0.03296 60 4YZ 0.00715 0.01229 61 5 C 1S 0.17327 0.18382 62 2S -0.95664 -0.83776 63 2PX 0.11026 0.13562 64 2PY -0.03043 -0.03254 65 2PZ 0.01721 0.02029 66 3S -1.65176 -3.23197 67 3PX -0.47010 -1.33721 68 3PY 0.13258 0.30735 69 3PZ -0.07522 -0.20223 70 4XX 0.68148 0.68917 71 4YY 0.88029 0.94764 72 4ZZ 0.62961 0.62687 73 4XY 0.04591 0.06298 74 4XZ 0.01323 0.01782 75 4YZ 0.02878 0.03757 76 6 C 1S -0.11885 -0.19130 77 2S 0.64721 0.87260 78 2PX 0.03397 -0.05363 79 2PY 0.09550 0.13565 80 2PZ 0.01077 0.00037 81 3S 1.25391 3.30987 82 3PX 0.06042 0.45832 83 3PY -0.40327 -1.33377 84 3PZ -0.00659 -0.01798 85 4XX -0.58252 -0.96308 86 4YY -0.49271 -0.72982 87 4ZZ -0.43362 -0.65890 88 4XY -0.09735 -0.08803 89 4XZ -0.03550 -0.06731 90 4YZ -0.02253 -0.02203 91 7 C 1S 0.02029 0.20539 92 2S -0.02637 -0.98401 93 2PX -0.05917 -0.09904 94 2PY 0.06695 -0.13006 95 2PZ 0.00136 -0.02388 96 3S -0.54783 -3.45746 97 3PX 0.25380 0.92065 98 3PY 0.15599 1.03890 99 3PZ 0.02747 0.22925 100 4XX 0.12671 0.92832 101 4YY -0.03132 0.95094 102 4ZZ 0.07463 0.69907 103 4XY -0.04391 -0.17451 104 4XZ 0.00667 0.03315 105 4YZ -0.01573 -0.00981 106 8 H 1S -0.00100 -0.08947 107 2S -0.02844 -0.10221 108 9 H 1S 0.03534 0.07876 109 2S -0.02805 0.13521 110 10 H 1S -0.05249 -0.07631 111 2S 0.05055 -0.13511 112 11 H 1S 0.04067 0.07851 113 2S -0.03723 0.13050 114 12 H 1S 0.00612 -0.08419 115 2S -0.00634 -0.11395 116 13 C 1S 0.19222 -0.02199 117 2S -1.23366 0.19694 118 2PX 0.00638 -0.01094 119 2PY -0.05424 0.00858 120 2PZ 0.07948 -0.02215 121 3S -1.47316 0.22415 122 3PX -0.00391 0.11749 123 3PY 0.11537 0.01039 124 3PZ -0.13099 0.03636 125 4XX 0.92877 -0.12980 126 4YY 0.78582 -0.10119 127 4ZZ 0.82216 -0.13034 128 4XY 0.09110 -0.02346 129 4XZ -0.09792 0.03786 130 4YZ -0.09384 0.04279 131 14 C 1S -0.09487 0.00865 132 2S 0.58365 -0.05030 133 2PX 0.06334 -0.00131 134 2PY -0.00891 0.00462 135 2PZ 0.02354 -0.00439 136 3S 0.76334 -0.16355 137 3PX -0.12871 0.05013 138 3PY 0.00891 -0.02178 139 3PZ -0.03219 0.02873 140 4XX -0.49772 0.04576 141 4YY -0.33848 0.02667 142 4ZZ -0.37522 0.03652 143 4XY -0.00986 0.00538 144 4XZ -0.04937 0.00407 145 4YZ 0.01763 -0.00193 146 15 H 1S 0.01147 0.00485 147 2S -0.12258 0.02350 148 16 H 1S 0.00578 -0.00231 149 2S -0.07195 0.00486 150 17 H 1S -0.01260 0.00484 151 2S -0.04416 -0.00789 152 18 H 1S -0.04249 0.02372 153 2S 0.21718 -0.02610 154 19 H 1S 0.01782 0.01886 155 2S -0.33890 0.10841 156 20 H 1S 0.00246 -0.02004 157 2S -0.34813 0.12682 Beta Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -10.19026 -10.18939 -10.18422 -10.18406 -10.18291 1 1 C 1S 0.13666 0.98357 0.00028 0.00005 -0.00015 2 2S 0.00700 0.05002 -0.00012 -0.00004 -0.00000 3 2PX 0.00021 -0.00008 0.00003 -0.00001 -0.00005 4 2PY -0.00002 0.00006 -0.00001 -0.00002 0.00002 5 2PZ 0.00005 -0.00004 0.00001 -0.00001 -0.00001 6 3S -0.00168 -0.02160 0.00025 0.00005 0.00111 7 3PX -0.00127 0.00123 -0.00024 0.00014 -0.00036 8 3PY -0.00038 -0.00083 0.00001 0.00036 0.00002 9 3PZ 0.00047 0.00106 -0.00008 0.00009 -0.00009 10 4XX -0.00167 -0.00888 0.00000 -0.00002 0.00001 11 4YY -0.00132 -0.00877 -0.00004 -0.00001 0.00001 12 4ZZ -0.00126 -0.00879 -0.00005 -0.00001 0.00002 13 4XY 0.00007 -0.00000 -0.00000 -0.00003 0.00001 14 4XZ -0.00005 -0.00002 0.00001 -0.00001 -0.00000 15 4YZ 0.00009 0.00004 -0.00000 -0.00001 -0.00000 16 2 C 1S 0.98249 -0.13664 -0.00608 -0.00047 0.00401 17 2S 0.04915 -0.00702 -0.00028 0.00000 -0.00004 18 2PX -0.00001 -0.00020 0.00008 0.00001 0.00003 19 2PY 0.00005 0.00009 0.00001 -0.00004 -0.00002 20 2PZ -0.00005 -0.00003 0.00002 -0.00001 0.00001 21 3S -0.01836 0.00734 -0.00316 -0.00129 0.00484 22 3PX 0.00276 0.00306 0.00142 0.00056 -0.00341 23 3PY -0.00086 -0.00160 -0.00023 -0.00069 0.00090 24 3PZ 0.00052 0.00024 0.00022 0.00006 -0.00052 25 4XX -0.00906 0.00095 0.00006 0.00002 -0.00004 26 4YY -0.00888 0.00109 0.00007 0.00003 0.00000 27 4ZZ -0.00923 0.00115 0.00006 0.00001 -0.00012 28 4XY 0.00008 0.00010 0.00001 -0.00001 0.00001 29 4XZ 0.00004 -0.00006 0.00000 -0.00000 0.00002 30 4YZ 0.00006 0.00003 0.00000 0.00000 0.00001 31 3 C 1S 0.03209 -0.00534 0.10909 -0.06369 -0.06820 32 2S 0.00104 -0.00026 0.00484 -0.00307 -0.00311 33 2PX -0.00024 -0.00007 0.00029 -0.00014 -0.00003 34 2PY -0.00029 0.00007 -0.00010 0.00001 0.00001 35 2PZ -0.00004 0.00002 0.00004 -0.00002 -0.00001 36 3S 0.00677 -0.00167 0.00581 -0.00063 -0.00568 37 3PX 0.00091 -0.00003 -0.00217 0.00035 0.00146 38 3PY 0.00321 -0.00069 0.00257 0.00005 -0.00333 39 3PZ 0.00027 -0.00009 -0.00017 0.00005 0.00000 40 4XX -0.00068 -0.00000 -0.00136 0.00080 0.00079 41 4YY -0.00064 0.00017 -0.00120 0.00069 0.00072 42 4ZZ -0.00052 0.00000 -0.00126 0.00064 0.00076 43 4XY -0.00014 0.00002 0.00000 -0.00001 -0.00004 44 4XZ -0.00005 0.00000 -0.00002 0.00003 0.00000 45 4YZ -0.00004 0.00002 0.00000 0.00000 -0.00001 46 4 C 1S 0.00138 -0.00037 0.85381 -0.44227 -0.20488 47 2S 0.00011 -0.00019 0.04258 -0.02213 -0.01088 48 2PX -0.00003 -0.00002 0.00011 -0.00003 0.00004 49 2PY 0.00001 -0.00002 0.00002 -0.00016 -0.00035 50 2PZ -0.00001 -0.00001 0.00002 -0.00002 -0.00002 51 3S -0.00272 0.00172 -0.01475 0.00561 0.01303 52 3PX -0.00091 0.00079 -0.00252 0.00003 0.00239 53 3PY -0.00152 0.00095 -0.00239 0.00062 0.00495 54 3PZ -0.00022 0.00023 -0.00060 0.00005 0.00077 55 4XX 0.00007 0.00002 -0.00804 0.00412 0.00166 56 4YY 0.00000 -0.00001 -0.00802 0.00415 0.00152 57 4ZZ 0.00001 -0.00007 -0.00824 0.00425 0.00176 58 4XY 0.00001 -0.00001 -0.00003 0.00005 0.00012 59 4XZ 0.00002 0.00002 0.00004 -0.00002 -0.00001 60 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 61 5 C 1S -0.00041 0.00007 0.29045 0.11286 0.94172 62 2S -0.00023 0.00006 0.01376 0.00538 0.04750 63 2PX -0.00003 -0.00002 -0.00019 -0.00014 0.00031 64 2PY 0.00001 0.00000 0.00017 -0.00032 -0.00006 65 2PZ -0.00000 -0.00001 -0.00002 -0.00005 0.00005 66 3S 0.00314 -0.00131 0.00491 0.00161 -0.02206 67 3PX 0.00171 -0.00090 0.00325 0.00162 -0.00621 68 3PY -0.00038 0.00050 -0.00145 0.00173 0.00134 69 3PZ 0.00026 -0.00010 0.00045 0.00040 -0.00095 70 4XX -0.00001 -0.00001 -0.00301 -0.00120 -0.00870 71 4YY 0.00001 -0.00000 -0.00322 -0.00119 -0.00849 72 4ZZ -0.00008 -0.00000 -0.00305 -0.00118 -0.00892 73 4XY 0.00000 0.00001 -0.00002 -0.00011 0.00005 74 4XZ 0.00001 0.00000 0.00001 -0.00001 0.00005 75 4YZ 0.00001 0.00001 -0.00002 -0.00002 0.00005 76 6 C 1S 0.00118 -0.00037 0.39873 0.87585 -0.22724 77 2S 0.00011 -0.00022 0.01985 0.04376 -0.01201 78 2PX -0.00004 -0.00002 0.00009 0.00004 0.00017 79 2PY 0.00001 0.00002 0.00004 -0.00017 0.00031 80 2PZ 0.00000 0.00001 0.00002 -0.00000 0.00005 81 3S -0.00284 0.00234 -0.00820 -0.01386 0.01356 82 3PX -0.00027 0.00118 -0.00122 -0.00083 0.00033 83 3PY 0.00184 -0.00093 0.00221 0.00258 -0.00566 84 3PZ 0.00004 0.00007 -0.00005 0.00004 -0.00035 85 4XX 0.00005 0.00003 -0.00377 -0.00816 0.00175 86 4YY 0.00002 -0.00002 -0.00374 -0.00826 0.00183 87 4ZZ 0.00001 -0.00009 -0.00386 -0.00843 0.00196 88 4XY -0.00003 -0.00002 0.00001 0.00002 -0.00014 89 4XZ -0.00000 0.00001 0.00002 0.00005 -0.00005 90 4YZ -0.00000 0.00001 0.00001 0.00002 -0.00004 91 7 C 1S 0.02742 -0.00432 0.03196 0.07756 -0.03068 92 2S 0.00080 -0.00023 0.00118 0.00340 -0.00121 93 2PX -0.00006 -0.00009 0.00017 0.00030 -0.00005 94 2PY 0.00034 -0.00003 0.00001 -0.00006 0.00001 95 2PZ -0.00003 -0.00005 0.00003 0.00005 -0.00001 96 3S 0.00711 -0.00138 0.00441 0.00497 -0.00649 97 3PX -0.00051 0.00131 -0.00216 -0.00227 0.00273 98 3PY -0.00343 -0.00047 -0.00128 -0.00090 0.00257 99 3PZ -0.00025 0.00033 -0.00045 -0.00045 0.00064 100 4XX -0.00049 0.00003 -0.00043 -0.00106 0.00046 101 4YY -0.00067 0.00024 -0.00039 -0.00095 0.00036 102 4ZZ -0.00045 0.00001 -0.00045 -0.00090 0.00041 103 4XY 0.00010 0.00002 0.00002 0.00008 -0.00001 104 4XZ -0.00000 0.00001 0.00001 -0.00003 0.00001 105 4YZ 0.00001 0.00002 0.00001 0.00001 -0.00001 106 8 H 1S -0.00002 -0.00009 0.00003 -0.00004 -0.00009 107 2S 0.00045 0.00005 0.00062 0.00048 -0.00083 108 9 H 1S -0.00007 0.00000 -0.00023 -0.00039 0.00016 109 2S -0.00035 0.00035 0.00029 0.00109 0.00065 110 10 H 1S 0.00004 -0.00005 -0.00010 -0.00004 -0.00047 111 2S 0.00044 -0.00022 0.00125 0.00047 0.00049 112 11 H 1S -0.00007 0.00003 -0.00042 0.00016 0.00015 113 2S -0.00033 0.00040 0.00092 -0.00070 0.00066 114 12 H 1S -0.00004 -0.00002 -0.00002 0.00006 -0.00007 115 2S 0.00044 -0.00029 0.00082 -0.00001 -0.00087 116 13 C 1S 0.00110 0.00908 -0.00002 -0.00003 0.00002 117 2S -0.00010 0.00019 0.00000 -0.00001 0.00001 118 2PX 0.00018 0.00001 0.00001 0.00003 -0.00001 119 2PY 0.00008 0.00010 -0.00001 -0.00000 0.00001 120 2PZ 0.00001 -0.00010 -0.00001 0.00000 0.00000 121 3S 0.00056 0.00498 -0.00006 -0.00009 -0.00009 122 3PX -0.00206 -0.00156 0.00005 -0.00012 0.00002 123 3PY -0.00066 -0.00122 0.00003 0.00002 0.00001 124 3PZ 0.00029 0.00148 0.00006 -0.00017 -0.00004 125 4XX -0.00006 -0.00026 -0.00001 -0.00001 0.00001 126 4YY -0.00008 -0.00030 -0.00000 0.00000 0.00000 127 4ZZ -0.00000 -0.00029 -0.00000 -0.00002 0.00000 128 4XY 0.00000 -0.00007 -0.00000 -0.00000 -0.00000 129 4XZ -0.00004 0.00015 -0.00000 0.00000 0.00001 130 4YZ -0.00006 0.00012 -0.00001 -0.00001 0.00000 131 14 C 1S -0.00020 -0.00020 -0.00003 0.00002 -0.00004 132 2S -0.00022 -0.00009 -0.00001 -0.00001 -0.00001 133 2PX -0.00003 0.00009 0.00000 -0.00001 0.00000 134 2PY 0.00001 0.00003 0.00001 0.00000 0.00000 135 2PZ -0.00002 -0.00003 -0.00000 0.00000 -0.00000 136 3S 0.00183 0.00015 0.00001 0.00012 0.00004 137 3PX -0.00074 0.00011 -0.00001 -0.00004 -0.00003 138 3PY 0.00000 0.00006 -0.00006 -0.00001 -0.00001 139 3PZ -0.00018 -0.00007 0.00001 0.00001 0.00003 140 4XX 0.00001 -0.00007 0.00000 0.00001 -0.00000 141 4YY -0.00007 -0.00007 -0.00000 0.00000 -0.00000 142 4ZZ -0.00006 -0.00001 -0.00000 -0.00000 -0.00000 143 4XY -0.00001 -0.00001 0.00000 0.00000 0.00000 144 4XZ 0.00003 0.00003 0.00000 -0.00000 -0.00000 145 4YZ -0.00002 -0.00005 0.00000 0.00000 0.00000 146 15 H 1S -0.00008 -0.00003 0.00000 -0.00000 0.00000 147 2S 0.00000 0.00011 0.00002 0.00000 0.00001 148 16 H 1S -0.00004 0.00001 -0.00000 0.00000 -0.00001 149 2S -0.00012 -0.00017 0.00001 -0.00002 -0.00001 150 17 H 1S -0.00006 0.00003 -0.00001 -0.00001 -0.00000 151 2S -0.00005 -0.00017 -0.00003 0.00000 0.00001 152 18 H 1S -0.00022 -0.00012 0.00001 -0.00002 0.00000 153 2S 0.00017 -0.00005 0.00004 -0.00009 -0.00001 154 19 H 1S -0.00015 0.00014 -0.00002 -0.00004 -0.00001 155 2S 0.00070 0.00279 -0.00000 -0.00008 0.00000 156 20 H 1S -0.00001 0.00013 -0.00004 0.00003 -0.00001 157 2S 0.00014 0.00286 0.00005 0.00011 -0.00007 6 7 8 9 10 O O O O O Eigenvalues -- -10.18208 -10.18089 -10.18057 -10.17518 -0.84842 1 1 C 1S 0.00080 0.00049 -0.00006 -0.00937 -0.04952 2 2S -0.00012 -0.00006 -0.00005 -0.00057 0.09144 3 2PX -0.00004 -0.00004 -0.00010 -0.00018 -0.02916 4 2PY 0.00003 -0.00001 -0.00001 -0.00016 0.00883 5 2PZ -0.00000 -0.00001 -0.00000 0.00025 -0.00771 6 3S 0.00180 0.00124 -0.00069 0.00328 0.08078 7 3PX -0.00054 -0.00077 0.00109 0.00145 -0.00749 8 3PY 0.00034 -0.00014 -0.00022 0.00097 0.00226 9 3PZ -0.00014 -0.00009 0.00012 -0.00118 -0.00258 10 4XX 0.00005 0.00010 -0.00012 -0.00019 0.00370 11 4YY 0.00001 0.00005 -0.00006 -0.00007 -0.00143 12 4ZZ -0.00004 -0.00001 -0.00001 -0.00020 -0.00188 13 4XY -0.00002 -0.00001 0.00004 -0.00018 -0.00121 14 4XZ 0.00001 0.00003 -0.00001 0.00016 0.00114 15 4YZ -0.00000 0.00002 -0.00002 0.00020 -0.00036 16 2 C 1S -0.03221 -0.02818 0.00006 0.00014 -0.10661 17 2S -0.00226 -0.00202 -0.00015 -0.00006 0.20524 18 2PX 0.00031 0.00022 -0.00008 -0.00002 -0.04133 19 2PY 0.00023 -0.00034 0.00002 0.00001 0.00921 20 2PZ 0.00007 -0.00000 0.00002 -0.00003 -0.00648 21 3S 0.01006 0.00970 0.00083 -0.00044 0.11731 22 3PX -0.00590 -0.00498 0.00167 0.00007 -0.00610 23 3PY -0.00088 0.00325 -0.00027 -0.00123 0.00543 24 3PZ -0.00107 -0.00057 0.00009 0.00018 -0.00130 25 4XX 0.00000 0.00002 0.00002 0.00003 0.00196 26 4YY -0.00010 -0.00017 -0.00007 -0.00006 0.00211 27 4ZZ 0.00009 0.00007 -0.00007 0.00001 -0.01120 28 4XY -0.00009 0.00003 -0.00001 0.00002 -0.00023 29 4XZ -0.00002 -0.00001 -0.00000 -0.00001 0.00262 30 4YZ -0.00003 -0.00001 -0.00001 -0.00004 0.00105 31 3 C 1S 0.98183 0.00602 0.00003 -0.00000 -0.09347 32 2S 0.04942 0.00043 -0.00002 0.00000 0.17756 33 2PX -0.00013 -0.00002 0.00000 0.00003 -0.00787 34 2PY 0.00023 -0.00002 0.00000 0.00000 0.05674 35 2PZ -0.00000 -0.00000 -0.00000 -0.00002 0.00284 36 3S -0.02168 -0.00495 0.00045 -0.00019 0.11779 37 3PX 0.00174 0.00123 -0.00023 -0.00067 0.00126 38 3PY -0.00577 -0.00287 0.00053 -0.00010 0.00957 39 3PZ -0.00013 -0.00003 0.00007 -0.00011 0.00131 40 4XX -0.00897 0.00001 -0.00002 0.00001 0.00295 41 4YY -0.00916 0.00002 0.00003 -0.00000 0.00306 42 4ZZ -0.00935 -0.00001 -0.00000 0.00000 -0.01018 43 4XY 0.00004 0.00003 0.00001 -0.00001 0.00069 44 4XZ 0.00008 0.00000 0.00000 -0.00000 0.00273 45 4YZ 0.00002 0.00000 0.00001 -0.00002 0.00130 46 4 C 1S -0.13832 -0.00045 0.00002 0.00001 -0.08539 47 2S -0.00762 -0.00031 -0.00001 -0.00000 0.16332 48 2PX -0.00035 -0.00002 -0.00001 -0.00001 0.03879 49 2PY -0.00003 -0.00002 -0.00001 0.00000 0.03946 50 2PZ -0.00006 -0.00001 -0.00000 0.00000 0.00942 51 3S 0.01226 0.00487 -0.00037 -0.00005 0.09996 52 3PX 0.00443 0.00189 -0.00007 -0.00030 0.00367 53 3PY 0.00303 0.00203 -0.00009 0.00036 0.00160 54 3PZ 0.00097 0.00048 -0.00004 -0.00004 0.00059 55 4XX 0.00085 -0.00001 0.00000 -0.00001 0.00272 56 4YY 0.00101 -0.00001 -0.00000 0.00001 0.00246 57 4ZZ 0.00109 -0.00010 -0.00001 -0.00000 -0.00930 58 4XY 0.00013 -0.00001 -0.00000 0.00000 -0.00019 59 4XZ -0.00004 0.00002 -0.00000 -0.00001 0.00241 60 4YZ 0.00001 0.00000 0.00000 0.00000 0.00100 61 5 C 1S 0.04049 0.01138 0.00005 -0.00001 -0.08333 62 2S 0.00225 0.00076 -0.00002 0.00001 0.15875 63 2PX 0.00002 -0.00001 -0.00001 0.00001 0.05358 64 2PY -0.00000 -0.00002 0.00001 -0.00001 -0.01207 65 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00811 66 3S -0.00666 -0.00569 0.00022 -0.00002 0.10333 67 3PX -0.00329 -0.00306 0.00016 -0.00008 0.00785 68 3PY 0.00098 0.00050 -0.00008 0.00050 -0.00261 69 3PZ -0.00049 -0.00048 0.00003 -0.00001 0.00116 70 4XX -0.00029 -0.00000 -0.00000 0.00000 0.00252 71 4YY -0.00024 -0.00003 0.00000 -0.00000 0.00262 72 4ZZ -0.00031 -0.00004 -0.00001 0.00000 -0.00912 73 4XY -0.00004 0.00004 0.00000 0.00001 -0.00024 74 4XZ 0.00000 0.00001 0.00000 -0.00000 0.00233 75 4YZ -0.00000 0.00001 -0.00000 -0.00000 0.00098 76 6 C 1S -0.00286 -0.08922 -0.00015 0.00003 -0.08520 77 2S -0.00044 -0.00515 0.00000 -0.00007 0.16301 78 2PX -0.00000 -0.00032 -0.00001 0.00002 0.02007 79 2PY 0.00003 0.00016 0.00001 -0.00001 -0.05232 80 2PZ 0.00000 -0.00004 -0.00001 -0.00001 -0.00042 81 3S 0.00526 0.01114 -0.00053 0.00096 0.09835 82 3PX 0.00093 0.00282 -0.00020 0.00091 0.00038 83 3PY -0.00287 -0.00432 0.00014 0.00016 -0.00395 84 3PZ -0.00005 0.00015 -0.00002 0.00027 -0.00016 85 4XX 0.00001 0.00036 -0.00000 0.00004 0.00261 86 4YY -0.00001 0.00061 0.00000 -0.00002 0.00256 87 4ZZ -0.00008 0.00062 0.00000 -0.00003 -0.00926 88 4XY -0.00000 -0.00000 0.00000 -0.00001 -0.00037 89 4XZ 0.00002 -0.00005 -0.00000 0.00002 0.00237 90 4YZ 0.00001 -0.00000 -0.00000 -0.00001 0.00096 91 7 C 1S -0.00756 0.98838 0.00150 -0.00000 -0.09322 92 2S -0.00023 0.04972 0.00001 0.00002 0.17708 93 2PX -0.00001 -0.00019 0.00000 -0.00006 -0.02939 94 2PY 0.00002 -0.00017 -0.00001 0.00005 -0.04851 95 2PZ 0.00000 -0.00006 0.00001 0.00004 -0.00845 96 3S -0.00505 -0.02123 0.00072 -0.00028 0.11461 97 3PX 0.00231 0.00366 -0.00052 0.00107 -0.00591 98 3PY 0.00220 0.00444 -0.00029 -0.00119 -0.00601 99 3PZ 0.00054 0.00095 -0.00010 -0.00012 -0.00145 100 4XX 0.00012 -0.00910 -0.00003 -0.00007 0.00237 101 4YY 0.00017 -0.00919 -0.00000 0.00009 0.00355 102 4ZZ 0.00013 -0.00942 -0.00005 0.00000 -0.01018 103 4XY -0.00001 -0.00012 0.00001 -0.00000 -0.00081 104 4XZ -0.00000 0.00006 0.00000 -0.00002 0.00248 105 4YZ 0.00000 0.00000 -0.00000 0.00002 0.00102 106 8 H 1S -0.00010 -0.00047 0.00003 -0.00014 0.03614 107 2S -0.00072 0.00067 0.00015 0.00058 0.00463 108 9 H 1S 0.00008 0.00010 0.00000 -0.00003 0.03164 109 2S 0.00070 0.00083 -0.00002 -0.00003 0.00267 110 10 H 1S -0.00010 -0.00009 0.00001 -0.00002 0.03079 111 2S -0.00060 -0.00058 0.00005 -0.00006 0.00375 112 11 H 1S 0.00012 0.00007 0.00000 0.00001 0.03169 113 2S 0.00080 0.00066 -0.00001 0.00003 0.00253 114 12 H 1S -0.00047 -0.00010 0.00002 0.00004 0.03620 115 2S 0.00065 -0.00068 0.00028 -0.00001 0.00532 116 13 C 1S 0.00002 -0.00001 0.02522 0.99275 -0.02028 117 2S -0.00000 0.00003 0.00098 0.04721 0.03846 118 2PX -0.00001 0.00005 -0.00025 0.00012 -0.01295 119 2PY 0.00000 -0.00001 -0.00002 -0.00032 -0.00870 120 2PZ -0.00001 -0.00001 -0.00006 0.00007 0.00980 121 3S -0.00014 -0.00032 0.00409 -0.01407 0.02025 122 3PX 0.00009 -0.00040 0.00241 -0.00042 0.00337 123 3PY 0.00007 -0.00003 0.00025 0.00083 0.00036 124 3PZ -0.00005 0.00011 0.00036 -0.00098 0.00074 125 4XX 0.00002 -0.00002 -0.00062 -0.00833 0.00151 126 4YY 0.00001 0.00001 -0.00039 -0.00913 -0.00202 127 4ZZ -0.00001 0.00003 -0.00034 -0.00844 0.00060 128 4XY -0.00001 0.00000 -0.00001 0.00021 0.00170 129 4XZ -0.00000 -0.00001 -0.00005 0.00009 -0.00088 130 4YZ 0.00000 -0.00001 -0.00001 -0.00031 -0.00207 131 14 C 1S -0.00002 -0.00154 0.99258 -0.02545 -0.00794 132 2S -0.00000 -0.00015 0.05002 -0.00144 0.01522 133 2PX 0.00000 -0.00001 -0.00002 0.00036 -0.00643 134 2PY 0.00001 0.00002 -0.00006 -0.00005 -0.00108 135 2PZ -0.00000 -0.00001 0.00002 0.00008 -0.00004 136 3S -0.00003 0.00056 -0.01727 0.00382 0.00841 137 3PX -0.00000 -0.00022 0.00096 -0.00180 -0.00015 138 3PY -0.00006 -0.00011 0.00023 0.00002 -0.00103 139 3PZ 0.00003 -0.00005 0.00009 -0.00017 0.00107 140 4XX -0.00000 0.00002 -0.00920 -0.00032 0.00074 141 4YY 0.00000 -0.00001 -0.00914 0.00017 -0.00027 142 4ZZ -0.00000 -0.00001 -0.00914 0.00009 -0.00020 143 4XY 0.00000 0.00000 0.00001 -0.00001 0.00018 144 4XZ -0.00000 0.00001 -0.00001 -0.00014 0.00004 145 4YZ 0.00000 0.00000 -0.00001 0.00004 0.00005 146 15 H 1S 0.00001 -0.00001 -0.00005 -0.00009 0.00344 147 2S 0.00003 0.00002 0.00261 -0.00009 0.00085 148 16 H 1S -0.00000 -0.00002 -0.00003 -0.00013 0.00404 149 2S -0.00000 -0.00001 0.00275 -0.00005 0.00097 150 17 H 1S -0.00001 -0.00003 -0.00002 -0.00017 0.00371 151 2S -0.00000 -0.00006 0.00277 0.00039 0.00021 152 18 H 1S 0.00002 -0.00006 -0.00013 -0.00037 0.01063 153 2S -0.00001 0.00020 0.00008 0.00202 0.00280 154 19 H 1S -0.00002 -0.00002 -0.00003 -0.00007 0.02315 155 2S -0.00004 0.00009 -0.00017 0.00009 0.00112 156 20 H 1S -0.00003 -0.00003 -0.00000 -0.00019 0.02312 157 2S -0.00002 0.00003 -0.00021 0.00041 0.00231 11 12 13 14 15 O O O O O Eigenvalues -- -0.78175 -0.73697 -0.73466 -0.67773 -0.59861 1 1 C 1S -0.12529 -0.00214 -0.00171 -0.12098 0.00600 2 2S 0.23971 0.00434 0.00331 0.23862 -0.01217 3 2PX -0.00139 -0.03936 0.06950 0.01739 0.02532 4 2PY 0.01947 -0.01891 0.00147 -0.00731 0.06453 5 2PZ -0.02082 0.00560 -0.01381 0.00411 -0.00901 6 3S 0.19875 0.00013 0.00804 0.22670 -0.01029 7 3PX 0.00886 -0.01362 0.02158 0.00499 0.01595 8 3PY 0.00284 -0.00695 0.00392 -0.01021 0.03143 9 3PZ -0.00130 0.00159 -0.00341 0.00710 -0.00065 10 4XX 0.00097 0.00192 -0.00245 -0.00698 -0.00163 11 4YY -0.00131 -0.00041 0.00053 0.00070 -0.00045 12 4ZZ -0.00128 -0.00130 0.00194 0.00077 0.00174 13 4XY 0.00096 -0.00064 0.00442 0.00030 -0.00276 14 4XZ -0.00068 0.00228 -0.00367 0.00064 -0.00201 15 4YZ -0.00104 0.00108 -0.00128 0.00092 -0.00201 16 2 C 1S -0.07225 -0.04094 0.07603 0.02643 0.00860 17 2S 0.14175 0.08172 -0.15130 -0.05342 -0.01879 18 2PX 0.06676 -0.03056 0.01193 0.13289 0.03374 19 2PY -0.00961 -0.10069 -0.05261 -0.02845 0.20628 20 2PZ 0.00840 -0.01075 -0.00490 0.02052 0.01664 21 3S 0.09064 0.05543 -0.10670 -0.05345 -0.00557 22 3PX 0.02643 -0.00281 -0.00311 0.03244 0.00498 23 3PY -0.00343 -0.01222 -0.01454 0.00022 0.03256 24 3PZ 0.00328 -0.00151 -0.00133 0.00395 0.00229 25 4XX 0.00406 0.00183 0.00422 0.00812 -0.00234 26 4YY -0.00243 -0.00253 -0.00348 -0.00663 0.00333 27 4ZZ -0.00664 -0.00343 0.00705 0.00264 0.00031 28 4XY -0.00166 0.00864 0.00373 -0.00376 -0.00654 29 4XZ 0.00174 0.00190 -0.00060 0.00069 -0.00146 30 4YZ -0.00000 0.00157 -0.00024 -0.00147 -0.00090 31 3 C 1S -0.00189 -0.12149 -0.01165 0.06327 0.07830 32 2S 0.00396 0.23894 0.02348 -0.12607 -0.16025 33 2PX 0.06608 -0.02187 -0.08109 -0.00280 -0.13307 34 2PY 0.00504 0.01162 -0.02495 -0.02366 0.01969 35 2PZ 0.01127 -0.00247 -0.01605 -0.00218 -0.02209 36 3S 0.00834 0.18256 0.01125 -0.09811 -0.13320 37 3PX 0.01264 0.00368 -0.01332 0.00623 -0.05829 38 3PY 0.00483 -0.00882 -0.00712 0.00754 0.02885 39 3PZ 0.00252 0.00027 -0.00324 0.00173 -0.00837 40 4XX -0.00127 0.00295 0.00417 0.00390 0.00706 41 4YY 0.00178 0.00017 -0.00393 -0.00336 -0.00406 42 4ZZ 0.00005 -0.01135 -0.00109 0.00578 0.00634 43 4XY 0.00513 -0.00110 -0.00626 -0.00114 -0.00157 44 4XZ 0.00009 0.00287 0.00047 -0.00047 -0.00012 45 4YZ 0.00100 0.00088 -0.00137 -0.00096 -0.00125 46 4 C 1S 0.06253 -0.07875 -0.09039 -0.01343 -0.09193 47 2S -0.12139 0.15560 0.17807 0.02671 0.18992 48 2PX 0.00937 0.06892 -0.01551 -0.08030 -0.09357 49 2PY -0.04314 -0.04596 0.03215 0.06049 0.00617 50 2PZ -0.00157 0.00829 -0.00041 -0.00921 -0.01572 51 3S -0.08625 0.11628 0.13649 0.03172 0.13945 52 3PX 0.00351 0.00622 -0.00696 -0.01282 -0.05089 53 3PY -0.00670 -0.01523 -0.00017 0.00879 -0.01783 54 3PZ 0.00009 -0.00012 -0.00113 -0.00149 -0.00993 55 4XX 0.00203 0.00731 -0.00149 -0.00602 -0.00532 56 4YY -0.00453 -0.00545 0.00378 0.00663 0.00158 57 4ZZ 0.00640 -0.00721 -0.00861 -0.00131 -0.00719 58 4XY 0.00053 0.00016 -0.00098 -0.00160 0.00477 59 4XZ -0.00086 0.00294 0.00138 -0.00106 0.00075 60 4YZ -0.00085 0.00023 0.00091 0.00039 0.00158 61 5 C 1S 0.08411 0.04100 -0.07632 -0.08361 0.01017 62 2S -0.16355 -0.08087 0.15071 0.16858 -0.02108 63 2PX -0.03213 -0.02679 0.00092 -0.01613 -0.03189 64 2PY 0.00853 -0.09599 -0.05524 0.00282 -0.19076 65 2PZ -0.00476 -0.01149 -0.00395 -0.00260 -0.01941 66 3S -0.11126 -0.05938 0.11085 0.13052 -0.01629 67 3PX 0.00078 -0.00015 -0.00883 -0.02275 -0.00309 68 3PY -0.00131 -0.01720 -0.00665 0.00366 -0.04632 69 3PZ 0.00006 -0.00122 -0.00207 -0.00353 -0.00400 70 4XX -0.00122 -0.00343 -0.00120 0.00013 -0.00327 71 4YY -0.00216 0.00263 0.00312 -0.00000 0.00385 72 4ZZ 0.00844 0.00360 -0.00726 -0.00709 0.00052 73 4XY 0.00010 -0.00847 -0.00444 -0.00026 -0.00793 74 4XZ -0.00194 -0.00206 0.00088 0.00144 -0.00139 75 4YZ -0.00091 -0.00154 0.00014 0.00058 -0.00107 76 6 C 1S 0.05983 0.12024 0.01582 -0.01252 0.08324 77 2S -0.11566 -0.23719 -0.03146 0.02497 -0.17178 78 2PX 0.02718 -0.02487 -0.08129 -0.09660 0.11867 79 2PY 0.03508 0.01253 -0.02317 -0.02113 -0.01943 80 2PZ 0.00704 -0.00325 -0.01554 -0.01786 0.01829 81 3S -0.08642 -0.17824 -0.02187 0.02895 -0.13074 82 3PX 0.00180 -0.00121 -0.01207 -0.01797 0.04428 83 3PY 0.00504 -0.00969 -0.00623 -0.00478 -0.03084 84 3PZ 0.00066 -0.00097 -0.00239 -0.00359 0.00521 85 4XX 0.00079 -0.00275 -0.00417 -0.00296 0.00731 86 4YY -0.00314 -0.00023 0.00379 0.00345 -0.00421 87 4ZZ 0.00612 0.01131 0.00148 -0.00098 0.00665 88 4XY -0.00296 0.00120 0.00633 0.00645 -0.00124 89 4XZ -0.00132 -0.00273 -0.00065 0.00008 0.00000 90 4YZ -0.00130 -0.00081 0.00126 0.00147 -0.00111 91 7 C 1S -0.00630 0.08043 0.09117 0.06287 -0.08873 92 2S 0.01209 -0.15822 -0.17954 -0.12506 0.18153 93 2PX 0.05941 0.06698 -0.01089 0.00752 0.10903 94 2PY -0.03282 -0.04543 0.03194 0.02219 -0.01604 95 2PZ 0.00704 0.00845 -0.00038 0.00267 0.01600 96 3S 0.01809 -0.12070 -0.13221 -0.10248 0.15184 97 3PX 0.00517 0.00329 -0.00694 -0.00115 0.05706 98 3PY -0.00677 -0.01136 -0.00334 -0.00282 0.01199 99 3PZ 0.00015 0.00007 -0.00219 0.00019 0.00974 100 4XX -0.00355 -0.00747 0.00146 0.00338 -0.00533 101 4YY 0.00447 0.00559 -0.00371 -0.00308 0.00197 102 4ZZ -0.00064 0.00733 0.00859 0.00569 -0.00706 103 4XY -0.00219 -0.00001 0.00093 -0.00202 0.00421 104 4XZ -0.00084 -0.00291 -0.00149 -0.00065 0.00058 105 4YZ 0.00007 -0.00024 -0.00079 -0.00112 0.00156 106 8 H 1S 0.01038 -0.04868 -0.05338 -0.03530 0.09844 107 2S 0.00441 -0.00915 -0.00859 -0.00648 0.03173 108 9 H 1S -0.02870 -0.07206 -0.00955 0.01243 -0.09086 109 2S -0.00545 -0.01345 -0.00144 0.00407 -0.03066 110 10 H 1S -0.04102 -0.02448 0.04598 0.06590 -0.01133 111 2S -0.00600 -0.00452 0.00825 0.01464 -0.00351 112 11 H 1S -0.03017 0.04742 0.05477 0.01294 0.09999 113 2S -0.00535 0.00839 0.01110 0.00365 0.03377 114 12 H 1S 0.00680 0.07345 0.00747 -0.03583 -0.08916 115 2S 0.00513 0.01356 0.00163 -0.00407 -0.02990 116 13 C 1S -0.09280 0.04035 -0.07632 -0.01359 -0.02286 117 2S 0.17738 -0.07791 0.14782 0.02634 0.04568 118 2PX -0.00898 -0.03126 0.06881 -0.11473 -0.02216 119 2PY -0.03000 0.00028 -0.00360 -0.04451 0.00236 120 2PZ 0.03539 -0.00538 0.00988 0.03578 -0.00391 121 3S 0.11121 -0.05126 0.09689 0.02207 0.03372 122 3PX -0.00065 -0.00291 0.00717 -0.02245 -0.01105 123 3PY -0.00268 -0.00133 -0.00040 -0.00929 0.00347 124 3PZ -0.00056 0.00339 -0.00595 0.00636 -0.00892 125 4XX 0.00587 -0.00345 0.00644 -0.00620 -0.00090 126 4YY -0.01023 0.00538 -0.00978 0.00120 -0.00325 127 4ZZ 0.00210 -0.00001 -0.00003 0.00399 0.00138 128 4XY 0.00595 -0.00088 0.00231 0.00412 -0.00006 129 4XZ -0.00085 -0.00207 0.00425 -0.00663 0.00014 130 4YZ -0.00806 0.00214 -0.00431 -0.00498 -0.00129 131 14 C 1S -0.06830 0.05902 -0.11936 0.10841 0.01541 132 2S 0.13015 -0.11318 0.22874 -0.21097 -0.03109 133 2PX -0.03589 0.01541 -0.02913 -0.02454 -0.02183 134 2PY -0.00600 0.00140 -0.00331 -0.00833 0.00021 135 2PZ -0.00160 0.00258 -0.00518 0.00607 -0.00415 136 3S 0.11082 -0.10451 0.21260 -0.20421 -0.02605 137 3PX -0.00683 0.00291 -0.00578 -0.01267 -0.01064 138 3PY -0.00259 0.00135 -0.00265 -0.00101 0.00051 139 3PZ 0.00096 -0.00011 0.00045 0.00126 -0.00148 140 4XX 0.00336 -0.00086 0.00148 0.00410 0.00221 141 4YY -0.00143 0.00056 -0.00107 -0.00123 -0.00100 142 4ZZ -0.00093 0.00022 -0.00042 -0.00144 -0.00079 143 4XY 0.00079 -0.00017 0.00035 0.00095 0.00020 144 4XZ 0.00035 -0.00014 0.00028 0.00045 0.00062 145 4YZ -0.00005 0.00016 -0.00034 0.00062 0.00007 146 15 H 1S 0.03458 -0.03513 0.07136 -0.08215 -0.01512 147 2S 0.00626 -0.00812 0.01685 -0.02466 -0.00635 148 16 H 1S 0.03811 -0.03529 0.07155 -0.07332 -0.01515 149 2S 0.00812 -0.00773 0.01563 -0.01909 -0.00636 150 17 H 1S 0.03611 -0.03425 0.07001 -0.07398 -0.01595 151 2S 0.00549 -0.00675 0.01391 -0.01911 -0.00620 152 18 H 1S 0.04739 -0.02191 0.03961 0.00724 0.02459 153 2S 0.00948 -0.00456 0.00814 0.00059 0.00815 154 19 H 1S 0.06917 -0.00208 0.00284 0.08381 0.00077 155 2S 0.01035 -0.00162 0.00210 0.02072 -0.00094 156 20 H 1S 0.06746 0.00708 0.00446 0.08351 -0.03278 157 2S 0.01043 0.00369 0.00241 0.01850 -0.01586 16 17 18 19 20 O O O O O Eigenvalues -- -0.58339 -0.54830 -0.50543 -0.45529 -0.45197 1 1 C 1S 0.02086 0.06111 -0.02777 0.00670 0.00132 2 2S -0.04182 -0.12526 0.05551 -0.01310 -0.00388 3 2PX -0.12074 0.03683 0.11241 0.16726 0.06566 4 2PY 0.00208 0.07803 -0.03128 0.09352 -0.18849 5 2PZ 0.02788 -0.14563 0.05911 0.08415 -0.03028 6 3S -0.06486 -0.13629 0.08455 -0.03683 -0.00738 7 3PX -0.03267 0.01456 0.04509 0.09006 0.01099 8 3PY -0.00039 0.03288 -0.01521 0.06257 -0.10361 9 3PZ 0.00955 -0.05581 0.02412 0.04285 -0.02087 10 4XX 0.00750 0.00523 -0.00512 -0.00352 -0.00349 11 4YY -0.00220 -0.00263 0.00171 -0.00127 0.00854 12 4ZZ -0.00366 0.00075 0.00338 0.00559 -0.00326 13 4XY -0.00499 0.00392 0.00171 0.00343 0.00370 14 4XZ 0.00446 -0.00723 -0.00022 -0.00182 -0.00118 15 4YZ 0.00176 -0.00815 0.00227 0.00123 0.00182 16 2 C 1S -0.09558 -0.02515 0.01832 0.04407 0.03918 17 2S 0.20141 0.05244 -0.04042 -0.09317 -0.08199 18 2PX -0.00456 -0.09205 -0.11143 -0.07445 -0.08213 19 2PY 0.02607 0.01002 0.02137 0.12002 -0.16865 20 2PZ 0.01133 -0.05292 -0.00390 0.01786 -0.03478 21 3S 0.14692 0.04301 -0.04481 -0.11019 -0.12101 22 3PX 0.03571 -0.01006 -0.04777 -0.00138 -0.01189 23 3PY -0.00035 -0.00320 0.00968 -0.01267 -0.00829 24 3PZ 0.00998 -0.01619 -0.00177 0.01072 -0.00669 25 4XX -0.00598 -0.00325 0.00796 -0.00271 -0.00289 26 4YY -0.00362 -0.00121 -0.00594 0.00905 0.00871 27 4ZZ -0.00693 -0.00246 0.00093 0.00328 0.00222 28 4XY -0.00154 0.00456 -0.00408 0.00630 -0.00182 29 4XZ 0.00112 -0.00336 0.00217 0.00057 -0.00158 30 4YZ 0.00006 0.00073 -0.00118 0.00165 0.00031 31 3 C 1S 0.04826 -0.01316 0.01794 -0.05162 -0.01611 32 2S -0.10096 0.02635 -0.03665 0.10814 0.02834 33 2PX 0.13176 0.04786 -0.09584 -0.06978 0.18685 34 2PY 0.10940 0.07134 0.16572 -0.12263 -0.02858 35 2PZ 0.03275 0.00334 0.00019 -0.01224 0.02620 36 3S -0.06769 0.03092 -0.05798 0.12293 0.07819 37 3PX 0.02358 0.00341 -0.02655 -0.04933 0.09161 38 3PY 0.05232 0.02197 0.05968 -0.04051 0.01545 39 3PZ 0.00884 -0.00224 0.00198 -0.00703 0.01502 40 4XX -0.00160 -0.00436 0.00054 -0.00995 -0.00541 41 4YY 0.00327 0.00313 -0.00358 0.00699 0.00575 42 4ZZ 0.00364 -0.00152 0.00103 -0.00378 -0.00229 43 4XY 0.00766 0.00218 -0.00214 -0.00912 -0.00321 44 4XZ -0.00021 -0.00127 0.00002 -0.00154 -0.00101 45 4YZ 0.00145 0.00004 -0.00047 -0.00017 -0.00005 46 4 C 1S 0.04077 0.03443 -0.01065 0.04576 0.02507 47 2S -0.08379 -0.07125 0.02194 -0.09417 -0.05115 48 2PX -0.09579 0.03828 0.12603 0.15680 -0.10553 49 2PY 0.14569 0.06763 0.12392 0.01333 0.17946 50 2PZ -0.00487 0.00874 0.03194 0.03145 -0.00604 51 3S -0.07597 -0.07407 0.01500 -0.13301 -0.06854 52 3PX -0.02120 0.01262 0.04506 0.04099 -0.02578 53 3PY 0.04935 0.03149 0.03825 0.01165 0.03795 54 3PZ 0.00014 0.00382 0.01089 0.00935 -0.00219 55 4XX -0.00473 0.00074 -0.00325 0.00405 -0.00241 56 4YY 0.00626 0.00017 -0.00177 -0.00188 0.00369 57 4ZZ 0.00305 0.00240 -0.00125 0.00333 0.00170 58 4XY -0.00284 -0.00211 0.00364 -0.01248 -0.00768 59 4XZ -0.00171 -0.00081 -0.00001 -0.00058 -0.00153 60 4YZ -0.00024 -0.00060 0.00058 -0.00251 -0.00120 61 5 C 1S -0.08530 -0.02291 0.02248 -0.04303 -0.03183 62 2S 0.17651 0.04753 -0.04643 0.08767 0.06539 63 2PX -0.05991 0.01482 0.22853 -0.07445 -0.07103 64 2PY -0.01713 0.03239 -0.05501 0.12167 -0.17709 65 2PZ -0.01113 0.00340 0.03554 -0.00106 -0.02591 66 3S 0.13619 0.03417 -0.05634 0.12151 0.09242 67 3PX -0.04500 -0.00079 0.07914 -0.01518 -0.02282 68 3PY 0.00232 0.01137 -0.01856 0.04745 -0.07129 69 3PZ -0.00725 -0.00036 0.01258 0.00243 -0.00959 70 4XX 0.00246 0.00214 -0.00279 0.00842 0.00442 71 4YY -0.00668 -0.00433 -0.00023 -0.01088 -0.00682 72 4ZZ -0.00659 -0.00187 0.00122 -0.00322 -0.00247 73 4XY -0.00381 -0.00056 0.00061 -0.00366 -0.00521 74 4XZ 0.00157 0.00057 -0.00069 0.00227 0.00090 75 4YZ -0.00064 -0.00030 -0.00003 -0.00127 -0.00122 76 6 C 1S 0.06438 0.01506 -0.00947 0.04013 0.03307 77 2S -0.13278 -0.03084 0.01925 -0.08195 -0.06825 78 2PX -0.10710 -0.04903 0.07400 -0.07571 0.22710 79 2PY -0.10019 -0.06799 -0.16640 -0.10808 -0.06583 80 2PZ -0.02457 -0.01683 0.00221 -0.01629 0.03195 81 3S -0.11366 -0.04030 0.01402 -0.11829 -0.08701 82 3PX -0.02500 -0.01725 0.02988 -0.01898 0.06852 83 3PY -0.04660 -0.02262 -0.05494 -0.02114 -0.02681 84 3PZ -0.00756 -0.00456 0.00145 -0.00343 0.00896 85 4XX 0.00121 -0.00081 -0.00498 0.00740 0.00925 86 4YY 0.00114 0.00065 0.00023 -0.00571 -0.00878 87 4ZZ 0.00517 0.00104 -0.00136 0.00348 0.00271 88 4XY 0.00647 0.00183 -0.00183 0.00785 0.00388 89 4XZ -0.00023 -0.00050 -0.00074 0.00161 0.00151 90 4YZ 0.00071 0.00041 -0.00026 0.00039 -0.00022 91 7 C 1S 0.02179 0.01727 0.01589 -0.03530 -0.04371 92 2S -0.04594 -0.03775 -0.03191 0.06919 0.09305 93 2PX 0.10548 0.00889 -0.15530 0.13805 -0.10877 94 2PY -0.15784 -0.09127 -0.10735 0.00481 0.18325 95 2PZ 0.00979 -0.01797 -0.02850 0.03379 -0.00882 96 3S -0.02639 -0.02115 -0.05669 0.13445 0.08557 97 3PX 0.01453 -0.01016 -0.04707 0.04594 -0.04564 98 3PY -0.05135 -0.03349 -0.04186 -0.02825 0.07391 99 3PZ 0.00054 -0.01274 -0.00768 0.01225 -0.00416 100 4XX -0.00737 -0.00262 0.00095 -0.00271 0.00089 101 4YY 0.00838 0.00276 -0.00410 0.00177 -0.00462 102 4ZZ 0.00120 0.00096 0.00086 -0.00306 -0.00248 103 4XY -0.00148 -0.00001 0.00001 0.01005 0.01098 104 4XZ -0.00154 -0.00158 0.00030 0.00116 0.00142 105 4YZ 0.00007 0.00111 -0.00076 0.00150 0.00196 106 8 H 1S -0.03935 -0.04365 -0.11005 0.09644 0.08156 107 2S -0.01623 -0.01856 -0.06708 0.07556 0.05468 108 9 H 1S -0.08142 -0.03696 -0.08405 -0.08973 -0.11217 109 2S -0.03142 -0.01935 -0.05682 -0.06433 -0.08025 110 10 H 1S 0.09575 0.01676 -0.14409 0.10301 0.05463 111 2S 0.03433 0.00597 -0.09180 0.07361 0.03659 112 11 H 1S -0.05377 -0.06664 -0.08201 -0.11689 -0.06446 113 2S -0.02163 -0.03233 -0.05613 -0.08102 -0.04849 114 12 H 1S -0.06907 -0.01537 -0.11285 0.10976 0.07032 115 2S -0.02692 -0.01232 -0.06890 0.07732 0.05999 116 13 C 1S 0.06395 -0.12392 0.00855 -0.01126 -0.00408 117 2S -0.12844 0.25215 -0.01579 0.02527 0.00743 118 2PX 0.04112 -0.03512 0.01042 0.03622 0.03969 119 2PY 0.02593 0.01996 -0.03612 -0.02557 -0.02778 120 2PZ 0.00079 -0.12482 0.08045 0.14707 -0.02624 121 3S -0.10914 0.22487 -0.02487 0.00810 0.02387 122 3PX 0.01305 -0.01673 0.00690 0.00281 0.02357 123 3PY 0.00561 0.00648 -0.01068 -0.00257 -0.01311 124 3PZ 0.00699 -0.04622 0.01933 0.03713 0.00481 125 4XX 0.00483 -0.00393 -0.00211 -0.00245 -0.00190 126 4YY 0.00601 -0.01572 0.00270 -0.00141 0.00294 127 4ZZ -0.00421 0.00732 -0.00073 -0.00111 -0.00111 128 4XY -0.00246 0.00174 0.00050 -0.00134 0.00009 129 4XZ -0.00045 0.00710 -0.00205 -0.00061 0.00169 130 4YZ 0.00587 -0.00646 -0.00127 -0.00102 -0.00162 131 14 C 1S -0.04428 0.04938 0.00280 0.00615 0.00268 132 2S 0.08861 -0.09981 -0.00561 -0.01296 -0.00375 133 2PX 0.07479 -0.13767 -0.01355 -0.09294 -0.02486 134 2PY 0.01143 0.00175 -0.02129 -0.03087 -0.03669 135 2PZ 0.01106 -0.07020 0.03928 0.11063 -0.03082 136 3S 0.09063 -0.09952 -0.00811 -0.00604 -0.02116 137 3PX 0.03053 -0.05440 -0.00760 -0.04663 -0.00523 138 3PY 0.00429 0.00289 -0.01073 -0.01536 -0.01794 139 3PZ 0.00268 -0.02812 0.02022 0.05285 -0.01307 140 4XX -0.00644 0.01070 0.00049 0.00339 0.00103 141 4YY 0.00290 -0.00483 -0.00075 -0.00519 0.00101 142 4ZZ 0.00269 -0.00524 0.00025 0.00105 -0.00231 143 4XY -0.00112 0.00111 0.00026 -0.00016 -0.00003 144 4XZ -0.00201 0.00571 -0.00107 0.00038 0.00104 145 4YZ -0.00042 -0.00066 0.00138 0.00394 0.00024 146 15 H 1S 0.05082 -0.05159 -0.02450 -0.07734 -0.01343 147 2S 0.02088 -0.02458 -0.01331 -0.05339 -0.00767 148 16 H 1S 0.04616 -0.08566 0.01443 0.04353 -0.02697 149 2S 0.01910 -0.04562 0.01022 0.03410 -0.01912 150 17 H 1S 0.04420 -0.06556 0.00027 -0.02673 0.01263 151 2S 0.01776 -0.03282 0.00163 -0.01867 0.01171 152 18 H 1S -0.05800 0.17671 -0.05355 -0.07515 0.00784 153 2S -0.02487 0.09407 -0.03864 -0.06390 0.01327 154 19 H 1S -0.01664 -0.10553 0.06388 0.07591 -0.03264 155 2S -0.00621 -0.05593 0.03560 0.05669 -0.01796 156 20 H 1S -0.02602 -0.07935 0.04129 -0.04448 0.11340 157 2S -0.01209 -0.03835 0.01429 -0.01634 0.08264 21 22 23 24 25 O O O O O Eigenvalues -- -0.42728 -0.41405 -0.41189 -0.40234 -0.38324 1 1 C 1S 0.02079 0.00245 0.00585 0.00191 -0.01628 2 2S -0.03992 -0.01097 -0.01715 -0.00278 0.03386 3 2PX 0.11609 -0.02614 0.00788 -0.07957 0.11814 4 2PY 0.03877 0.03771 -0.02277 0.16409 -0.16089 5 2PZ -0.01076 0.20795 0.20789 -0.05906 -0.09312 6 3S -0.09411 0.01751 -0.00566 0.00977 0.04520 7 3PX 0.07899 -0.02312 0.00433 -0.05278 0.06401 8 3PY 0.00857 0.01345 0.00114 0.07229 -0.07578 9 3PZ -0.00046 0.08871 0.09635 -0.03272 -0.04736 10 4XX 0.00615 -0.00041 -0.00212 0.00573 -0.01070 11 4YY -0.00262 -0.00497 -0.00094 -0.00771 0.01244 12 4ZZ -0.00045 0.00710 0.00628 -0.00130 -0.00256 13 4XY 0.00675 0.00314 -0.00063 0.00523 -0.00171 14 4XZ -0.00234 0.00375 0.00228 0.00194 -0.00059 15 4YZ -0.00009 0.00465 0.00498 -0.00335 -0.00167 16 2 C 1S -0.03827 0.00069 -0.00427 -0.00011 0.01264 17 2S 0.08240 -0.00044 0.01024 0.00131 -0.02879 18 2PX -0.17496 -0.04221 -0.06238 0.12102 -0.11502 19 2PY -0.05669 -0.11873 0.06926 -0.07898 0.06218 20 2PZ -0.03474 0.07426 0.08829 -0.01737 -0.09850 21 3S 0.12990 -0.01339 0.01149 -0.02529 -0.01699 22 3PX -0.01165 -0.01998 -0.03507 0.02227 -0.02862 23 3PY -0.02474 0.00900 -0.02608 -0.02906 0.01802 24 3PZ -0.00191 0.04175 0.03983 -0.01704 -0.04895 25 4XX -0.00280 0.00209 -0.00511 0.00138 0.00217 26 4YY -0.00227 -0.00395 0.00345 -0.00189 0.00098 27 4ZZ -0.00249 0.00180 0.00088 -0.00001 0.00015 28 4XY 0.00355 0.00984 -0.00781 0.00218 -0.00414 29 4XZ -0.00003 0.00449 0.00183 -0.00051 -0.00055 30 4YZ 0.00088 0.00092 -0.00121 -0.00001 -0.00087 31 3 C 1S 0.00278 -0.01850 0.01343 0.00498 -0.00702 32 2S -0.00540 0.04078 -0.02980 -0.01247 0.01752 33 2PX 0.12020 -0.02842 0.07331 0.12034 -0.10730 34 2PY 0.15706 0.16695 -0.13100 -0.10951 0.10821 35 2PZ 0.03208 0.05150 0.04906 -0.00516 -0.06404 36 3S 0.02204 0.07871 -0.06320 -0.02440 0.02114 37 3PX 0.00884 0.01242 -0.00630 0.05371 -0.04933 38 3PY 0.05534 0.05730 -0.05351 -0.03663 0.03621 39 3PZ 0.00557 0.03087 0.02026 -0.00193 -0.03627 40 4XX -0.00136 0.00205 -0.00464 -0.00050 0.00019 41 4YY -0.00021 -0.00764 0.00803 0.00463 -0.00425 42 4ZZ 0.00053 -0.00006 0.00128 -0.00023 -0.00056 43 4XY 0.01143 -0.00066 0.00277 -0.00323 0.00412 44 4XZ 0.00046 0.00189 0.00057 -0.00071 -0.00027 45 4YZ 0.00189 0.00158 0.00346 -0.00100 -0.00214 46 4 C 1S -0.00427 -0.01219 0.01642 0.00076 0.00605 47 2S 0.00713 0.02924 -0.03841 -0.00156 -0.01330 48 2PX -0.13872 0.09009 -0.14957 -0.10547 0.11220 49 2PY -0.05974 0.15498 -0.16041 0.08729 -0.11023 50 2PZ -0.02765 0.05114 -0.01120 -0.02211 -0.02818 51 3S -0.00444 0.05028 -0.06467 0.00264 -0.02915 52 3PX -0.06957 0.01298 -0.04044 -0.01955 0.02622 53 3PY 0.00074 0.05626 -0.05280 0.01729 -0.02890 54 3PZ -0.01159 0.01771 0.00174 -0.00783 -0.01848 55 4XX 0.00476 0.00103 0.00000 -0.00637 0.00870 56 4YY -0.00291 -0.00635 0.00549 0.00698 -0.00758 57 4ZZ -0.00032 0.00018 0.00105 -0.00025 -0.00020 58 4XY 0.00703 -0.00526 0.00598 -0.00052 0.00039 59 4XZ 0.00160 0.00115 0.00178 -0.00186 0.00008 60 4YZ 0.00103 -0.00089 0.00206 0.00022 -0.00165 61 5 C 1S 0.02523 0.00008 0.00518 -0.00753 0.00817 62 2S -0.05503 -0.00009 -0.01177 0.01884 -0.02255 63 2PX -0.17385 -0.03119 -0.04357 0.11986 -0.16709 64 2PY -0.05641 -0.12004 0.08326 -0.09177 0.10072 65 2PZ -0.03303 0.00485 0.01921 0.00461 -0.05566 66 3S -0.08776 -0.00059 -0.01907 0.02927 -0.02267 67 3PX -0.05447 -0.00607 -0.01976 0.03001 -0.03788 68 3PY -0.01870 -0.01158 -0.00346 -0.04041 0.03546 69 3PZ -0.01033 0.00867 0.00774 -0.00270 -0.02347 70 4XX 0.00191 -0.00349 0.00490 -0.00530 0.01174 71 4YY 0.00348 0.00357 -0.00381 0.00185 -0.00599 72 4ZZ 0.00140 0.00005 0.00081 -0.00016 -0.00060 73 4XY -0.00149 -0.00917 0.00817 0.00389 -0.00399 74 4XZ 0.00004 -0.00024 0.00272 -0.00127 0.00035 75 4YZ -0.00006 -0.00150 0.00080 0.00089 -0.00079 76 6 C 1S -0.00491 0.01283 -0.01294 -0.01537 0.01419 77 2S 0.00759 -0.03042 0.03032 0.03341 -0.02927 78 2PX 0.05736 -0.02719 0.07455 0.07327 0.03453 79 2PY 0.18593 0.18425 -0.14259 -0.07090 0.02447 80 2PZ 0.02421 0.03311 0.02894 -0.00423 -0.03224 81 3S -0.00008 -0.04637 0.04854 0.06887 -0.06956 82 3PX -0.00450 0.00855 0.00024 0.04241 -0.00939 83 3PY 0.05158 0.05904 -0.04675 -0.01968 0.01275 84 3PZ 0.00336 0.01716 0.00944 0.00021 -0.02166 85 4XX -0.00023 -0.00334 0.00383 -0.00215 0.00649 86 4YY 0.00306 0.00841 -0.00868 -0.00081 -0.00544 87 4ZZ -0.00101 0.00037 -0.00013 -0.00082 0.00085 88 4XY -0.01023 -0.00023 -0.00271 0.00269 -0.00368 89 4XZ -0.00057 0.00027 0.00170 -0.00049 -0.00026 90 4YZ -0.00142 -0.00041 -0.00231 0.00093 0.00050 91 7 C 1S 0.00931 0.01775 -0.01602 0.01183 -0.01862 92 2S -0.01769 -0.03880 0.03628 -0.02407 0.03972 93 2PX -0.07910 0.07836 -0.15346 -0.07892 -0.01674 94 2PY -0.06531 0.14246 -0.15533 0.06604 -0.05457 95 2PZ -0.01599 0.06740 0.01082 -0.02760 -0.06200 96 3S -0.01029 -0.08316 0.07483 -0.04833 0.07150 97 3PX -0.05753 0.01061 -0.04168 -0.00032 -0.02698 98 3PY -0.00962 0.06093 -0.06502 0.00801 -0.01233 99 3PZ -0.00868 0.03043 0.01441 -0.01041 -0.03755 100 4XX -0.00612 -0.00120 -0.00021 0.00644 -0.00508 101 4YY 0.00597 0.00617 -0.00504 -0.00562 0.00129 102 4ZZ 0.00057 0.00085 -0.00081 0.00108 -0.00079 103 4XY -0.00693 0.00416 -0.00536 -0.00175 0.00034 104 4XZ -0.00178 0.00024 0.00006 0.00083 -0.00041 105 4YZ -0.00070 -0.00149 -0.00400 0.00007 0.00280 106 8 H 1S -0.07281 0.08711 -0.11609 -0.01577 -0.01916 107 2S -0.05288 0.08905 -0.10485 -0.00656 -0.01831 108 9 H 1S 0.10390 0.10211 -0.08572 -0.04007 -0.01013 109 2S 0.08928 0.09712 -0.08417 -0.04290 -0.00655 110 10 H 1S 0.06964 0.00230 0.03034 -0.08002 0.12151 111 2S 0.06880 0.00169 0.02943 -0.07891 0.12516 112 11 H 1S 0.09045 -0.10142 0.12012 0.00427 0.00107 113 2S 0.07720 -0.09739 0.11571 0.00417 0.00298 114 12 H 1S -0.07478 -0.08803 0.07821 0.08131 -0.07708 115 2S -0.06232 -0.08917 0.07615 0.06956 -0.06555 116 13 C 1S -0.02493 -0.00747 -0.00965 -0.00790 0.01197 117 2S 0.05624 0.01631 0.02175 0.01744 -0.02558 118 2PX 0.07861 0.10781 0.14908 -0.07864 -0.09874 119 2PY -0.04543 0.09877 0.07748 0.05715 -0.00540 120 2PZ 0.15392 -0.04461 -0.04874 0.06311 -0.00263 121 3S 0.04574 0.01479 0.01330 0.01449 -0.03275 122 3PX 0.02184 0.04629 0.05378 -0.02860 -0.03058 123 3PY -0.01495 0.04215 0.02896 0.02807 0.00365 124 3PZ 0.04962 -0.00828 -0.02237 0.03317 -0.00445 125 4XX -0.00039 -0.00023 -0.00023 0.00082 -0.00469 126 4YY -0.00253 -0.00420 -0.00318 -0.00408 0.00647 127 4ZZ -0.00352 0.00452 0.00302 0.00263 0.00077 128 4XY -0.00118 0.00044 -0.00020 0.00628 0.00971 129 4XZ 0.00299 0.00027 0.00046 0.00296 -0.00014 130 4YZ -0.00079 0.00104 0.00011 0.00193 -0.00181 131 14 C 1S 0.00294 0.00220 0.00186 -0.00053 0.00470 132 2S -0.00496 -0.00186 -0.00119 -0.00015 -0.01003 133 2PX -0.16413 -0.09846 -0.12522 -0.02175 0.08827 134 2PY -0.08550 0.16677 0.11427 0.23583 0.28397 135 2PZ 0.16631 -0.09331 -0.13206 0.22615 0.03980 136 3S 0.00005 -0.01834 -0.00873 0.00405 -0.02279 137 3PX -0.07496 -0.04310 -0.05802 -0.01059 0.04206 138 3PY -0.03994 0.07712 0.05223 0.11472 0.13745 139 3PZ 0.07985 -0.04526 -0.06196 0.10632 0.02317 140 4XX 0.00463 0.00349 0.00530 -0.00353 -0.00438 141 4YY -0.00753 -0.00490 -0.00367 -0.01132 -0.00325 142 4ZZ 0.00106 -0.00043 -0.00381 0.01480 0.01012 143 4XY -0.00175 0.00550 0.00455 0.00644 0.01170 144 4XZ 0.00358 -0.00003 0.00015 0.00218 -0.00290 145 4YZ 0.00753 -0.00664 -0.00622 0.00021 -0.00723 146 15 H 1S -0.13974 0.07486 0.05881 0.01745 0.13834 147 2S -0.10771 0.06226 0.04984 0.01276 0.12256 148 16 H 1S 0.06539 -0.04135 -0.07481 0.16891 0.07079 149 2S 0.04951 -0.02424 -0.05429 0.13973 0.06016 150 17 H 1S -0.02240 -0.10761 -0.08340 -0.15767 -0.14000 151 2S -0.01815 -0.08724 -0.06723 -0.13517 -0.11648 152 18 H 1S -0.07860 0.02601 0.01919 -0.00361 0.00855 153 2S -0.07058 0.02601 0.01227 0.00211 0.01278 154 19 H 1S -0.00201 0.11964 0.11031 -0.02153 -0.04365 155 2S 0.00429 0.09951 0.08420 -0.00534 -0.04109 156 20 H 1S -0.03631 -0.04258 0.00188 -0.10487 0.13012 157 2S -0.02766 -0.04578 0.00645 -0.09099 0.10013 26 27 28 29 30 O O O O O Eigenvalues -- -0.36726 -0.35496 -0.34118 -0.33222 -0.32630 1 1 C 1S -0.01785 0.00990 0.01461 0.01287 0.01223 2 2S 0.04182 -0.02144 -0.03421 -0.02760 -0.02310 3 2PX 0.07023 -0.05157 -0.07440 0.05842 0.27862 4 2PY 0.24685 -0.10290 -0.06000 -0.12199 0.02701 5 2PZ 0.06621 0.02866 0.22513 0.05598 0.05092 6 3S 0.05190 -0.03895 -0.06017 -0.07936 -0.11121 7 3PX 0.00835 -0.03684 -0.04033 0.04338 0.15326 8 3PY 0.09747 -0.05491 -0.03620 -0.05277 0.00271 9 3PZ 0.02867 0.00837 0.11306 0.03224 0.02212 10 4XX -0.00538 -0.00298 -0.00514 -0.00772 -0.01054 11 4YY -0.01236 0.00421 -0.00133 0.00939 0.00207 12 4ZZ 0.01473 0.00143 0.01120 0.00193 0.01101 13 4XY 0.00484 -0.00280 -0.00207 -0.00757 0.00645 14 4XZ 0.00145 -0.00318 0.00931 0.00014 -0.00151 15 4YZ -0.00183 -0.00007 0.00405 0.00090 -0.00031 16 2 C 1S 0.01421 0.00480 0.00243 0.00240 0.00968 17 2S -0.03707 -0.01311 -0.00739 -0.00436 -0.02020 18 2PX -0.03301 -0.03397 -0.00512 -0.04526 -0.27222 19 2PY -0.00975 -0.02929 -0.05524 0.27357 -0.04041 20 2PZ -0.00303 0.15189 -0.06806 0.01247 -0.04702 21 3S -0.00544 -0.00822 -0.00231 -0.01885 -0.05822 22 3PX -0.02686 -0.02427 0.00059 0.02113 -0.00337 23 3PY 0.03285 -0.00128 -0.01313 0.08071 -0.01965 24 3PZ -0.00796 0.08144 -0.04443 0.00771 -0.00504 25 4XX 0.00710 0.00219 -0.00322 -0.01042 -0.01089 26 4YY -0.00602 -0.00101 -0.00105 0.00914 0.00782 27 4ZZ 0.00128 -0.00114 0.00407 0.00050 0.00101 28 4XY 0.00354 -0.00185 0.00095 -0.01008 0.01212 29 4XZ 0.00162 -0.00645 0.01062 -0.00125 -0.00238 30 4YZ -0.00046 0.00034 -0.00243 -0.00132 0.00237 31 3 C 1S -0.02239 0.00160 -0.00011 0.00960 -0.00863 32 2S 0.04642 -0.00247 0.00131 -0.02938 0.01419 33 2PX -0.01142 -0.07438 0.02182 -0.00313 0.23704 34 2PY -0.00564 0.03317 0.06499 -0.20113 0.05949 35 2PZ -0.00125 0.15128 -0.11512 -0.02573 0.05524 36 3S 0.09801 -0.00787 -0.00341 0.00339 0.08221 37 3PX -0.02890 -0.02624 0.01856 -0.02332 0.06892 38 3PY -0.00241 0.00396 0.01824 -0.02761 0.06043 39 3PZ -0.00198 0.09268 -0.06931 -0.01229 0.02456 40 4XX -0.00354 0.00292 0.00060 -0.00892 -0.00851 41 4YY 0.00190 -0.00509 -0.00358 0.01725 0.00921 42 4ZZ -0.00134 0.00061 0.00113 -0.00098 -0.00103 43 4XY -0.00222 0.00126 0.00418 -0.01320 0.00651 44 4XZ -0.00044 -0.00143 0.00506 -0.00192 -0.00149 45 4YZ 0.00004 0.00629 -0.00403 -0.00104 0.00235 46 4 C 1S 0.01367 -0.00035 0.00076 -0.00431 0.00918 47 2S -0.02455 0.00026 -0.00321 0.01477 -0.02472 48 2PX 0.03739 0.01680 0.03071 -0.03613 -0.21220 49 2PY 0.03827 -0.06929 -0.05052 0.21081 -0.01445 50 2PZ 0.00967 0.16035 -0.16059 -0.00734 -0.02035 51 3S -0.08193 0.00449 0.00405 -0.01777 -0.03819 52 3PX -0.01483 0.00265 0.02319 -0.03650 -0.08410 53 3PY 0.01071 -0.02781 -0.01195 0.06199 0.01728 54 3PZ -0.00223 0.09232 -0.09499 -0.01196 -0.00322 55 4XX 0.00397 0.00131 0.00276 -0.00740 -0.00284 56 4YY -0.00503 -0.00278 0.00035 0.00264 0.00841 57 4ZZ 0.00134 0.00189 -0.00158 -0.00016 0.00011 58 4XY -0.00788 0.00053 0.00557 -0.01333 0.01323 59 4XZ -0.00012 0.00477 -0.00213 -0.00276 0.00069 60 4YZ -0.00190 0.00496 -0.00470 -0.00273 0.00357 61 5 C 1S 0.00383 0.00176 0.00060 -0.00031 -0.00274 62 2S -0.01329 -0.00521 -0.00160 0.00311 0.01190 63 2PX -0.17802 -0.05834 0.03323 0.01547 0.14839 64 2PY -0.08111 0.04829 0.08006 -0.22479 0.03357 65 2PZ -0.03621 0.15497 -0.16396 -0.03304 0.04562 66 3S -0.00535 -0.00204 -0.00023 -0.00864 -0.01612 67 3PX -0.04386 -0.02077 0.02111 -0.00337 0.03287 68 3PY -0.04012 0.01319 0.03171 -0.08542 0.01926 69 3PZ -0.01008 0.09151 -0.09820 -0.01846 0.01827 70 4XX 0.01096 0.00204 0.00361 -0.00921 -0.01405 71 4YY -0.00616 -0.00225 -0.00158 0.00741 0.00801 72 4ZZ -0.00043 0.00166 -0.00160 -0.00025 0.00061 73 4XY -0.00661 -0.00031 0.00236 -0.00639 0.00944 74 4XZ 0.00176 0.00706 -0.00574 -0.00302 -0.00158 75 4YZ -0.00164 -0.00186 0.00168 -0.00035 0.00201 76 6 C 1S 0.00019 0.00226 -0.00064 0.00738 0.00268 77 2S -0.00125 -0.00323 0.00368 -0.02402 -0.00722 78 2PX 0.20317 -0.01871 0.01504 -0.03220 -0.19788 79 2PY 0.06037 -0.04447 -0.04341 0.20916 -0.02726 80 2PZ 0.03770 0.15201 -0.16459 -0.00778 -0.02079 81 3S 0.00143 -0.01807 -0.01043 -0.00070 -0.02520 82 3PX 0.06693 -0.02101 0.00438 -0.00506 -0.08672 83 3PY 0.01346 -0.01341 -0.00397 0.04563 -0.01343 84 3PZ 0.01167 0.08838 -0.09861 -0.00814 -0.00653 85 4XX 0.00498 0.00207 0.00205 -0.00872 -0.00523 86 4YY -0.00481 -0.00294 -0.00462 0.01718 0.00662 87 4ZZ -0.00019 0.00021 0.00100 -0.00111 -0.00030 88 4XY -0.00717 0.00231 0.00248 -0.01369 0.00484 89 4XZ 0.00044 0.00242 -0.00022 -0.00251 -0.00078 90 4YZ -0.00157 -0.00642 0.00653 -0.00012 0.00077 91 7 C 1S 0.00155 -0.00430 0.00076 -0.00869 0.00297 92 2S 0.00210 0.00766 -0.00478 0.02209 -0.01410 93 2PX -0.20293 -0.03602 0.02160 0.06800 0.17173 94 2PY -0.01418 0.00876 0.06051 -0.25121 0.00529 95 2PZ -0.03680 0.14805 -0.11954 -0.01793 0.03619 96 3S -0.04540 0.01447 0.00585 0.03385 0.03220 97 3PX -0.06842 -0.02622 0.00227 0.03622 0.02209 98 3PY 0.02475 0.00530 0.02020 -0.09055 -0.03390 99 3PZ -0.01046 0.08356 -0.07560 -0.00852 0.00560 100 4XX 0.00038 0.00145 -0.00031 -0.00954 -0.00482 101 4YY -0.00549 -0.00048 -0.00086 0.00393 0.00987 102 4ZZ 0.00079 -0.00196 0.00213 -0.00014 -0.00069 103 4XY -0.00812 0.00343 0.00373 -0.01371 0.01425 104 4XZ -0.00075 -0.00423 0.00602 -0.00222 -0.00048 105 4YZ -0.00210 -0.00458 0.00268 -0.00199 0.00313 106 8 H 1S -0.10150 0.01066 0.03114 -0.10330 0.10104 107 2S -0.09803 0.01178 0.03999 -0.11659 0.13771 108 9 H 1S -0.00309 -0.02850 -0.03713 0.15658 0.02351 109 2S -0.00105 -0.03024 -0.04262 0.18072 0.02802 110 10 H 1S 0.11056 0.03043 0.00652 -0.04636 -0.11300 111 2S 0.11781 0.03362 0.00772 -0.05247 -0.13039 112 11 H 1S -0.05754 0.01083 0.03348 -0.09936 0.11063 113 2S -0.05694 0.01102 0.03717 -0.11615 0.13016 114 12 H 1S 0.02248 -0.04174 -0.04070 0.14689 0.02526 115 2S 0.00686 -0.04076 -0.04531 0.18577 0.03781 116 13 C 1S 0.00344 -0.00250 0.00944 0.00611 -0.00320 117 2S -0.01004 -0.00012 -0.02400 -0.01447 0.00366 118 2PX -0.23401 -0.09134 0.02849 0.00098 -0.17326 119 2PY -0.01720 0.03802 0.10123 0.01796 -0.04213 120 2PZ -0.02982 -0.18463 -0.21539 -0.09686 0.00277 121 3S 0.01357 0.03091 -0.02060 -0.01645 0.03029 122 3PX -0.06827 -0.02770 0.00367 -0.00433 -0.04701 123 3PY -0.00678 0.00989 0.03743 0.00266 -0.01137 124 3PZ 0.00665 -0.06756 -0.07146 -0.04475 0.01697 125 4XX -0.00438 -0.00802 -0.00548 -0.00489 -0.01008 126 4YY -0.00273 -0.00072 -0.00316 0.00204 0.00229 127 4ZZ 0.01063 0.01232 0.01446 0.00540 0.00856 128 4XY -0.00096 -0.00247 -0.00787 -0.00122 0.00108 129 4XZ -0.00647 0.01099 0.01107 0.00531 -0.00311 130 4YZ -0.00242 -0.00063 0.00128 -0.00090 -0.00451 131 14 C 1S 0.01294 0.00825 0.00436 0.00385 0.01803 132 2S -0.02929 -0.01821 -0.00941 -0.00838 -0.03784 133 2PX 0.25041 0.07648 0.00115 0.01682 0.18129 134 2PY -0.05026 -0.03283 -0.08880 0.00925 0.03827 135 2PZ -0.04980 0.21927 0.14557 0.06558 -0.02485 136 3S -0.06018 -0.03887 -0.01869 -0.01332 -0.09088 137 3PX 0.12909 0.04177 -0.00345 0.00569 0.10098 138 3PY -0.02605 -0.01486 -0.04545 0.00373 0.01597 139 3PZ -0.02725 0.10575 0.06209 0.03201 -0.01050 140 4XX -0.00524 -0.00671 -0.00409 -0.00230 -0.00297 141 4YY 0.00949 -0.00275 -0.00265 -0.00130 0.00547 142 4ZZ 0.00013 0.01225 0.00751 0.00476 0.00203 143 4XY -0.00364 -0.00468 -0.00808 -0.00034 0.00236 144 4XZ -0.00582 0.00864 0.00960 0.00370 -0.00542 145 4YZ -0.00171 0.00718 0.00685 0.00156 -0.00343 146 15 H 1S 0.05802 -0.08902 -0.11072 -0.02173 0.07181 147 2S 0.05509 -0.08004 -0.10466 -0.01873 0.08051 148 16 H 1S -0.02332 0.14422 0.08902 0.04760 -0.00685 149 2S -0.00993 0.13861 0.10181 0.05017 0.00699 150 17 H 1S 0.09853 0.00916 0.03189 -0.01189 0.02043 151 2S 0.08680 0.01249 0.03291 -0.00687 0.02645 152 18 H 1S 0.06390 0.15224 0.15147 0.06521 0.04226 153 2S 0.06795 0.13773 0.16659 0.06549 0.05464 154 19 H 1S 0.11224 -0.01049 0.12035 0.01481 0.07895 155 2S 0.10067 0.01121 0.12928 0.01767 0.08989 156 20 H 1S -0.14021 0.05088 0.00445 0.08613 -0.00492 157 2S -0.13602 0.04752 0.00511 0.10811 0.00573 31 32 33 34 35 O O V V V Eigenvalues -- -0.24333 -0.23607 -0.03516 0.00504 0.00859 1 1 C 1S 0.00012 -0.00103 0.00327 0.00374 0.00177 2 2S -0.00360 0.00398 -0.00847 -0.01199 0.00721 3 2PX -0.00039 0.02139 -0.02084 -0.00597 0.00217 4 2PY -0.00025 0.00621 -0.02900 -0.00279 -0.00040 5 2PZ 0.00497 -0.09382 0.00169 -0.01398 0.00326 6 3S 0.01682 0.01528 -0.02317 -0.04080 -0.09515 7 3PX -0.00091 -0.02015 -0.01240 0.02923 0.05260 8 3PY 0.01656 0.00553 0.04952 0.06169 -0.07689 9 3PZ -0.02449 -0.03601 0.06538 -0.13392 0.03823 10 4XX -0.00055 0.00504 -0.01149 -0.00671 -0.00224 11 4YY -0.00083 0.00088 0.03011 0.00212 -0.00469 12 4ZZ 0.00097 -0.00692 -0.01667 0.00497 0.00841 13 4XY -0.00038 0.00110 0.00930 -0.00072 -0.00248 14 4XZ 0.00083 -0.01551 0.00638 0.01647 0.01434 15 4YZ 0.00137 -0.00106 -0.01011 0.00161 -0.00091 16 2 C 1S 0.00016 0.00000 0.01727 0.00225 -0.00405 17 2S -0.00045 0.00044 -0.02213 -0.00382 0.00194 18 2PX 0.00239 -0.05824 -0.05261 0.04052 0.05664 19 2PY 0.00074 -0.02324 0.00790 0.02077 0.01634 20 2PZ -0.02119 0.32568 -0.00903 -0.27151 -0.25022 21 3S -0.00574 -0.01311 -0.28047 -0.04486 0.11381 22 3PX -0.00882 -0.04880 0.03653 0.05482 0.09811 23 3PY -0.00386 0.00009 -0.06971 -0.02552 0.02414 24 3PZ -0.01243 0.21553 -0.01213 -0.31297 -0.30293 25 4XX -0.00174 0.00191 0.00471 0.00079 0.00366 26 4YY -0.00239 -0.00015 0.00079 -0.00334 0.00247 27 4ZZ 0.00361 -0.00272 -0.00148 0.00235 -0.00516 28 4XY -0.00328 0.00005 0.00154 -0.00296 0.00406 29 4XZ 0.00406 -0.00900 -0.00322 -0.00261 -0.00949 30 4YZ 0.01786 0.00279 -0.00519 0.02095 -0.01942 31 3 C 1S -0.00015 -0.00007 0.00249 0.00058 -0.00083 32 2S 0.00078 -0.00001 -0.00543 -0.00080 0.00038 33 2PX 0.05123 -0.02674 -0.01019 0.01100 -0.05818 34 2PY 0.02289 -0.01142 0.02404 0.00928 -0.03452 35 2PZ -0.29861 0.16340 0.05379 -0.06934 0.34061 36 3S -0.00609 0.00601 -0.00294 -0.01952 0.01524 37 3PX 0.03674 -0.01682 -0.00736 0.00695 -0.08776 38 3PY 0.01172 -0.00885 0.08765 0.01528 -0.04818 39 3PZ -0.21798 0.12847 0.08678 -0.10820 0.44812 40 4XX -0.00254 -0.00394 -0.00166 0.00779 0.00045 41 4YY 0.00019 -0.00086 0.00190 0.00098 0.00093 42 4ZZ 0.00239 0.00513 0.00039 -0.00897 -0.00237 43 4XY -0.00036 -0.00218 -0.00132 0.00287 0.00245 44 4XZ 0.00850 0.01386 0.00259 -0.02716 -0.00265 45 4YZ -0.00161 0.00719 -0.00057 -0.00623 -0.01208 46 4 C 1S 0.00011 0.00011 0.00097 0.00005 -0.00049 47 2S -0.00031 0.00007 -0.00262 -0.00023 0.00082 48 2PX 0.04682 0.02861 0.00995 -0.05577 0.01694 49 2PY 0.02041 0.01292 0.00294 -0.02482 0.00724 50 2PZ -0.27704 -0.17133 -0.04927 0.33295 -0.10614 51 3S 0.00248 0.00119 -0.01493 -0.00403 -0.00580 52 3PX 0.03429 0.02104 0.00303 -0.07919 0.02185 53 3PY 0.01652 0.00840 -0.00773 -0.03104 0.01161 54 3PZ -0.19806 -0.12651 -0.06409 0.44621 -0.14039 55 4XX 0.00302 -0.00302 -0.00009 0.00004 -0.00688 56 4YY -0.00048 0.00160 -0.00046 0.00160 0.00210 57 4ZZ -0.00243 0.00149 0.00049 -0.00156 0.00454 58 4XY 0.00013 0.00137 0.00159 0.00246 0.00039 59 4XZ -0.00984 0.00994 0.00321 0.00078 0.02199 60 4YZ 0.00408 -0.01219 -0.00119 -0.01318 -0.01627 61 5 C 1S -0.00004 -0.00003 0.00529 0.00082 -0.00145 62 2S 0.00026 0.00028 -0.01256 -0.00210 0.00286 63 2PX -0.00316 0.05538 -0.00347 0.04346 0.04027 64 2PY -0.00115 0.02380 -0.00096 0.01879 0.01708 65 2PZ 0.02041 -0.32373 -0.02393 -0.26053 -0.23397 66 3S -0.00113 -0.00136 0.00747 0.00568 0.00405 67 3PX -0.00350 0.03859 0.01536 0.06420 0.05389 68 3PY 0.00049 0.01739 0.01070 0.03108 0.01814 69 3PZ 0.01434 -0.23598 -0.02520 -0.34649 -0.31381 70 4XX -0.00114 0.00103 0.00153 -0.00065 -0.00387 71 4YY -0.00227 -0.00024 -0.00111 0.00248 -0.00225 72 4ZZ 0.00343 -0.00081 0.00094 -0.00153 0.00569 73 4XY -0.00327 -0.00013 -0.00089 0.00333 -0.00400 74 4XZ 0.00362 -0.00379 0.00167 0.00391 0.01058 75 4YZ 0.01765 0.00218 0.00443 -0.02048 0.01917 76 6 C 1S 0.00008 0.00025 -0.00196 -0.00045 0.00021 77 2S -0.00025 -0.00091 0.00283 0.00139 0.00013 78 2PX -0.05069 0.02058 0.00089 0.01543 -0.06068 79 2PY -0.02199 0.00979 -0.00763 0.00435 -0.02344 80 2PZ 0.29870 -0.13161 0.06412 -0.07750 0.34472 81 3S 0.00268 0.00417 0.03247 0.00311 -0.02058 82 3PX -0.03446 0.01726 0.03179 0.02917 -0.09582 83 3PY -0.01560 0.00354 0.03417 0.02330 -0.03740 84 3PZ 0.21523 -0.09559 0.09739 -0.09763 0.45461 85 4XX -0.00261 -0.00430 -0.00066 -0.00812 -0.00067 86 4YY 0.00017 -0.00077 0.00036 -0.00079 -0.00172 87 4ZZ 0.00249 0.00525 -0.00029 0.00875 0.00222 88 4XY -0.00033 -0.00226 -0.00245 -0.00322 -0.00150 89 4XZ 0.00889 0.01477 -0.00021 0.02631 0.00189 90 4YZ -0.00167 0.00642 0.00065 0.00564 0.01162 91 7 C 1S 0.00006 -0.00045 0.00817 0.00175 -0.00216 92 2S -0.00019 0.00229 -0.02354 -0.00666 0.00240 93 2PX -0.04673 -0.03108 -0.02868 -0.06184 0.02602 94 2PY -0.01880 -0.01411 -0.03407 -0.02781 0.01534 95 2PZ 0.27898 0.19825 -0.02517 0.33142 -0.11477 96 3S -0.00044 -0.01228 -0.01079 0.01491 0.03066 97 3PX -0.02941 -0.02076 0.02134 -0.06771 0.00717 98 3PY -0.01479 -0.00308 -0.19452 -0.08245 0.04725 99 3PZ 0.20012 0.15026 -0.06767 0.43281 -0.14920 100 4XX 0.00284 -0.00282 0.00270 0.00008 0.00632 101 4YY -0.00045 0.00168 -0.00043 -0.00159 -0.00244 102 4ZZ -0.00236 0.00105 -0.00199 0.00168 -0.00456 103 4XY 0.00004 0.00174 0.00024 -0.00277 -0.00131 104 4XZ -0.00974 0.00854 -0.00511 0.00024 -0.02217 105 4YZ 0.00402 -0.01233 0.00068 0.01322 0.01689 106 8 H 1S -0.00004 0.00106 -0.01247 -0.00337 0.00130 107 2S 0.00071 -0.00200 0.15967 0.03758 -0.03772 108 9 H 1S -0.00029 0.00030 0.00579 0.00017 -0.00133 109 2S -0.00046 0.00163 0.00361 -0.00390 -0.00429 110 10 H 1S -0.00009 -0.00044 0.00669 0.00114 -0.00156 111 2S -0.00066 -0.00113 0.02776 0.00582 -0.00738 112 11 H 1S 0.00034 0.00021 0.00527 0.00063 -0.00188 113 2S 0.00089 -0.00025 0.01285 0.00273 -0.00689 114 12 H 1S -0.00008 0.00008 -0.00073 -0.00011 -0.00069 115 2S -0.00199 -0.00123 0.08441 0.01371 -0.02153 116 13 C 1S 0.00048 -0.01861 -0.01879 0.01621 0.02061 117 2S 0.00118 0.03663 0.02883 -0.02611 -0.04264 118 2PX 0.00089 -0.06735 -0.10383 0.02219 0.04911 119 2PY 0.00016 -0.05526 0.44168 0.07884 -0.05026 120 2PZ -0.01369 0.03343 0.16842 -0.01599 -0.03424 121 3S -0.01854 0.11394 0.11444 -0.19218 -0.14262 122 3PX 0.02425 0.00378 -0.13620 0.04662 -0.07606 123 3PY -0.00081 -0.04011 0.49778 0.08969 -0.06300 124 3PZ -0.01576 0.01519 0.15724 -0.03432 -0.01246 125 4XX -0.00069 -0.00234 0.00140 0.00266 0.00448 126 4YY 0.00013 0.00051 -0.00366 0.00028 -0.00005 127 4ZZ 0.00114 -0.00120 -0.00277 -0.00009 -0.00154 128 4XY 0.00003 0.00310 -0.00039 0.00045 -0.00044 129 4XZ 0.00065 -0.00139 0.00025 0.00110 -0.00044 130 4YZ 0.00033 -0.00217 -0.00361 0.00268 0.00169 131 14 C 1S 0.00065 0.00467 0.00401 -0.00109 -0.00671 132 2S -0.00058 -0.00736 -0.01115 0.00378 0.00822 133 2PX 0.00192 0.03795 0.02078 -0.02061 -0.03020 134 2PY 0.00039 0.01753 -0.02711 -0.00410 -0.00413 135 2PZ 0.00307 0.00862 -0.00188 -0.01678 -0.01473 136 3S -0.01297 -0.04868 -0.00259 -0.01133 0.10971 137 3PX 0.00513 0.04346 -0.01721 -0.04743 -0.07403 138 3PY 0.00277 0.01485 0.05640 0.01309 -0.03795 139 3PZ 0.00649 0.01618 0.04574 -0.01734 -0.05721 140 4XX -0.00024 -0.00026 0.00776 -0.00025 -0.00193 141 4YY -0.00010 0.00088 0.00384 0.00031 -0.00108 142 4ZZ 0.00056 0.00055 -0.01096 -0.00001 0.00152 143 4XY 0.00002 0.00236 -0.02904 -0.00501 0.00399 144 4XZ 0.00026 -0.00150 -0.00811 -0.00047 0.00161 145 4YZ 0.00014 -0.00033 -0.00221 -0.00040 -0.00009 146 15 H 1S -0.00121 0.01744 -0.04986 -0.01140 0.00511 147 2S -0.00160 0.02400 -0.09731 -0.03060 0.00839 148 16 H 1S 0.00327 0.00523 -0.06754 -0.00699 0.00770 149 2S 0.00292 -0.00579 -0.17663 0.02494 0.06201 150 17 H 1S -0.00075 -0.00537 0.11849 0.01586 -0.01938 151 2S 0.00067 -0.00493 0.31099 0.06035 -0.07382 152 18 H 1S 0.00880 -0.00373 -0.02012 0.00030 -0.00662 153 2S 0.00501 -0.03860 -0.05796 0.01505 0.04721 154 19 H 1S 0.00713 -0.07911 -0.06975 0.04615 0.05469 155 2S 0.02686 -0.09649 -0.19118 0.22868 0.11624 156 20 H 1S -0.00130 0.00479 0.11591 0.01038 -0.02519 157 2S 0.00338 0.00812 0.29379 0.06331 -0.09552 36 37 38 39 40 V V V V V Eigenvalues -- 0.09867 0.11105 0.13094 0.13681 0.15630 1 1 C 1S 0.01852 -0.07251 -0.04030 0.01654 0.04981 2 2S 0.00543 0.08503 0.03093 -0.02091 -0.05673 3 2PX -0.10579 0.01995 0.04618 0.01837 -0.01696 4 2PY 0.08825 -0.06478 -0.09175 0.17273 0.04156 5 2PZ -0.06758 0.12597 0.08616 0.13562 -0.07285 6 3S -0.55650 1.20986 0.81751 -0.27203 -0.95494 7 3PX -0.20291 -0.12855 0.32663 0.14844 -0.07066 8 3PY 0.22953 -0.24031 -0.25305 0.49554 0.00153 9 3PZ -0.17461 0.41044 0.13004 0.36492 -0.21622 10 4XX -0.00544 -0.01020 0.01340 0.00884 0.00560 11 4YY 0.00263 -0.00634 -0.00885 0.00068 0.00239 12 4ZZ 0.00808 -0.00103 -0.01582 -0.00612 0.00430 13 4XY 0.00023 0.00185 0.00226 -0.00430 0.00262 14 4XZ -0.00237 -0.00170 -0.00086 -0.00420 0.00871 15 4YZ 0.00379 -0.00283 -0.00089 -0.00025 0.00179 16 2 C 1S 0.01696 0.01658 -0.01601 -0.01087 -0.01019 17 2S -0.03381 -0.03255 0.01559 0.02413 0.00226 18 2PX -0.03330 -0.05499 0.06724 0.03493 0.00804 19 2PY 0.01489 0.00630 -0.03703 0.02138 -0.01473 20 2PZ -0.01280 -0.00936 0.05921 0.05918 -0.06563 21 3S -0.22630 0.04018 0.44903 0.01084 -0.11391 22 3PX 0.11588 -0.37930 0.03707 0.19518 0.31720 23 3PY -0.08249 0.17607 0.06205 -0.20931 0.01426 24 3PZ 0.03000 -0.11568 0.05811 0.04307 -0.04973 25 4XX 0.01674 0.00574 -0.00237 0.00173 -0.00546 26 4YY -0.01399 0.00285 0.00446 -0.00736 -0.00977 27 4ZZ -0.00089 -0.00219 -0.00196 0.00193 0.00269 28 4XY -0.00319 -0.00470 -0.00952 0.01669 -0.00470 29 4XZ 0.00192 0.00558 0.00409 0.00814 -0.01173 30 4YZ -0.00193 -0.00110 -0.00098 0.00122 0.00062 31 3 C 1S 0.04221 -0.00038 -0.00995 0.02405 0.01984 32 2S -0.08122 0.01528 0.00917 -0.02797 -0.06378 33 2PX -0.04145 0.01520 0.02769 -0.01753 -0.03828 34 2PY 0.13030 0.00106 -0.11293 0.19011 -0.01435 35 2PZ 0.02684 -0.04499 -0.04994 -0.04826 0.09906 36 3S -0.42753 -0.14180 0.24404 -0.51216 0.01432 37 3PX -0.22375 0.03681 0.04470 -0.19296 0.03099 38 3PY 0.41994 -0.20738 -0.39243 0.55856 0.29715 39 3PZ 0.02132 -0.05719 -0.11052 -0.09409 0.18340 40 4XX -0.00484 -0.00513 0.00121 0.00080 0.00457 41 4YY 0.01343 0.00740 0.00032 -0.00056 -0.00322 42 4ZZ -0.00037 -0.00032 -0.00193 0.00193 -0.00055 43 4XY -0.01129 -0.00268 0.00092 -0.00743 0.00624 44 4XZ -0.00094 -0.00342 -0.00083 -0.00280 0.00471 45 4YZ -0.00109 -0.00004 0.00238 0.00048 -0.00225 46 4 C 1S 0.03840 0.01989 0.00995 0.01490 -0.03068 47 2S -0.05299 -0.04373 -0.02401 -0.00342 0.05457 48 2PX 0.10946 0.00470 0.00281 0.06836 -0.02883 49 2PY 0.10322 0.03882 -0.00221 0.08815 -0.08766 50 2PZ -0.00246 0.06946 0.05922 0.09699 -0.12464 51 3S -0.70747 -0.12739 -0.04300 -0.53725 0.42208 52 3PX 0.13233 0.11928 0.00086 0.14809 -0.20316 53 3PY 0.19266 0.18935 0.12045 0.08590 -0.40946 54 3PZ -0.00650 0.13360 0.11209 0.16600 -0.25909 55 4XX -0.00149 0.00195 -0.00355 0.00310 -0.00421 56 4YY 0.00526 0.00402 0.00740 -0.00444 -0.00203 57 4ZZ 0.00259 -0.00180 -0.00169 0.00196 0.00185 58 4XY 0.01832 0.00517 -0.00002 0.00919 -0.00299 59 4XZ 0.00189 -0.00105 -0.00230 -0.00149 0.00292 60 4YZ 0.00437 -0.00187 -0.00177 -0.00290 0.00481 61 5 C 1S 0.03953 0.01103 0.01395 0.00033 -0.00621 62 2S -0.07192 -0.00719 -0.01143 -0.00773 -0.00899 63 2PX 0.13500 0.06893 0.10708 0.00705 -0.07123 64 2PY -0.02523 -0.01187 -0.03569 0.03743 0.00622 65 2PZ 0.04194 -0.04819 -0.03742 -0.07166 0.10162 66 3S -0.46424 -0.36802 -0.39544 0.12013 0.41078 67 3PX 0.38288 0.04356 0.20299 0.05567 0.00131 68 3PY -0.08030 -0.02863 -0.00081 -0.10024 0.08111 69 3PZ 0.09537 -0.09586 -0.06420 -0.13648 0.21374 70 4XX 0.01876 0.00305 0.00588 -0.00276 0.00395 71 4YY -0.01048 -0.00418 -0.00662 0.00390 0.00135 72 4ZZ -0.00005 0.00151 0.00191 0.00001 -0.00347 73 4XY -0.00843 -0.00226 0.00067 -0.00672 0.00268 74 4XZ 0.00255 0.00259 0.00321 0.00273 -0.00483 75 4YZ -0.00080 -0.00291 -0.00230 -0.00229 0.00210 76 6 C 1S 0.03586 0.02229 0.02772 -0.02930 0.00830 77 2S -0.05036 -0.04541 -0.04239 0.04515 0.00552 78 2PX 0.05323 -0.00979 0.02743 -0.02647 0.04161 79 2PY -0.11685 -0.05407 -0.12400 0.13416 -0.04573 80 2PZ -0.00667 0.03581 0.03673 0.07396 -0.10881 81 3S -0.64009 -0.18399 -0.49282 0.50616 -0.43038 82 3PX 0.04467 -0.03237 0.05339 -0.16272 0.11233 83 3PY -0.18315 -0.29076 -0.35305 0.38703 0.05419 84 3PZ -0.02401 0.04167 0.06513 0.12172 -0.17885 85 4XX -0.01016 -0.00241 -0.00563 0.00022 -0.00159 86 4YY 0.01553 0.00720 0.00781 -0.00499 -0.00139 87 4ZZ 0.00044 0.00040 0.00171 0.00009 0.00251 88 4XY -0.00674 -0.00386 -0.00414 0.00867 -0.00285 89 4XZ -0.00469 0.00179 0.00071 0.00214 0.00087 90 4YZ -0.00069 0.00299 0.00206 0.00511 -0.00766 91 7 C 1S 0.03861 -0.00327 0.00806 -0.00833 0.02442 92 2S -0.08089 0.02406 -0.00516 -0.01523 -0.07213 93 2PX -0.06298 0.00752 -0.02097 0.07811 -0.10970 94 2PY -0.05448 -0.01963 -0.05605 0.14352 -0.07336 95 2PZ -0.03144 -0.00256 -0.00769 -0.00873 0.08910 96 3S -0.27343 -0.16258 -0.28117 0.54924 -0.23109 97 3PX -0.27097 0.03702 -0.13657 0.22656 -0.35807 98 3PY -0.22125 0.25654 0.04553 0.15493 -0.33122 99 3PZ -0.05825 0.01118 -0.09249 -0.04268 0.08217 100 4XX 0.00485 -0.00011 0.00144 0.00294 -0.00237 101 4YY 0.00542 0.00053 -0.00373 0.00285 -0.00279 102 4ZZ -0.00064 -0.00005 0.00057 -0.00445 0.00171 103 4XY 0.01290 0.00978 0.00672 -0.01132 0.00017 104 4XZ 0.00330 -0.00227 -0.00205 -0.00256 0.00328 105 4YZ 0.00270 0.00309 -0.00061 -0.00214 0.00129 106 8 H 1S 0.05131 0.03100 0.01728 -0.03228 0.00667 107 2S 0.64312 -0.08267 0.27679 -0.63541 0.64801 108 9 H 1S 0.05024 0.02779 0.03496 -0.03920 0.00186 109 2S 0.67010 0.40764 0.69517 -0.77894 0.20945 110 10 H 1S 0.06494 0.01254 0.02107 0.00385 0.00184 111 2S 0.83225 0.25741 0.46400 -0.00162 -0.18806 112 11 H 1S 0.05986 0.02189 0.00335 0.02663 -0.02476 113 2S 0.76566 0.35893 0.13623 0.53951 -0.73216 114 12 H 1S 0.05566 0.02295 -0.00508 0.02287 -0.01088 115 2S 0.83884 -0.05482 -0.52640 0.90886 0.23747 116 13 C 1S -0.00038 -0.01184 0.03596 0.02400 0.05400 117 2S -0.02306 0.05411 -0.04636 -0.02359 -0.07682 118 2PX 0.00234 -0.01488 0.06055 0.02422 -0.02335 119 2PY -0.05654 0.00395 -0.02215 -0.04386 -0.03458 120 2PZ -0.04493 -0.03408 0.13497 0.09159 0.12364 121 3S 0.10636 0.15412 -0.59844 -0.40903 -0.78942 122 3PX 0.01266 -0.15197 0.29979 0.05027 -0.19558 123 3PY -0.11401 0.00184 0.12343 -0.15017 -0.07007 124 3PZ -0.01167 -0.10158 0.24271 0.09024 0.42041 125 4XX 0.00344 0.00782 -0.00942 -0.00332 0.00593 126 4YY -0.00193 -0.00349 0.00817 0.00160 0.00439 127 4ZZ -0.00691 0.00566 0.00744 0.00856 0.00042 128 4XY 0.00053 0.00266 -0.00765 -0.00863 -0.00643 129 4XZ -0.00464 0.00199 0.00729 0.00459 0.01013 130 4YZ 0.00705 -0.00645 -0.00659 -0.00195 0.00172 131 14 C 1S 0.00890 -0.10752 0.06394 -0.00516 -0.07557 132 2S -0.00047 0.12775 -0.07771 -0.00083 0.08715 133 2PX -0.02813 0.13203 -0.09182 -0.01857 0.01621 134 2PY -0.00182 -0.00022 -0.07284 -0.03727 -0.13008 135 2PZ -0.05069 0.06335 0.13407 0.13355 0.11273 136 3S -0.22256 1.77242 -1.07483 0.11389 1.22887 137 3PX -0.05293 0.44327 -0.24035 -0.08809 -0.08831 138 3PY 0.02968 0.02180 -0.26275 -0.15711 -0.40932 139 3PZ -0.15938 0.16852 0.35766 0.37249 0.28569 140 4XX -0.00294 -0.00394 0.00473 0.00018 -0.00757 141 4YY 0.00093 -0.01141 0.00799 -0.00014 -0.00316 142 4ZZ 0.00465 -0.01007 0.00242 -0.00182 -0.00778 143 4XY 0.00292 -0.00059 0.00357 0.00811 0.00498 144 4XZ 0.00266 0.00535 -0.00811 -0.00443 -0.01184 145 4YZ 0.00282 0.00123 -0.00682 -0.00446 -0.00869 146 15 H 1S -0.00254 -0.03334 0.05083 0.04583 0.05910 147 2S -0.02792 -0.80176 1.08868 0.49319 0.26528 148 16 H 1S 0.02258 -0.01191 -0.02411 -0.02050 -0.05713 149 2S 0.29717 -0.92402 -0.02064 -0.49270 -0.82896 150 17 H 1S -0.01136 -0.01302 0.00474 -0.03010 -0.03026 151 2S 0.05602 -0.84250 0.35433 -0.10213 -0.83428 152 18 H 1S -0.03292 0.03514 0.04790 0.04645 0.04017 153 2S -0.11260 -0.16368 0.78892 0.51306 0.84667 154 19 H 1S 0.01994 -0.00120 -0.05655 -0.04191 0.02571 155 2S 0.38323 -0.77135 -0.59684 -0.62517 0.59100 156 20 H 1S 0.00207 -0.01103 -0.03751 0.02119 0.00396 157 2S 0.42296 -0.65539 -0.60605 0.75026 0.35428 41 42 43 44 45 V V V V V Eigenvalues -- 0.16021 0.17129 0.18027 0.18612 0.19352 1 1 C 1S 0.00793 0.07117 0.00795 0.05662 0.01013 2 2S 0.00372 -0.09939 0.00247 -0.07181 -0.02580 3 2PX -0.05920 0.01698 -0.02309 -0.08852 -0.03472 4 2PY 0.08939 0.08737 0.03622 -0.21644 0.00754 5 2PZ 0.07686 0.00052 0.05095 -0.16784 0.02244 6 3S -0.25204 -1.14682 -0.20367 -0.88368 0.14298 7 3PX -0.17996 -0.06946 -0.10473 -0.27601 -0.05650 8 3PY 0.21487 0.20221 0.05920 -0.74087 -0.05577 9 3PZ 0.18726 0.03429 0.19629 -0.43169 0.12731 10 4XX 0.00310 0.00737 -0.00049 0.00502 0.00352 11 4YY 0.00068 0.00428 -0.01477 -0.00363 -0.00022 12 4ZZ -0.00098 0.00218 0.01620 0.01139 -0.00003 13 4XY 0.00366 0.00108 0.00145 0.00507 0.01066 14 4XZ -0.01756 -0.00580 0.00171 -0.01135 0.00338 15 4YZ 0.00200 -0.00003 0.00314 -0.00373 -0.00841 16 2 C 1S -0.00722 0.02064 -0.01090 -0.00598 0.00374 17 2S 0.04108 -0.04104 -0.00671 -0.04128 -0.02480 18 2PX -0.09712 0.08744 -0.00370 -0.02879 0.01770 19 2PY -0.00797 -0.04025 -0.01452 -0.02177 -0.06012 20 2PZ 0.15259 0.08880 -0.08193 0.13005 -0.06630 21 3S -0.26403 -0.45492 0.42918 0.36753 0.40844 22 3PX 0.09602 0.30686 -0.11762 -0.14273 -0.32091 23 3PY 0.06699 -0.01275 0.06010 -0.01564 0.05720 24 3PZ 0.28775 0.18442 -0.17424 0.28072 -0.16051 25 4XX 0.00143 -0.01956 -0.00014 -0.01009 0.00007 26 4YY -0.00815 0.01320 -0.00113 -0.00191 0.01195 27 4ZZ 0.00394 0.00474 -0.00143 0.00338 -0.00449 28 4XY -0.00744 0.00756 -0.00575 -0.01041 -0.00485 29 4XZ 0.01363 -0.00015 -0.00052 -0.00273 0.00097 30 4YZ -0.00569 0.00063 -0.00101 -0.00331 -0.00040 31 3 C 1S 0.02338 -0.02709 0.02342 0.00459 0.02939 32 2S -0.05126 0.01389 -0.03131 -0.01241 -0.01375 33 2PX 0.00641 0.11506 -0.02036 -0.03778 0.01370 34 2PY 0.04355 -0.08280 0.02410 -0.03259 0.06617 35 2PZ -0.18525 -0.06487 0.05903 -0.13165 0.02034 36 3S -0.10177 0.80114 -0.49365 -0.19575 -0.93432 37 3PX 0.06990 0.39608 -0.03339 -0.05326 0.19895 38 3PY 0.42733 -0.01131 0.03121 -0.28578 -0.03214 39 3PZ -0.28186 -0.07038 0.11361 -0.26112 0.11420 40 4XX 0.00429 0.01514 0.00077 -0.00293 0.00475 41 4YY 0.00302 -0.01700 -0.00001 -0.00161 -0.00545 42 4ZZ -0.00095 -0.00197 0.00116 0.00110 0.00306 43 4XY 0.00733 -0.00671 0.00366 -0.00060 0.00196 44 4XZ -0.00272 0.00184 0.00059 -0.00176 0.00013 45 4YZ 0.01002 0.00178 -0.00420 0.00826 -0.00406 46 4 C 1S -0.03134 -0.05261 -0.01003 0.03584 -0.01571 47 2S 0.05011 0.09182 0.00597 -0.05601 -0.00661 48 2PX -0.12049 -0.04776 -0.00133 0.06777 0.02930 49 2PY -0.14123 -0.05351 -0.03526 0.06993 -0.02896 50 2PZ 0.17030 0.06386 -0.05292 0.11927 -0.01846 51 3S 0.51358 0.77508 0.34399 -0.59132 0.78973 52 3PX -0.34555 -0.45843 0.07367 0.37917 0.37066 53 3PY -0.54792 -0.16207 -0.08350 0.29837 0.06296 54 3PZ 0.26000 0.04910 -0.09250 0.28848 0.01068 55 4XX 0.00050 -0.00531 -0.00358 0.00282 -0.00358 56 4YY -0.00139 -0.00109 0.00421 0.00402 0.00828 57 4ZZ -0.00394 -0.00151 -0.00038 -0.00107 -0.00379 58 4XY -0.00039 0.00585 0.00034 -0.00464 0.00206 59 4XZ -0.00692 -0.00366 0.00212 -0.00490 0.00044 60 4YZ -0.00941 -0.00242 0.00204 -0.00421 0.00233 61 5 C 1S -0.02433 0.06969 -0.02526 -0.01841 -0.03863 62 2S 0.01319 -0.09985 0.04725 0.03830 0.09343 63 2PX -0.08953 0.19878 -0.03526 -0.00480 -0.03387 64 2PY 0.04887 -0.01503 0.03481 -0.02067 0.06440 65 2PZ -0.21233 -0.04357 0.04419 -0.10618 0.02474 66 3S 0.77605 -1.23349 0.28433 0.16340 0.15688 67 3PX -0.09260 0.72655 -0.22369 -0.21377 -0.56090 68 3PY 0.21417 0.01032 0.20397 -0.14732 0.38777 69 3PZ -0.36988 -0.01647 0.06685 -0.23916 -0.01586 70 4XX -0.00270 0.00049 -0.00071 -0.00208 -0.00354 71 4YY 0.00228 0.00465 -0.00306 -0.00356 -0.00776 72 4ZZ -0.00059 0.00459 -0.00063 0.00226 0.00209 73 4XY 0.00378 0.00089 -0.00420 -0.00277 -0.01122 74 4XZ 0.01155 0.00388 -0.00309 0.00552 -0.00378 75 4YZ -0.00133 -0.00053 0.00018 -0.00212 -0.00315 76 6 C 1S 0.01678 -0.00612 0.04534 -0.00834 0.07560 77 2S -0.00670 0.02989 -0.07552 -0.00850 -0.14925 78 2PX -0.01434 0.00306 0.01915 -0.03690 0.04686 79 2PY -0.07456 -0.09785 -0.06246 0.06745 -0.10120 80 2PZ 0.19334 0.07204 -0.04389 0.10227 -0.03126 81 3S -0.56702 -0.18740 -0.70680 0.42718 -0.81412 82 3PX 0.11009 -0.21414 0.11008 -0.06915 0.25967 83 3PY -0.01762 -0.18489 -0.38788 0.09214 -0.91652 84 3PZ 0.37721 0.09196 -0.10271 0.19730 -0.07991 85 4XX 0.00212 -0.00296 0.00682 0.00156 0.01695 86 4YY -0.00462 -0.00159 -0.00023 0.00261 -0.00157 87 4ZZ 0.00298 0.00194 0.00063 -0.00237 -0.00140 88 4XY -0.00643 -0.00319 0.00355 -0.00007 0.00718 89 4XZ -0.00359 -0.00338 0.00173 -0.00289 0.00545 90 4YZ 0.00979 0.00365 -0.00150 0.00597 0.00004 91 7 C 1S 0.03525 -0.03629 -0.01796 -0.00412 -0.06316 92 2S -0.04754 0.03844 0.05067 -0.00037 0.14349 93 2PX -0.09438 0.10206 -0.01334 0.03481 0.03857 94 2PY -0.08157 0.05294 0.04100 -0.00929 0.11700 95 2PZ -0.21281 -0.06694 0.03887 -0.12697 0.04757 96 3S -0.56148 0.79598 0.06068 -0.09246 0.48638 97 3PX -0.40673 0.24904 -0.07902 0.11098 0.41760 98 3PY -0.32292 0.11599 0.40100 0.00955 0.83512 99 3PZ -0.41588 -0.08638 0.13100 -0.20671 0.20820 100 4XX 0.00211 0.01256 -0.00752 -0.00786 -0.00970 101 4YY 0.00864 -0.01481 0.00302 -0.00149 -0.00357 102 4ZZ -0.00235 -0.00273 0.00325 0.00075 0.00338 103 4XY 0.00635 -0.00153 0.00477 0.00170 0.00617 104 4XZ -0.00663 0.00002 0.00122 -0.00667 -0.00146 105 4YZ -0.00385 -0.00443 0.00523 -0.00733 0.00387 106 8 H 1S 0.04192 -0.03424 0.00358 -0.01212 -0.04167 107 2S 0.93089 -0.68092 -0.30607 -0.00568 -1.25734 108 9 H 1S 0.00257 0.00197 0.01176 0.00644 0.02627 109 2S 0.31436 0.25240 0.70952 -0.31654 1.33508 110 10 H 1S -0.01170 0.03473 -0.01181 -0.00774 -0.01979 111 2S -0.61200 1.35788 -0.40393 -0.28489 -0.70654 112 11 H 1S -0.02712 -0.01204 0.00226 0.00606 0.01788 113 2S -0.91538 -0.74433 -0.18827 0.81149 0.00080 114 12 H 1S 0.00846 -0.04492 0.00532 -0.00927 -0.00819 115 2S 0.42762 -0.62394 0.27759 -0.16701 0.34258 116 13 C 1S -0.03167 -0.02429 -0.01203 -0.03959 -0.04928 117 2S 0.02665 0.03147 0.00400 0.06179 0.11277 118 2PX -0.00584 -0.04579 0.00338 -0.10114 -0.04436 119 2PY -0.08690 -0.01679 -0.05748 -0.01291 0.09171 120 2PZ -0.01737 0.00471 -0.03040 0.01757 -0.03622 121 3S 0.53784 0.34762 0.26652 0.56195 0.65665 122 3PX 0.07627 -0.21933 -0.09139 -0.45161 -0.08978 123 3PY -0.14994 -0.16359 -0.38419 0.03947 0.25995 124 3PZ 0.00018 -0.00135 -0.17139 0.05015 -0.28752 125 4XX -0.00449 -0.00347 -0.00529 0.00039 0.00408 126 4YY -0.00367 -0.00257 0.00245 0.00262 -0.00780 127 4ZZ -0.00219 0.00026 -0.00131 -0.00772 0.00892 128 4XY -0.00489 -0.00203 0.01164 0.00442 -0.00377 129 4XZ -0.00413 0.00383 0.01025 0.01868 0.00267 130 4YZ 0.00265 0.00167 0.00531 -0.00151 -0.00861 131 14 C 1S 0.01399 -0.01781 0.00540 -0.01158 0.02570 132 2S -0.01014 0.01073 -0.00750 0.00633 -0.03933 133 2PX 0.02982 0.03751 -0.07425 -0.02583 0.01528 134 2PY -0.00845 0.03885 0.31102 -0.04864 -0.21208 135 2PZ -0.00153 0.03076 0.20032 0.13547 -0.00427 136 3S -0.27583 0.39057 -0.04756 0.31084 -0.33816 137 3PX 0.15892 0.01648 -0.24483 -0.18945 0.08648 138 3PY 0.01325 0.07544 0.99863 -0.15135 -0.70604 139 3PZ -0.01712 0.13259 0.65198 0.50244 0.12305 140 4XX 0.00107 0.00139 0.00191 0.00440 0.00714 141 4YY -0.00039 -0.00097 0.01013 0.00570 -0.00402 142 4ZZ 0.00225 -0.00562 -0.01061 -0.01266 0.00136 143 4XY 0.00736 0.00371 0.00030 -0.00138 -0.00174 144 4XZ 0.00414 -0.00206 0.00152 -0.00848 0.00156 145 4YZ 0.00344 -0.00089 0.00370 -0.00666 -0.00547 146 15 H 1S 0.00288 0.02170 -0.00715 0.05310 0.03029 147 2S 0.02488 -0.10045 -0.25808 0.56245 0.81120 148 16 H 1S 0.01938 -0.02426 -0.05957 -0.08035 0.00455 149 2S 0.11919 -0.33919 -1.07490 -0.71676 0.27585 150 17 H 1S -0.02406 -0.01188 0.06855 0.02759 -0.03122 151 2S -0.02973 -0.03496 1.48700 -0.01949 -0.69440 152 18 H 1S -0.02175 -0.00281 0.01103 -0.01840 -0.00438 153 2S -0.18772 -0.19920 -0.16457 -0.39015 -0.71930 154 19 H 1S -0.03414 0.00413 0.05797 0.04263 0.00024 155 2S -0.26873 0.34339 -0.04308 1.24756 -0.05403 156 20 H 1S 0.00791 0.01816 -0.05713 -0.05046 -0.00967 157 2S 0.40893 0.73119 0.11170 -0.61816 -0.01390 46 47 48 49 50 V V V V V Eigenvalues -- 0.19738 0.20238 0.25487 0.27278 0.29837 1 1 C 1S 0.01822 -0.03511 0.07733 0.04076 -0.05998 2 2S -0.01063 0.06281 -0.08775 -0.07022 0.02490 3 2PX 0.05935 0.03103 0.23796 -0.05152 0.06919 4 2PY 0.06639 -0.15784 -0.07482 -0.06987 0.05252 5 2PZ -0.09725 -0.10200 0.03192 0.10265 -0.24934 6 3S -0.35953 0.38643 -1.38696 -0.60407 1.58768 7 3PX -0.09391 -0.22818 1.24849 -1.28030 0.48151 8 3PY 0.16026 -0.57088 -0.31764 -0.21880 0.75923 9 3PZ -0.34752 -0.32531 0.19892 0.23687 -1.56234 10 4XX 0.00524 0.00254 0.03288 0.01283 0.00534 11 4YY 0.00796 -0.00996 -0.01009 -0.00089 -0.00041 12 4ZZ -0.00679 0.00085 -0.01063 -0.00943 -0.01726 13 4XY -0.00159 0.01609 -0.00866 0.02176 -0.01250 14 4XZ -0.00079 0.00087 0.00613 -0.00591 0.00571 15 4YZ 0.00531 0.00106 -0.00711 0.00341 0.02933 16 2 C 1S 0.00348 0.00004 -0.13476 0.03111 0.01097 17 2S -0.06864 0.00934 0.21169 -0.03061 0.07433 18 2PX 0.03383 -0.09520 0.16901 0.06577 0.03629 19 2PY -0.02209 -0.08284 -0.05111 -0.04243 0.01507 20 2PZ 0.16275 0.07272 0.01746 -0.12060 0.05018 21 3S 0.53684 -0.37535 2.18218 -1.20073 -0.51952 22 3PX -0.46068 -0.05547 0.97638 -0.29003 -0.22308 23 3PY 0.08487 -0.18424 -0.24938 0.03930 -0.03741 24 3PZ 0.18675 0.12722 0.14439 -0.33225 0.36078 25 4XX -0.00514 -0.00740 -0.02299 -0.02830 0.01548 26 4YY 0.00626 -0.00656 -0.00012 0.01405 0.00465 27 4ZZ -0.00136 0.00377 0.00509 0.00530 -0.00678 28 4XY 0.00714 -0.01780 0.00441 -0.01622 0.00647 29 4XZ -0.00307 -0.00701 -0.00526 0.00598 0.00120 30 4YZ 0.00354 -0.00276 0.00001 -0.00470 0.01079 31 3 C 1S -0.02399 0.07656 0.05920 0.01422 -0.01941 32 2S 0.06675 -0.15317 -0.11270 -0.02750 0.06039 33 2PX 0.01813 -0.02142 0.01826 -0.00896 -0.00263 34 2PY -0.04292 0.12138 -0.05850 -0.04391 0.07671 35 2PZ -0.06286 -0.03472 -0.00957 0.02319 0.04489 36 3S -0.22515 -0.89125 -0.69139 -0.38609 0.26554 37 3PX 0.26738 -0.14251 -0.40864 0.65796 -0.11247 38 3PY -0.61701 0.72302 0.17723 -0.23391 0.20020 39 3PZ -0.19219 -0.07721 -0.04635 0.24676 -0.15353 40 4XX -0.00609 0.01016 0.01739 0.01761 -0.00024 41 4YY -0.01188 0.00368 -0.00694 -0.01334 0.00538 42 4ZZ 0.00592 -0.00183 -0.00079 -0.00234 -0.00037 43 4XY -0.00201 0.00067 0.02050 -0.00367 -0.00420 44 4XZ -0.00139 0.00361 0.00508 0.00165 -0.00692 45 4YZ 0.00744 0.00636 0.00266 -0.01235 0.00695 46 4 C 1S 0.03615 -0.06086 0.00442 -0.01430 0.00153 47 2S -0.09775 0.12735 0.04231 0.01322 -0.00616 48 2PX 0.06257 -0.04815 0.08772 0.11615 -0.04633 49 2PY 0.01933 -0.02603 -0.06444 0.03288 0.00444 50 2PZ 0.07271 0.02302 0.01066 0.00773 -0.01958 51 3S 0.06180 0.57985 -0.78422 0.63420 0.05369 52 3PX 0.58137 -0.37377 0.14949 0.63140 -0.30859 53 3PY 0.49039 -0.56869 -0.81331 0.21191 0.15551 54 3PZ 0.27439 -0.03055 -0.03788 0.04497 0.01666 55 4XX 0.00437 -0.00839 -0.02748 0.00041 0.00697 56 4YY 0.01051 -0.00449 0.01907 0.00126 -0.00744 57 4ZZ -0.00446 0.00191 0.00497 -0.00046 0.00082 58 4XY -0.00607 0.01208 -0.00454 -0.00201 0.00372 59 4XZ -0.00138 -0.00312 -0.00738 0.00120 0.00741 60 4YZ -0.00173 0.00071 0.00049 -0.00084 -0.00013 61 5 C 1S -0.04976 0.03360 -0.04966 0.00652 0.01368 62 2S 0.12278 -0.08180 0.04567 0.00156 -0.01284 63 2PX -0.03197 0.05046 0.14822 -0.05563 -0.02550 64 2PY 0.02153 0.03411 -0.03307 -0.01507 0.02690 65 2PZ -0.06697 -0.02144 0.02354 0.01768 -0.03124 66 3S 0.19619 -0.15408 1.56261 -0.20224 -0.39516 67 3PX -0.75468 0.58467 0.89210 -0.42986 -0.20422 68 3PY 0.22283 0.04033 -0.18980 0.01408 0.10413 69 3PZ -0.23397 0.03939 0.13922 -0.02418 -0.07130 70 4XX -0.00029 -0.00546 0.00616 0.00375 -0.00131 71 4YY -0.01598 0.01628 -0.00621 -0.00360 0.00089 72 4ZZ 0.00541 -0.00270 -0.00284 0.00127 0.00151 73 4XY -0.00413 -0.00922 -0.00439 -0.00759 0.00391 74 4XZ 0.00249 0.00065 0.00127 -0.00160 0.00297 75 4YZ -0.00295 -0.00061 -0.00140 -0.00142 0.00465 76 6 C 1S 0.04243 0.01527 0.00739 -0.00368 -0.00861 77 2S -0.10685 -0.00881 0.03184 -0.01553 0.00908 78 2PX 0.05510 -0.08616 0.10478 -0.00033 0.00318 79 2PY -0.07921 0.04518 0.02714 0.03254 -0.05214 80 2PZ 0.06979 0.01961 0.01460 -0.01230 0.03206 81 3S -0.08609 -0.57762 -0.76281 0.46504 0.32104 82 3PX 0.38967 -0.45638 0.46748 -0.03605 0.10184 83 3PY -0.79002 0.33139 0.65147 -0.02844 -0.30575 84 3PZ 0.14506 0.01736 0.12448 -0.07903 0.07962 85 4XX 0.01004 0.00513 -0.01468 0.00288 0.00684 86 4YY 0.00304 -0.00734 0.00699 0.00211 -0.00381 87 4ZZ -0.00288 0.00258 0.00529 -0.00156 -0.00360 88 4XY 0.00800 -0.00553 0.02233 -0.01158 -0.00018 89 4XZ 0.00137 -0.00025 -0.00174 0.00161 -0.00700 90 4YZ 0.00472 -0.00060 0.00370 -0.00160 0.00099 91 7 C 1S -0.02145 -0.04611 0.05027 -0.02514 0.00072 92 2S 0.04828 0.03499 -0.09762 0.05172 0.04150 93 2PX 0.02567 0.03220 0.03816 -0.01160 0.03327 94 2PY 0.06463 0.06134 0.05669 -0.11200 0.03824 95 2PZ -0.05690 -0.01422 0.01777 0.02731 -0.12365 96 3S -0.23893 1.13850 -0.56387 0.18371 -0.11438 97 3PX 0.49447 -0.11147 -0.33275 0.18575 0.31909 98 3PY 0.54172 0.11118 0.01394 -0.38237 0.04303 99 3PZ -0.06755 -0.11716 -0.05284 0.13655 -0.08812 100 4XX -0.00710 -0.01125 -0.00130 -0.00198 0.00660 101 4YY -0.01047 0.00512 0.01003 -0.01165 0.00437 102 4ZZ 0.00280 -0.00288 -0.00166 0.00537 -0.00190 103 4XY -0.00097 0.00962 -0.02272 0.00067 0.00002 104 4XZ -0.00478 -0.00291 -0.00218 0.00239 0.00687 105 4YZ -0.01027 -0.00345 -0.00266 0.00891 -0.00689 106 8 H 1S -0.05923 0.00600 -0.03661 -0.00796 0.00341 107 2S -0.67573 -0.46882 0.30827 0.13963 -0.16792 108 9 H 1S 0.02725 -0.01449 -0.02234 0.02443 -0.00565 109 2S 0.97486 -0.28555 -0.16457 -0.12590 0.22097 110 10 H 1S -0.02271 0.01228 0.04073 0.01137 -0.01028 111 2S -0.89594 0.62566 0.48869 -0.30279 -0.10857 112 11 H 1S 0.03062 -0.02585 -0.02531 0.00499 0.00603 113 2S 0.82797 -0.93883 -0.19440 0.42004 -0.12172 114 12 H 1S -0.04832 0.05879 -0.02863 -0.04028 0.02953 115 2S -0.65301 1.28441 0.44207 -0.29654 0.19613 116 13 C 1S 0.06694 0.02798 -0.03543 -0.10279 0.02488 117 2S -0.09472 -0.01227 0.06544 0.09403 -0.02183 118 2PX -0.00919 -0.01697 0.07332 0.22157 0.31006 119 2PY 0.01364 0.01977 0.04299 -0.09630 0.12712 120 2PZ 0.14807 0.14211 0.01750 0.24147 -0.12669 121 3S -1.14589 -0.51751 0.47285 2.18372 -0.53396 122 3PX -0.01399 0.03320 0.06062 0.99364 2.03441 123 3PY -0.15017 0.00615 0.18681 -0.52695 0.80151 124 3PZ 0.61514 0.60209 -0.11492 1.34365 -0.66090 125 4XX 0.00256 0.00477 -0.01613 -0.00358 -0.01147 126 4YY 0.00608 0.00552 0.00445 -0.01177 0.00786 127 4ZZ -0.00151 0.00176 0.01158 0.00235 0.00454 128 4XY 0.00323 0.01170 -0.00419 -0.00146 0.00702 129 4XZ -0.00794 -0.00149 0.00439 0.00146 -0.01118 130 4YZ 0.00525 -0.00336 -0.01238 -0.00000 -0.00564 131 14 C 1S -0.03904 -0.00123 0.01178 0.06423 0.02405 132 2S 0.04369 0.00858 -0.05602 -0.02003 0.01282 133 2PX 0.01627 -0.02595 0.18250 0.13442 0.13290 134 2PY 0.09674 0.02675 0.08187 -0.00644 0.00576 135 2PZ -0.15122 -0.09247 -0.08401 0.02092 0.13381 136 3S 0.59902 -0.06074 0.12219 -1.48852 -0.91691 137 3PX -0.08310 -0.00808 0.45915 1.57408 1.07820 138 3PY 0.29551 0.16835 0.05236 0.31120 -0.13695 139 3PZ -0.66620 -0.45948 -0.03697 -0.09937 0.79086 140 4XX -0.00794 -0.00020 0.01630 0.03910 0.01396 141 4YY -0.00320 0.00026 -0.00663 -0.01168 -0.00736 142 4ZZ 0.00159 -0.00044 -0.01086 -0.01354 0.00156 143 4XY -0.00502 -0.01031 0.00535 0.00664 -0.01384 144 4XZ -0.00922 -0.00789 -0.00395 0.00219 0.02144 145 4YZ 0.00292 0.00199 -0.00713 0.01054 -0.00648 146 15 H 1S -0.02961 -0.03353 0.00994 -0.05673 -0.07466 147 2S -0.93523 -0.41120 -0.46399 -0.33285 0.14939 148 16 H 1S 0.01933 0.00307 -0.05096 -0.04948 -0.03846 149 2S 0.39450 0.42077 0.00106 0.15066 -0.72507 150 17 H 1S 0.01289 0.04673 -0.03218 -0.03504 -0.01265 151 2S 0.00654 0.12903 -0.15401 -0.07224 -0.19900 152 18 H 1S 0.01580 0.00938 0.02571 -0.01182 0.01113 153 2S 1.15653 0.82321 -0.27053 0.92321 0.04064 154 19 H 1S -0.01504 0.02664 -0.03761 -0.01327 0.05699 155 2S 0.38457 0.38610 0.04734 0.20347 0.77823 156 20 H 1S 0.03532 -0.06970 -0.02993 -0.01338 0.04342 157 2S 0.35000 -1.00335 -0.01947 0.04427 0.04493 51 52 53 54 55 V V V V V Eigenvalues -- 0.31210 0.32832 0.33579 0.35605 0.47190 1 1 C 1S 0.01422 -0.04663 0.03030 -0.01560 -0.00462 2 2S -0.01082 0.00511 0.06132 0.01514 0.01589 3 2PX -0.01638 -0.10311 -0.15586 -0.05941 0.20259 4 2PY -0.07875 0.06052 0.05845 0.16887 0.23669 5 2PZ 0.03002 -0.04042 -0.02145 -0.00070 -0.04494 6 3S -0.37551 1.43689 -1.13593 0.41693 0.40484 7 3PX 0.01654 -1.59330 -0.24387 0.29455 -0.24799 8 3PY -0.01679 0.31316 -0.33681 1.11831 -0.48676 9 3PZ 0.23032 -0.38772 0.23732 -0.20091 -0.18252 10 4XX -0.00024 -0.02915 -0.00029 0.00687 0.02752 11 4YY 0.00388 0.01428 0.00223 -0.01469 -0.03521 12 4ZZ -0.00174 0.00530 0.00615 0.00670 0.01559 13 4XY -0.00564 0.00433 -0.00539 0.02680 0.04490 14 4XZ -0.00236 -0.00704 -0.00553 0.00464 0.00795 15 4YZ -0.00263 0.00825 -0.01159 0.00933 -0.00755 16 2 C 1S 0.00467 0.01345 -0.06960 -0.01760 -0.01072 17 2S -0.01705 -0.01407 0.01601 0.05152 0.06209 18 2PX 0.00487 -0.30864 -0.08012 -0.14764 0.08259 19 2PY -0.17233 0.12110 0.11173 -0.29047 0.15523 20 2PZ -0.02512 -0.06131 -0.02556 -0.02898 0.00048 21 3S -0.12855 -0.26571 2.41507 0.73560 -0.00277 22 3PX 0.03839 -2.06678 -0.13252 -0.80297 0.15098 23 3PY -0.99401 0.84118 0.85565 -1.88216 1.68802 24 3PZ -0.12290 -0.29861 -0.06892 -0.18961 0.14966 25 4XX 0.00194 -0.00481 0.01876 0.00740 -0.03704 26 4YY -0.00474 0.00420 -0.03892 0.00597 0.03481 27 4ZZ 0.00182 -0.00392 0.00400 -0.00360 0.00065 28 4XY 0.01221 0.00589 -0.01094 -0.02673 -0.05777 29 4XZ 0.00239 0.00326 0.00479 -0.00066 -0.01036 30 4YZ 0.00025 0.00253 -0.00695 -0.00177 -0.00564 31 3 C 1S -0.01698 0.00497 -0.04316 0.06648 0.01909 32 2S 0.03370 0.01231 0.01666 -0.03410 -0.06999 33 2PX -0.14553 0.06945 -0.24766 0.00070 -0.17177 34 2PY 0.10968 -0.04448 -0.06674 -0.19713 -0.07893 35 2PZ -0.01916 0.02197 -0.06026 0.00892 -0.06190 36 3S 0.04789 -0.59231 1.59932 -2.34329 0.20441 37 3PX -1.27734 0.41108 -1.39925 -0.62569 1.92826 38 3PY 0.56523 -0.63409 -0.24272 -1.29122 0.48957 39 3PZ -0.15170 0.02694 -0.20232 -0.24661 0.39755 40 4XX 0.00243 -0.01276 -0.03035 0.01023 0.05309 41 4YY -0.00871 0.01389 0.02313 -0.00024 -0.02817 42 4ZZ 0.00162 -0.00002 0.00071 -0.00073 -0.01259 43 4XY 0.02552 0.01604 0.01483 0.02900 -0.01527 44 4XZ 0.00279 -0.00270 -0.00421 0.00284 0.01094 45 4YZ 0.00193 0.00263 0.00146 0.00746 -0.00533 46 4 C 1S 0.07131 0.03877 0.04517 0.00529 -0.00828 47 2S -0.07201 -0.07146 -0.05130 0.00725 0.04442 48 2PX -0.04519 -0.05126 -0.21134 0.04845 0.33096 49 2PY -0.19202 -0.16547 0.08372 0.02758 -0.21226 50 2PZ -0.02113 -0.02327 -0.02511 0.00361 0.03579 51 3S -2.25898 -0.50852 -1.31154 -0.60802 0.21095 52 3PX -0.50558 0.32190 -1.43504 0.96229 0.82036 53 3PY -0.83062 -1.24146 0.62307 -0.31395 -0.58191 54 3PZ -0.15660 -0.04077 -0.21712 0.15557 0.08990 55 4XX 0.01257 -0.01538 0.02127 -0.02555 0.02354 56 4YY -0.00581 0.02519 -0.01621 0.02586 -0.02722 57 4ZZ 0.00011 -0.00304 -0.00099 -0.00143 0.00409 58 4XY -0.02047 0.00600 -0.01650 -0.03411 -0.00396 59 4XZ 0.00029 -0.00070 0.00176 -0.00536 0.00292 60 4YZ -0.00403 0.00302 -0.00434 -0.00353 -0.00344 61 5 C 1S 0.00645 -0.07269 0.02069 -0.00860 0.01080 62 2S -0.00778 0.07983 -0.00047 0.02073 -0.00630 63 2PX -0.06477 0.20057 0.05096 0.00153 0.00508 64 2PY -0.18630 -0.03155 0.03996 -0.25616 0.12658 65 2PZ -0.01975 0.03135 0.01833 -0.02368 0.00297 66 3S -0.15216 2.07013 -1.14834 0.03605 -0.30707 67 3PX -0.50753 1.11825 0.21587 0.11209 -0.59374 68 3PY -1.72738 -0.41822 -0.01940 -0.93918 -1.72122 69 3PZ -0.20469 0.15775 0.04374 -0.05585 -0.22055 70 4XX 0.01659 0.00892 -0.02625 -0.01374 0.01644 71 4YY -0.01691 -0.01708 0.02601 0.01140 -0.01375 72 4ZZ 0.00117 0.00062 0.00049 0.00044 -0.00009 73 4XY 0.04128 0.00266 0.02119 -0.00595 0.03407 74 4XZ 0.00580 0.00240 -0.00421 -0.00278 0.00648 75 4YZ 0.00514 -0.00002 0.00506 0.00097 0.00501 76 6 C 1S -0.08010 0.01367 0.02612 0.03034 -0.01283 77 2S 0.08245 -0.03561 -0.02445 -0.04614 0.01844 78 2PX -0.01560 0.02522 -0.19939 -0.16101 -0.33192 79 2PY -0.22223 0.09634 -0.04855 0.07964 -0.11185 80 2PZ -0.02313 0.02027 -0.04040 -0.01661 -0.06823 81 3S 2.46993 0.01571 -1.10304 -0.41725 0.31004 82 3PX 0.10693 1.05777 -1.03306 -1.56002 -0.93053 83 3PY -1.15202 0.63084 -0.27568 0.36776 -0.55984 84 3PZ -0.07838 0.22288 -0.21069 -0.22353 -0.19474 85 4XX -0.02058 -0.02027 0.01931 0.00618 -0.01858 86 4YY 0.01321 0.02714 -0.01847 0.00023 0.02107 87 4ZZ -0.00043 -0.00293 0.00081 -0.00280 0.00026 88 4XY -0.01031 0.02311 0.01376 -0.03262 0.01695 89 4XZ -0.00367 -0.00374 0.00628 -0.00298 -0.00452 90 4YZ -0.00073 0.00708 0.00083 -0.00512 0.00521 91 7 C 1S 0.01275 0.04088 0.00741 -0.07700 -0.00133 92 2S -0.04284 -0.01757 -0.02429 0.09221 0.10910 93 2PX 0.16100 0.15704 -0.13690 -0.12812 0.16980 94 2PY 0.01734 0.03754 0.20296 -0.06074 -0.18183 95 2PZ 0.04478 0.00174 0.01596 -0.05705 -0.01845 96 3S 0.11237 -1.61360 -0.11548 2.55389 -0.72673 97 3PX 1.41184 0.75520 -1.22601 -0.55222 -1.38382 98 3PY -0.27761 0.81767 1.55565 -0.48835 1.41450 99 3PZ 0.24047 0.19699 -0.06517 -0.14719 -0.10962 100 4XX 0.01998 -0.01535 -0.03290 -0.00904 -0.02877 101 4YY -0.01963 0.01981 0.02439 0.00794 0.02168 102 4ZZ 0.00023 0.00022 0.00160 0.00225 0.01252 103 4XY 0.02040 -0.00032 0.00622 0.02937 0.01588 104 4XZ 0.00499 -0.00030 -0.00620 0.00146 -0.00373 105 4YZ 0.00350 0.00275 0.00528 0.00337 0.00385 106 8 H 1S 0.05855 -0.01642 0.01558 0.09497 0.05073 107 2S -0.65394 -0.64265 -0.26153 0.10439 0.07381 108 9 H 1S 0.09027 0.03212 -0.09011 0.06519 0.02191 109 2S 0.54611 -0.28932 0.14802 -0.54759 0.04892 110 10 H 1S 0.00098 0.05571 -0.13240 -0.03899 0.01256 111 2S -0.10124 0.64692 0.38221 0.23819 -0.11425 112 11 H 1S -0.08850 0.03648 -0.05605 -0.10222 -0.03991 113 2S -0.44102 -0.52944 -0.13402 0.42890 0.11112 114 12 H 1S -0.06501 -0.02478 0.03721 -0.08515 -0.02413 115 2S 0.76741 -0.56342 -0.22445 -0.51096 -0.04260 116 13 C 1S -0.01248 0.00048 -0.03496 0.01398 0.01147 117 2S -0.00309 -0.00641 0.07737 0.00940 0.09243 118 2PX 0.01667 0.00582 0.04354 -0.03803 -0.18236 119 2PY -0.03366 0.02545 0.06223 0.05577 0.08092 120 2PZ 0.03114 0.04422 0.14659 -0.02895 0.05026 121 3S 0.26258 0.20833 0.79040 -0.72862 -0.26448 122 3PX -0.17665 0.51223 0.01024 0.22749 0.33924 123 3PY -0.13652 -0.19761 -0.22411 0.15749 0.15014 124 3PZ 0.15552 0.39046 0.54905 -0.56372 -0.07265 125 4XX 0.00032 0.01819 0.01673 -0.01681 -0.00247 126 4YY -0.00081 -0.00690 -0.00415 -0.00130 0.00664 127 4ZZ -0.00395 -0.00682 0.00246 0.00984 0.02862 128 4XY -0.00385 0.00805 0.00644 0.00248 0.02216 129 4XZ 0.00401 -0.00615 0.00252 -0.00408 -0.01844 130 4YZ 0.00140 0.00925 -0.00128 0.00413 -0.01981 131 14 C 1S 0.00505 0.00582 0.01627 -0.00879 -0.00621 132 2S -0.00723 0.06162 -0.00530 -0.01530 -0.00127 133 2PX -0.00439 -0.10714 0.01801 0.06289 0.06591 134 2PY 0.01846 -0.10437 -0.01765 -0.00898 -0.03997 135 2PZ -0.01225 0.08716 -0.03433 0.01088 0.02882 136 3S -0.00828 -0.59332 -0.28343 0.20811 -0.10240 137 3PX 0.04919 0.26415 0.47237 -0.20919 -0.18511 138 3PY 0.05951 0.04090 0.03262 -0.08653 -0.02593 139 3PZ -0.08799 0.02366 -0.12496 0.15469 -0.01440 140 4XX 0.00554 -0.00175 0.01978 -0.00638 -0.02457 141 4YY -0.00074 0.00012 -0.00626 -0.00225 0.00474 142 4ZZ -0.00219 0.00703 -0.00959 0.00510 0.00737 143 4XY 0.00490 -0.01225 -0.00032 -0.00355 -0.02210 144 4XZ -0.00319 0.00854 -0.00476 0.00086 0.00443 145 4YZ 0.00102 0.01154 -0.00037 -0.00280 0.00231 146 15 H 1S 0.00907 -0.06190 -0.00953 0.00824 -0.04725 147 2S -0.07889 0.24229 -0.12184 0.07566 0.09903 148 16 H 1S -0.00589 0.03831 -0.03721 0.01363 0.05084 149 2S 0.06952 0.00264 0.14540 -0.13084 0.01976 150 17 H 1S -0.01098 0.03037 -0.02499 0.00053 0.07032 151 2S 0.04488 -0.01238 -0.13727 -0.06610 -0.05123 152 18 H 1S -0.00296 -0.02791 -0.00070 0.01063 0.02430 153 2S 0.04968 0.43449 0.32957 -0.21995 0.02871 154 19 H 1S -0.02222 0.04776 -0.02357 0.04467 0.07911 155 2S -0.06954 0.22321 0.21948 -0.19229 0.07678 156 20 H 1S 0.00652 0.08736 0.02768 -0.01792 -0.16962 157 2S -0.02479 0.16412 0.33345 0.87678 -0.15988 56 57 58 59 60 V V V V V Eigenvalues -- 0.50934 0.51918 0.53597 0.55384 0.55467 1 1 C 1S -0.01305 -0.00346 -0.00651 0.00805 0.00467 2 2S 0.12501 0.02381 0.14814 -0.03150 0.13849 3 2PX -0.59880 0.14294 0.07488 -0.04281 0.09697 4 2PY 0.05893 0.11945 0.23198 0.05740 0.14206 5 2PZ 0.00143 0.10287 -0.24953 -0.16492 -0.34093 6 3S -0.46196 -0.38951 -0.54308 0.78821 -0.92587 7 3PX 1.19385 0.15375 0.30243 -0.37525 0.32611 8 3PY -0.09931 -0.44439 -0.89958 -0.12897 -0.79772 9 3PZ -0.01164 -0.17535 0.48173 0.24493 0.67753 10 4XX 0.01995 -0.03570 -0.01300 0.03136 0.00136 11 4YY -0.00969 -0.01002 0.01021 0.00214 0.01022 12 4ZZ -0.00309 0.02807 0.00602 -0.01520 0.00317 13 4XY 0.02082 -0.02131 -0.02797 -0.00726 -0.00878 14 4XZ 0.00116 0.03076 0.01456 -0.01692 -0.02290 15 4YZ -0.00312 0.02097 -0.02163 -0.02546 -0.03657 16 2 C 1S 0.08434 -0.01607 0.00587 -0.04704 0.05518 17 2S -0.12501 -0.13842 -0.23168 -0.09531 -0.03438 18 2PX 0.04870 -0.09124 0.09614 0.10769 0.11295 19 2PY -0.02003 0.01790 0.06526 0.04352 0.03594 20 2PZ 0.10935 0.38970 -0.10030 -0.04982 -0.06988 21 3S -1.31433 0.65847 0.37844 1.89556 -1.89514 22 3PX 1.46107 0.32838 0.87790 -1.74241 2.29273 23 3PY -0.53629 0.87379 1.62084 0.90415 0.71463 24 3PZ 0.19102 -0.01439 0.22084 -0.27655 0.34533 25 4XX 0.07711 -0.00946 0.01302 0.01868 -0.00420 26 4YY 0.00576 -0.02232 -0.03814 -0.04455 0.01387 27 4ZZ -0.03779 -0.00211 -0.00642 0.01274 -0.00661 28 4XY -0.04180 0.00740 0.00944 -0.00379 0.01888 29 4XZ 0.01812 -0.03875 -0.00460 0.01655 0.01300 30 4YZ -0.00179 0.00515 0.00214 -0.00783 0.00646 31 3 C 1S -0.04142 0.01113 -0.01161 0.04178 -0.07194 32 2S 0.01854 -0.08398 -0.13748 -0.22373 0.09938 33 2PX 0.05958 -0.00697 0.24794 0.10486 0.07664 34 2PY 0.00036 -0.05078 0.03328 -0.15782 0.21206 35 2PZ 0.09129 0.32285 -0.35496 0.03025 -0.10579 36 3S 1.40917 -0.12950 0.55090 -1.68794 2.52997 37 3PX -0.29089 0.86208 1.10305 0.72655 0.08459 38 3PY 1.22013 0.14691 0.67838 -1.23198 1.88868 39 3PZ -0.03157 -0.16581 0.61565 0.09394 0.40849 40 4XX -0.02012 -0.00006 -0.03476 -0.05810 0.00825 41 4YY 0.02258 -0.01471 -0.00233 0.02492 -0.02110 42 4ZZ -0.00362 0.00413 0.00799 -0.00933 0.01548 43 4XY -0.02882 -0.00320 -0.00739 -0.02121 0.01893 44 4XZ -0.00628 0.00219 0.00569 -0.01864 -0.00100 45 4YZ 0.00183 0.02017 -0.00985 -0.01260 -0.01947 46 4 C 1S 0.03150 -0.00985 0.00529 -0.04414 0.06576 47 2S -0.09437 -0.01143 -0.11439 -0.16250 -0.00667 48 2PX -0.06591 0.02888 -0.00172 -0.15929 -0.08687 49 2PY -0.14724 -0.05248 -0.04751 -0.01422 -0.04255 50 2PZ 0.01938 0.21375 -0.27555 0.19888 0.20615 51 3S -1.33372 0.27364 -0.06899 2.10411 -2.27614 52 3PX -0.61486 0.74144 1.01266 1.38310 -0.53703 53 3PY -0.74789 -0.35982 -1.05800 0.84493 -1.80275 54 3PZ -0.17803 -0.00069 0.26340 0.07400 -0.47380 55 4XX -0.00687 -0.00976 -0.01719 -0.01789 0.00389 56 4YY -0.00856 -0.00027 0.00740 -0.00563 0.01564 57 4ZZ -0.00321 0.00548 -0.00709 0.00314 -0.01205 58 4XY 0.03653 -0.00514 0.01815 0.03443 -0.01578 59 4XZ 0.00475 0.00451 -0.01845 -0.00162 -0.00826 60 4YZ 0.00652 0.00341 -0.00516 0.01563 0.01021 61 5 C 1S -0.04173 0.00935 0.00100 0.05817 -0.06021 62 2S -0.04544 -0.03173 -0.10807 -0.23339 0.10622 63 2PX -0.01115 -0.07448 -0.07730 -0.29029 0.05856 64 2PY 0.09917 -0.08561 -0.17019 -0.09392 -0.19685 65 2PZ 0.04870 0.18135 -0.29927 0.20589 0.28262 66 3S 1.78911 -0.29386 0.22814 -1.75585 2.09933 67 3PX 1.20802 -0.35216 -0.13832 -1.28074 1.42598 68 3PY -0.24296 -0.72603 -1.20897 0.12468 -0.89765 69 3PZ 0.15342 -0.26581 0.09497 -0.40171 -0.03510 70 4XX 0.01627 0.00062 0.01308 0.02355 -0.02177 71 4YY -0.02231 -0.00458 -0.01989 -0.03946 0.01666 72 4ZZ -0.00069 0.00055 -0.00515 -0.00910 0.01539 73 4XY -0.00182 0.00148 -0.00923 -0.02188 0.00515 74 4XZ 0.00341 0.00425 -0.00901 0.02070 0.01060 75 4YZ -0.00229 -0.00168 -0.00134 -0.00924 -0.00204 76 6 C 1S 0.03973 -0.01049 -0.00818 -0.06179 0.04990 77 2S -0.12583 -0.01069 -0.08765 -0.11687 0.01797 78 2PX -0.15597 -0.08674 -0.00786 -0.00938 -0.02263 79 2PY 0.14026 -0.03985 0.06165 0.02205 0.00761 80 2PZ 0.02510 0.19545 -0.25268 0.22950 0.27091 81 3S -1.37230 0.24122 -0.04289 2.13598 -2.19111 82 3PX 0.18374 -0.74351 -1.34163 0.20732 -1.21908 83 3PY 1.10981 -0.44620 -0.45860 -1.63553 1.29536 84 3PZ 0.09792 -0.26891 -0.06274 -0.29032 -0.34581 85 4XX -0.03349 -0.00596 -0.02536 -0.04515 0.01081 86 4YY 0.02606 -0.00226 -0.00212 0.00687 -0.00802 87 4ZZ -0.00905 0.00489 0.00643 0.00790 -0.00262 88 4XY -0.00819 -0.00512 -0.02921 -0.03002 0.00094 89 4XZ -0.00196 0.00540 -0.00560 -0.01508 0.00718 90 4YZ -0.00065 -0.00931 0.00280 -0.01618 -0.01567 91 7 C 1S -0.05464 0.00867 0.00296 0.06581 -0.05514 92 2S 0.03876 -0.09156 -0.15478 -0.22176 0.09744 93 2PX 0.13814 -0.10655 -0.02030 0.11459 -0.15710 94 2PY -0.15943 0.02645 0.12379 0.20461 -0.05901 95 2PZ 0.11938 0.32568 -0.13264 0.12157 0.18352 96 3S 1.47408 -0.15754 0.05918 -2.05693 1.89209 97 3PX -0.70925 -0.52044 -1.15176 0.75859 -1.60086 98 3PY -0.99669 0.67437 0.74611 1.26926 -0.64775 99 3PZ -0.29257 -0.35131 -0.03894 0.19851 -0.45432 100 4XX -0.02157 -0.00545 -0.00990 -0.00013 0.01162 101 4YY 0.00508 -0.00652 -0.02000 -0.00622 -0.01487 102 4ZZ 0.00525 -0.00510 -0.00066 -0.01484 0.00967 103 4XY 0.04078 0.00925 0.02746 0.04405 -0.02389 104 4XZ -0.00582 -0.01275 0.00215 0.00400 -0.01165 105 4YZ 0.00216 -0.01840 -0.00050 0.01931 0.00287 106 8 H 1S 0.03260 0.01749 0.07389 0.23345 -0.14212 107 2S 0.37161 -0.02249 0.06098 -0.73673 0.75647 108 9 H 1S 0.15186 -0.00956 0.04613 0.02677 0.01410 109 2S -0.52148 0.07143 -0.06903 0.49402 -0.56750 110 10 H 1S 0.07204 0.01039 0.06731 0.21368 -0.13887 111 2S 0.38660 -0.10725 -0.04090 -0.69507 0.68395 112 11 H 1S 0.14228 -0.02532 0.05710 0.06559 0.04654 113 2S -0.50709 0.10711 -0.10202 0.43546 -0.65583 114 12 H 1S 0.07682 -0.02517 -0.00163 0.17210 -0.17622 115 2S 0.40527 -0.04559 0.05989 -0.75465 0.79833 116 13 C 1S -0.00908 0.02214 0.03926 -0.01777 0.00952 117 2S 0.09071 -0.01553 0.03495 0.06728 0.00612 118 2PX 0.05549 0.27070 0.14050 -0.08815 -0.04414 119 2PY 0.04174 0.15240 0.05851 0.04339 -0.22857 120 2PZ 0.03592 -0.10531 -0.00548 0.12051 0.04208 121 3S -0.45262 0.31387 0.32038 -0.02705 0.42207 122 3PX -0.07511 -0.48275 -0.40820 0.08581 -0.01052 123 3PY 0.21968 -0.05591 0.08329 0.02063 0.31537 124 3PZ -0.28149 0.02332 0.02505 -0.12068 -0.03572 125 4XX -0.01232 0.07941 0.08435 -0.02971 0.02126 126 4YY 0.00309 -0.01245 -0.01466 0.01223 0.00970 127 4ZZ 0.01054 -0.02691 0.00507 0.01363 -0.00273 128 4XY -0.01653 0.01161 0.02301 0.00325 0.01825 129 4XZ 0.02259 0.01390 -0.00613 -0.02634 -0.04381 130 4YZ 0.00784 -0.00192 -0.03063 -0.00890 -0.02717 131 14 C 1S 0.00623 -0.00081 -0.00496 0.00509 -0.00082 132 2S -0.08335 0.09558 0.08803 -0.08719 -0.00279 133 2PX 0.17059 -0.42542 -0.37619 0.23413 0.01283 134 2PY 0.21770 -0.03286 0.11946 0.08323 0.07814 135 2PZ -0.23907 -0.14790 -0.12563 0.17077 0.17864 136 3S 0.29155 0.11076 0.13039 0.03833 -0.04827 137 3PX -0.12448 0.58446 0.49010 -0.30665 0.07861 138 3PY -0.39428 -0.00048 -0.26863 -0.17534 -0.16103 139 3PZ 0.44094 0.22885 0.16719 -0.26626 -0.29501 140 4XX 0.02186 0.03827 0.02051 -0.01379 -0.01944 141 4YY 0.00041 -0.00701 -0.01086 -0.01613 -0.01374 142 4ZZ -0.02496 -0.01351 -0.00114 0.01759 0.02600 143 4XY 0.03129 -0.00142 0.00502 -0.00549 -0.00330 144 4XZ -0.02559 0.02388 0.01208 0.00256 0.01903 145 4YZ -0.04411 -0.00447 -0.01651 0.00488 0.01123 146 15 H 1S 0.22273 -0.04969 -0.00221 -0.02049 -0.10771 147 2S -0.06057 0.05484 0.04002 0.05039 0.00741 148 16 H 1S -0.17330 -0.07994 -0.04626 0.12085 0.13385 149 2S -0.05686 -0.04662 -0.03202 0.04841 -0.01217 150 17 H 1S -0.10813 -0.05544 -0.09573 -0.01913 -0.03725 151 2S -0.06914 -0.06382 -0.10580 -0.03361 -0.04135 152 18 H 1S 0.09186 -0.07712 0.07347 -0.04916 -0.07654 153 2S -0.12801 -0.11741 -0.02870 -0.02353 -0.02894 154 19 H 1S -0.03870 0.18225 -0.06599 -0.11820 -0.11371 155 2S -0.05700 0.02958 -0.04428 0.05349 -0.00514 156 20 H 1S -0.12046 -0.01773 -0.00550 0.00540 -0.03527 157 2S -0.02292 -0.20298 -0.41568 -0.04748 -0.32802 61 62 63 64 65 V V V V V Eigenvalues -- 0.57072 0.58281 0.59267 0.60084 0.60305 1 1 C 1S 0.01168 -0.00760 0.00758 -0.00274 -0.00193 2 2S -0.04184 0.07031 -0.07950 0.02255 0.03500 3 2PX 0.23008 -0.04824 -0.19387 0.04921 -0.11195 4 2PY -0.00150 0.11663 -0.05850 -0.08448 0.07180 5 2PZ 0.13393 -0.23844 0.17945 0.01179 0.00181 6 3S -0.53679 0.05570 0.02721 -0.27066 0.03540 7 3PX 0.21356 0.23396 0.23733 0.01333 0.08461 8 3PY 0.04340 0.07098 -0.36984 0.12637 -0.02117 9 3PZ -0.05074 0.39856 -0.37562 0.05299 -0.05080 10 4XX 0.00223 -0.01967 -0.01725 -0.01196 -0.00269 11 4YY -0.01346 0.00858 -0.01022 0.02164 -0.00156 12 4ZZ 0.01500 0.00801 0.01918 -0.01414 0.01086 13 4XY -0.00431 0.00738 0.00796 0.00538 0.00435 14 4XZ 0.01027 0.00442 -0.00668 -0.00027 -0.00588 15 4YZ 0.01278 -0.01708 -0.01138 -0.00114 0.00449 16 2 C 1S -0.00428 -0.01030 0.01540 0.02664 0.03456 17 2S -0.39471 0.04323 0.00166 -0.18668 -0.17343 18 2PX 0.18480 -0.25291 -0.05474 0.09229 0.05142 19 2PY -0.21597 -0.34836 0.18199 -0.02891 -0.00819 20 2PZ 0.05519 -0.07341 0.15157 -0.05795 0.03013 21 3S -0.52380 1.05431 0.07140 -0.03673 0.87662 22 3PX 0.57118 -0.55154 0.37203 0.40893 -0.34505 23 3PY -1.07289 -1.13575 0.85955 -0.09307 -0.03865 24 3PZ 0.11292 -0.25316 0.18575 0.03972 -0.02726 25 4XX -0.05458 0.01368 0.01697 -0.02755 0.00792 26 4YY -0.07382 0.02464 0.01755 0.03654 0.06051 27 4ZZ 0.02886 -0.01416 -0.01623 -0.01602 -0.02884 28 4XY -0.01449 -0.03081 0.01065 0.01007 0.01590 29 4XZ -0.03556 -0.00303 -0.01364 0.01045 0.00585 30 4YZ -0.00936 0.00608 0.00906 -0.01691 0.02254 31 3 C 1S -0.01692 0.05955 -0.02346 -0.02146 -0.01243 32 2S -0.34998 0.05922 0.11016 -0.13791 -0.12823 33 2PX -0.18476 0.05499 0.01810 0.12829 0.32338 34 2PY -0.18585 -0.10999 0.14024 0.08792 0.16331 35 2PZ -0.01079 -0.23180 0.18873 0.28703 -0.06985 36 3S 1.43397 -1.05975 0.09461 0.50605 -0.45843 37 3PX -1.03519 -1.22644 0.82214 -0.23730 -0.26971 38 3PY 0.60735 -1.05284 0.31436 0.16935 -0.66411 39 3PZ -0.24178 -0.00401 -0.11981 -0.24116 0.01240 40 4XX -0.02647 0.05522 -0.01620 -0.00675 -0.03626 41 4YY -0.03057 0.03172 -0.00732 -0.05127 -0.05163 42 4ZZ 0.00927 -0.03022 0.01533 0.01656 0.02876 43 4XY -0.00227 0.01048 -0.00362 0.00079 -0.00413 44 4XZ -0.00262 0.02792 -0.00138 -0.02642 -0.00246 45 4YZ 0.00341 -0.00376 0.01178 0.00857 -0.01665 46 4 C 1S 0.03154 -0.05821 0.01214 -0.01351 -0.04839 47 2S -0.31186 0.18540 0.10347 -0.17647 -0.14250 48 2PX -0.02398 0.15044 -0.04172 -0.11177 -0.12021 49 2PY -0.13495 0.10152 0.09299 0.06559 0.28949 50 2PZ -0.12291 -0.01777 -0.19072 0.37394 -0.21476 51 3S -1.01677 0.73736 -0.02751 -0.09598 0.79306 52 3PX -1.37448 -0.64279 0.64057 -0.06986 0.43473 53 3PY 0.02328 1.53103 -0.66503 -0.26879 0.06726 54 3PZ -0.10065 0.01668 0.28717 -0.42509 0.30172 55 4XX -0.02402 -0.01064 0.02105 -0.04262 -0.03796 56 4YY -0.03232 -0.02307 0.02648 -0.04895 -0.06304 57 4ZZ 0.00415 0.02093 -0.01262 0.03280 0.03185 58 4XY 0.02368 0.00199 -0.01130 -0.01502 -0.00818 59 4XZ -0.00349 -0.02141 0.01146 0.00821 -0.02807 60 4YZ -0.00542 -0.00487 -0.01531 0.01118 -0.02085 61 5 C 1S -0.04627 0.03046 0.01303 0.00555 0.05514 62 2S -0.22202 0.04581 0.10072 -0.23875 -0.26996 63 2PX 0.05177 0.04435 0.01172 -0.08688 -0.13601 64 2PY 0.20432 0.35562 -0.21804 0.00913 0.04120 65 2PZ -0.11378 0.07386 -0.32335 0.14578 -0.09432 66 3S 1.42022 -0.95987 -0.11714 0.60903 -0.18962 67 3PX 1.06435 -0.46758 -0.21325 0.20364 -0.48214 68 3PY 0.38975 1.18253 -0.47818 -0.01163 0.18285 69 3PZ 0.31213 -0.02453 0.20321 -0.11810 0.00292 70 4XX -0.01939 0.00018 0.01833 -0.03794 -0.01925 71 4YY -0.05326 0.02451 0.03052 0.01446 0.05049 72 4ZZ 0.01857 -0.00899 -0.01682 -0.00038 -0.02478 73 4XY -0.00907 -0.00597 0.01131 0.01465 0.01616 74 4XZ -0.01836 0.00530 -0.01563 0.00144 -0.00066 75 4YZ -0.00600 0.00529 0.01122 -0.01722 0.02123 76 6 C 1S 0.05769 -0.00462 -0.02743 -0.01144 -0.04948 77 2S -0.38310 0.03340 0.13914 -0.18542 -0.13377 78 2PX -0.06247 -0.11806 0.04032 -0.05821 -0.24962 79 2PY 0.21459 -0.01417 -0.10166 -0.04025 -0.19836 80 2PZ -0.08979 0.08322 -0.16454 -0.24959 0.09250 81 3S -0.95619 0.87685 -0.03767 -0.11228 0.78392 82 3PX 0.41795 1.73491 -0.66260 -0.00036 0.56057 83 3PY 1.12875 -0.17182 -0.30967 0.32026 -0.20131 84 3PZ 0.26523 0.19574 0.06694 0.22931 -0.05650 85 4XX -0.02206 0.02880 -0.01096 -0.02206 -0.04289 86 4YY -0.00091 0.01175 -0.01754 -0.05222 -0.06760 87 4ZZ -0.01040 -0.01000 0.02156 0.01677 0.04098 88 4XY -0.00340 0.01794 -0.00783 0.00155 0.00346 89 4XZ 0.00481 0.01712 0.00788 -0.03596 -0.00205 90 4YZ 0.00392 -0.00344 0.00654 0.00986 -0.01831 91 7 C 1S -0.05355 -0.01131 0.01657 -0.02132 -0.01211 92 2S -0.34607 0.04118 0.06000 -0.14162 -0.12010 93 2PX -0.06931 -0.00611 0.00179 0.17023 0.20466 94 2PY 0.08204 -0.20069 -0.05256 -0.17745 -0.26861 95 2PZ 0.07493 0.15037 0.20816 -0.47001 0.26754 96 3S 1.77640 -0.77759 -0.33151 0.49127 -0.43479 97 3PX 0.05251 1.47171 -0.50780 -0.38639 0.17889 98 3PY -1.25664 -0.38927 0.66904 -0.01603 0.55873 99 3PZ -0.22373 0.06230 -0.35355 0.47776 -0.21248 100 4XX -0.06254 -0.03280 0.02381 -0.03048 -0.02343 101 4YY -0.04798 -0.01848 0.00946 -0.04748 -0.04924 102 4ZZ 0.02687 0.01220 -0.01295 0.03113 0.02062 103 4XY 0.01575 0.02317 -0.01182 -0.01546 -0.00358 104 4XZ -0.02322 -0.01803 0.00122 0.01847 -0.02659 105 4YZ -0.01174 -0.00400 -0.01622 0.01307 -0.01729 106 8 H 1S -0.15792 -0.06633 0.01476 -0.16625 -0.20698 107 2S 0.23071 -0.28390 0.02593 0.15792 -0.16341 108 9 H 1S 0.09342 0.01328 -0.09477 -0.18213 -0.28336 109 2S -0.52281 0.28628 0.12248 -0.09804 0.22740 110 10 H 1S -0.10636 0.05281 0.04042 -0.10348 0.02110 111 2S 0.32954 -0.25726 -0.00027 0.06145 -0.23726 112 11 H 1S 0.02175 -0.14641 0.04696 -0.18679 -0.28226 113 2S -0.45716 0.40774 0.01074 -0.08696 0.22815 114 12 H 1S -0.05290 0.13584 -0.06389 -0.17872 -0.20393 115 2S 0.25362 -0.24180 0.08553 0.16999 -0.18586 116 13 C 1S -0.01772 0.02080 -0.04237 0.00837 -0.00721 117 2S -0.11373 -0.00748 0.05417 0.05883 -0.01932 118 2PX 0.15073 0.02212 -0.02419 -0.14830 0.07460 119 2PY -0.01544 0.03780 0.21934 0.27117 -0.21106 120 2PZ -0.04020 0.04539 0.23632 0.05848 -0.05325 121 3S 0.19014 0.12750 -0.07129 -0.02739 -0.03488 122 3PX -0.34411 -0.12957 -0.08128 0.17133 -0.03864 123 3PY 0.05967 0.23199 0.09509 -0.24169 0.13926 124 3PZ -0.16322 -0.23595 -0.16887 0.14231 -0.08258 125 4XX -0.02849 0.05869 -0.02624 0.02527 -0.01709 126 4YY 0.01316 -0.01225 0.02058 -0.01440 0.00981 127 4ZZ -0.03136 -0.01161 -0.03212 0.02320 -0.01170 128 4XY -0.00547 0.00535 -0.01608 0.00100 -0.00011 129 4XZ -0.03108 -0.01866 -0.01114 0.01243 -0.00722 130 4YZ 0.00498 -0.01064 0.02255 -0.00330 0.00656 131 14 C 1S 0.00584 -0.00618 0.01061 -0.00445 0.00363 132 2S -0.08322 0.06437 -0.10468 0.06733 -0.04426 133 2PX 0.12828 -0.27614 0.19447 -0.18279 0.15573 134 2PY -0.04780 0.32821 0.27623 0.16875 -0.18135 135 2PZ 0.21057 0.12662 0.33486 0.07116 -0.08790 136 3S 0.22595 0.08875 0.12045 -0.14390 0.05276 137 3PX -0.17021 0.43424 -0.11471 0.27245 -0.22081 138 3PY 0.06042 -0.76228 -0.64886 -0.34998 0.39868 139 3PZ -0.38276 -0.22772 -0.67537 -0.22015 0.23898 140 4XX -0.00052 0.00143 0.00457 -0.00595 0.00307 141 4YY -0.02184 -0.04493 -0.05467 -0.02007 0.02486 142 4ZZ 0.01773 0.04876 0.04629 0.02985 -0.03000 143 4XY -0.00712 0.02220 0.01455 0.01051 -0.00979 144 4XZ 0.03161 0.01531 0.00861 -0.01555 0.00657 145 4YZ 0.02484 -0.01528 -0.00108 -0.01358 0.01028 146 15 H 1S -0.13447 0.01450 -0.00055 0.07567 -0.04988 147 2S 0.01648 0.07572 0.02213 -0.02104 -0.01095 148 16 H 1S 0.15692 0.15169 0.24616 0.07231 -0.09115 149 2S 0.00870 -0.00778 0.19250 0.09991 -0.08828 150 17 H 1S -0.02101 -0.26911 -0.23219 -0.13885 0.14178 151 2S 0.00993 -0.21533 -0.18207 -0.11833 0.12906 152 18 H 1S -0.25496 -0.06202 -0.27946 0.10042 -0.04752 153 2S -0.18037 -0.11463 -0.01029 0.09710 -0.03844 154 19 H 1S 0.05600 -0.01134 0.12478 -0.06151 0.03504 155 2S -0.06101 -0.16702 0.20132 0.01418 -0.01054 156 20 H 1S -0.06072 -0.02000 -0.09006 0.04620 -0.00295 157 2S 0.11808 0.14568 -0.29037 -0.02964 0.07867 66 67 68 69 70 V V V V V Eigenvalues -- 0.61769 0.61944 0.62783 0.63596 0.66021 1 1 C 1S -0.01018 0.00386 0.00229 -0.00700 -0.04333 2 2S -0.00019 0.06299 0.06522 -0.05575 -0.10298 3 2PX -0.03792 0.16297 -0.14188 -0.04947 0.02837 4 2PY -0.02114 0.15496 0.19449 -0.20349 0.09453 5 2PZ 0.00433 -0.07196 -0.18078 0.13870 0.03301 6 3S 0.22208 -0.28340 0.07600 0.25766 1.16181 7 3PX -0.01600 0.07033 0.26539 -0.16844 -0.12084 8 3PY 0.24247 0.00473 -0.51233 0.19910 0.06219 9 3PZ -0.16113 0.20067 0.33460 -0.32088 -0.26339 10 4XX -0.00732 0.01992 0.00161 -0.00893 -0.02623 11 4YY -0.01008 -0.03598 -0.00879 0.03802 -0.00987 12 4ZZ 0.00651 0.02587 0.01851 -0.03307 -0.00172 13 4XY 0.02685 0.02825 0.00068 -0.02019 0.02853 14 4XZ 0.00398 0.01791 -0.02141 -0.00470 0.00579 15 4YZ 0.00531 -0.00344 -0.02859 0.02376 0.03244 16 2 C 1S 0.00071 0.00069 -0.00118 -0.00661 -0.01182 17 2S 0.15100 -0.08604 0.12260 -0.03873 -0.25867 18 2PX -0.14753 0.09983 -0.18873 -0.08403 -0.32561 19 2PY 0.06708 -0.22276 -0.14619 -0.20063 0.27936 20 2PZ -0.01075 0.04984 -0.01119 -0.13403 -0.08782 21 3S -0.14842 -0.02834 0.55476 -0.04820 0.23612 22 3PX -0.03802 0.09384 0.03489 -0.19652 -0.76940 23 3PY -0.41151 -1.03570 0.45027 1.15289 -0.41202 24 3PZ -0.04316 -0.18355 0.02605 0.23878 -0.01870 25 4XX 0.00649 -0.02620 0.04202 -0.00928 -0.02704 26 4YY 0.02371 0.00827 0.01438 -0.01925 -0.06718 27 4ZZ -0.00412 -0.00104 -0.01535 0.01233 0.02213 28 4XY -0.01567 -0.03121 -0.00534 0.00043 -0.00701 29 4XZ 0.00547 -0.01296 -0.00441 0.00588 -0.01771 30 4YZ 0.00913 -0.00485 -0.00708 -0.00315 -0.00156 31 3 C 1S 0.01312 -0.03006 0.03692 0.04235 0.00021 32 2S 0.02148 0.16971 0.15681 0.27658 -0.23952 33 2PX -0.07645 -0.46527 0.01352 -0.04431 -0.25347 34 2PY -0.00199 -0.05957 -0.04325 0.00960 -0.00831 35 2PZ -0.13407 -0.12471 0.20577 -0.03872 -0.33558 36 3S 0.01752 0.37972 -0.40348 -0.76228 -0.73893 37 3PX -0.18947 -0.95965 0.10779 1.19891 0.71283 38 3PY -0.17065 0.05229 -0.26318 0.04558 -0.70155 39 3PZ 0.05902 -0.07377 -0.13498 0.16460 0.41507 40 4XX 0.02700 -0.01925 0.05047 0.05663 -0.05173 41 4YY 0.00479 0.01252 0.04975 0.07533 -0.03962 42 4ZZ -0.00826 0.01285 -0.03184 -0.03798 0.01540 43 4XY 0.01281 0.01753 0.00427 -0.00176 0.01923 44 4XZ 0.01593 -0.00292 0.00336 0.01805 -0.01435 45 4YZ -0.00573 0.00399 0.02416 0.00502 -0.00533 46 4 C 1S 0.01538 0.06120 -0.00953 0.01865 -0.00486 47 2S -0.25984 0.25187 0.05662 0.29763 -0.04296 48 2PX 0.22839 -0.30779 0.10801 0.26310 -0.12920 49 2PY -0.28646 0.18412 -0.17017 -0.16190 0.04741 50 2PZ -0.18585 -0.00182 0.42285 -0.07446 0.12097 51 3S 0.48725 -0.55064 0.43999 0.03226 1.11098 52 3PX -0.60773 -1.02407 0.13169 0.74045 0.68049 53 3PY 0.56242 0.59323 0.51008 -0.42175 0.28184 54 3PZ 0.17302 -0.18301 -0.48709 0.26819 -0.01316 55 4XX -0.01824 0.10018 -0.01414 0.04549 0.02883 56 4YY 0.00851 0.06725 0.02440 0.07539 -0.00444 57 4ZZ -0.01037 -0.05243 0.00382 -0.02997 -0.00621 58 4XY -0.03413 -0.01142 -0.01028 -0.00234 -0.04507 59 4XZ -0.01607 0.02835 0.01747 0.01186 -0.00121 60 4YZ -0.01075 0.01099 0.00422 0.01181 0.01370 61 5 C 1S -0.05618 0.02051 -0.00730 0.00592 0.01151 62 2S -0.38850 0.16184 -0.12021 0.03479 0.10694 63 2PX 0.00768 -0.11819 0.02929 -0.07432 0.03242 64 2PY -0.21748 -0.34154 -0.09349 -0.37393 -0.05668 65 2PZ 0.02474 -0.01116 -0.25542 0.08314 0.30952 66 3S 0.25752 0.13834 -0.42140 -0.16398 -0.60259 67 3PX -0.00755 0.70524 -0.43258 -0.29252 -0.55483 68 3PY 0.70238 1.84977 0.22441 -0.62354 0.27393 69 3PZ 0.00792 0.21854 0.23836 -0.24851 -0.53765 70 4XX -0.10013 0.05692 -0.02273 0.00607 -0.01772 71 4YY -0.11577 0.03976 -0.03855 0.00015 0.02607 72 4ZZ 0.06537 -0.02788 0.00946 0.00166 0.00235 73 4XY 0.00773 0.01135 0.00984 0.03056 0.01597 74 4XZ -0.02661 0.01956 -0.03056 0.01437 0.01134 75 4YZ -0.00129 0.00549 -0.02758 0.01093 -0.00885 76 6 C 1S -0.03732 -0.03854 -0.02857 -0.02008 -0.01613 77 2S -0.31578 -0.00558 -0.15685 -0.31137 0.08711 78 2PX 0.45421 -0.00012 0.18254 -0.41434 0.06880 79 2PY 0.12503 -0.08396 0.08210 -0.09171 -0.03451 80 2PZ 0.31751 -0.03365 -0.48346 0.07778 -0.23534 81 3S 0.39944 -0.57611 0.68234 0.62165 0.87682 82 3PX -0.10242 1.30343 -0.03366 -0.45919 0.39149 83 3PY -0.05584 0.67264 -0.50351 -0.28558 -0.44031 84 3PZ -0.28808 0.29376 0.60386 -0.28138 0.47758 85 4XX -0.08420 -0.07980 -0.03173 -0.02150 0.02774 86 4YY -0.05904 -0.02102 -0.03991 -0.07860 -0.00833 87 4ZZ 0.03958 0.03498 0.02498 0.02141 0.00061 88 4XY 0.03072 -0.02786 0.00727 -0.00490 0.02524 89 4XZ -0.01915 -0.02895 -0.00437 -0.01230 0.00020 90 4YZ -0.01660 -0.00808 0.02781 -0.02198 -0.00156 91 7 C 1S 0.04157 -0.00734 0.00818 -0.03845 0.02738 92 2S -0.07703 -0.13624 -0.06657 -0.39299 -0.10143 93 2PX 0.27080 0.37426 0.10064 -0.08302 -0.08359 94 2PY -0.14194 -0.25049 -0.02661 0.10643 0.12355 95 2PZ 0.09214 -0.00705 0.18677 -0.09656 0.00493 96 3S 0.00662 0.20409 -0.53421 0.35441 -0.43143 97 3PX 0.08552 0.30275 0.19573 -0.39985 0.96040 98 3PY 0.02263 -0.75024 0.37139 0.70419 0.12915 99 3PZ -0.00443 0.07978 -0.26869 0.08857 0.01792 100 4XX 0.05555 0.00401 -0.00964 -0.09304 -0.01336 101 4YY 0.01600 -0.04409 -0.01519 -0.07257 0.03592 102 4ZZ -0.02995 0.01186 0.00610 0.03829 -0.01717 103 4XY -0.02264 0.01968 0.00131 -0.01083 -0.01994 104 4XZ 0.00586 0.00448 0.01129 -0.03453 -0.00245 105 4YZ -0.00513 -0.00193 -0.00177 -0.00670 -0.00263 106 8 H 1S 0.09361 0.02654 -0.03933 -0.33915 -0.01973 107 2S -0.03589 0.10682 -0.18035 -0.16912 -0.40492 108 9 H 1S -0.27938 -0.10227 -0.13884 -0.21841 -0.10510 109 2S 0.01356 -0.11773 0.20224 0.06116 0.30383 110 10 H 1S -0.39435 0.19208 -0.09615 -0.00059 -0.04500 111 2S -0.03958 0.08810 -0.17213 -0.04057 -0.16803 112 11 H 1S -0.06858 0.32060 -0.00470 0.17681 -0.09279 113 2S 0.00165 -0.10910 0.18221 0.09616 0.31236 114 12 H 1S -0.00935 -0.05131 0.16684 0.26436 -0.18888 115 2S 0.00089 0.18039 -0.15719 -0.12217 -0.35444 116 13 C 1S 0.00581 0.01749 0.00341 -0.01164 -0.00158 117 2S 0.04912 0.03367 0.01536 -0.07230 -0.10446 118 2PX -0.08896 -0.04582 0.08151 0.09350 0.36253 119 2PY 0.12735 0.09984 -0.45478 -0.05607 -0.05210 120 2PZ 0.04034 0.03645 0.01707 -0.14512 -0.06354 121 3S -0.20350 0.03706 0.11018 -0.07188 -0.34502 122 3PX 0.27579 -0.02900 -0.18964 -0.00016 -0.29934 123 3PY -0.02921 -0.07714 0.57198 0.00304 0.40919 124 3PZ -0.06020 -0.17499 -0.27795 0.27221 -0.49813 125 4XX 0.00725 0.02749 0.01411 -0.02767 -0.04565 126 4YY -0.00536 -0.00384 0.01358 -0.00065 0.01400 127 4ZZ 0.01309 0.01070 -0.02280 -0.00757 -0.01424 128 4XY 0.00514 0.02441 0.00571 -0.02993 -0.00693 129 4XZ 0.01164 -0.00647 -0.02538 0.00707 -0.03278 130 4YZ -0.00015 -0.01764 -0.01109 0.01797 -0.00430 131 14 C 1S -0.00211 -0.00703 0.00002 0.00621 0.01680 132 2S 0.03370 0.04229 -0.03389 -0.02862 -0.13436 133 2PX -0.05906 -0.14350 0.06120 0.09863 0.31703 134 2PY 0.08657 -0.07701 -0.04142 0.06773 0.24442 135 2PZ -0.04462 -0.06845 -0.06034 0.03976 -0.21105 136 3S -0.13152 0.06269 0.17040 -0.06831 0.23621 137 3PX 0.10296 0.12523 -0.08638 -0.10199 -0.60708 138 3PY -0.20795 0.14273 0.04468 -0.13220 -0.68591 139 3PZ 0.11684 0.13800 0.19245 -0.09404 0.65215 140 4XX -0.00289 -0.00316 0.00076 0.00301 0.01559 141 4YY -0.00196 0.00363 0.00923 -0.00231 -0.00580 142 4ZZ 0.00650 -0.00245 -0.01423 0.00292 -0.00850 143 4XY 0.00377 -0.01688 -0.00335 0.01896 0.02056 144 4XZ -0.00998 0.01032 0.02108 -0.00747 0.02560 145 4YZ -0.01575 0.00475 0.00771 -0.00620 -0.04758 146 15 H 1S 0.06988 -0.07068 -0.09685 0.09180 0.19521 147 2S 0.04213 0.03378 0.05135 -0.01749 0.41453 148 16 H 1S -0.01426 -0.00671 -0.02596 -0.00043 -0.02973 149 2S -0.00001 -0.07220 -0.12032 0.05510 -0.17067 150 17 H 1S -0.04893 0.03889 0.06431 -0.04224 -0.06676 151 2S -0.06516 -0.02152 0.02764 0.03456 -0.01942 152 18 H 1S 0.06682 0.02230 -0.09506 -0.01269 -0.11248 153 2S 0.03053 -0.09298 -0.14276 0.10821 -0.25718 154 19 H 1S 0.06149 0.08456 -0.01990 -0.10268 -0.02503 155 2S -0.01615 -0.15071 -0.09327 0.13337 -0.15948 156 20 H 1S -0.05497 -0.14352 -0.03739 0.15947 -0.14123 157 2S 0.10490 0.25346 -0.09197 -0.13549 -0.21650 71 72 73 74 75 V V V V V Eigenvalues -- 0.66763 0.69762 0.71616 0.72949 0.77431 1 1 C 1S -0.01802 0.00984 0.02504 -0.00943 -0.00473 2 2S -0.05079 -0.09706 -0.17103 0.20543 0.05094 3 2PX 0.18326 -0.07962 -0.00471 0.08305 0.28008 4 2PY 0.02095 0.15813 -0.25081 0.11094 0.08168 5 2PZ -0.08952 0.08388 0.26943 -0.39285 0.03313 6 3S 0.98097 0.72443 0.87081 -0.83462 0.33419 7 3PX -0.49913 0.48276 -0.24885 -0.61523 -0.82629 8 3PY 0.26348 -0.49928 0.87796 -0.20846 -0.01133 9 3PZ -0.12726 -0.22355 -1.21087 1.19943 -0.42740 10 4XX 0.01411 0.00044 0.03323 0.02400 0.01898 11 4YY 0.02216 -0.02407 0.00682 0.04307 0.02295 12 4ZZ -0.03993 0.03105 -0.01790 -0.06378 -0.02771 13 4XY 0.02477 0.01797 0.02389 -0.00566 -0.01493 14 4XZ -0.01766 -0.05198 -0.00397 0.03320 -0.02015 15 4YZ 0.00019 -0.04348 0.01465 0.01235 0.00304 16 2 C 1S -0.01475 -0.00928 -0.01637 0.00910 0.00650 17 2S -0.08652 -0.04840 0.27237 0.07246 -0.01348 18 2PX -0.01214 -0.10544 0.27501 -0.04771 0.21105 19 2PY 0.10242 -0.03285 0.12271 0.02046 -0.15057 20 2PZ -0.27944 0.03980 0.00646 0.40935 -0.48318 21 3S -0.29676 0.24071 -0.67688 -0.03926 -0.00821 22 3PX -0.80638 0.34049 -0.94262 -0.36345 -0.91236 23 3PY -0.16654 0.47036 -0.31262 -0.27647 0.53517 24 3PZ 0.31019 0.09086 0.20718 -0.87768 1.14999 25 4XX -0.03598 -0.00723 -0.00800 0.03409 -0.02179 26 4YY -0.03254 -0.01750 0.01996 0.01233 0.02618 27 4ZZ 0.02010 0.00320 0.01503 -0.01217 -0.00478 28 4XY -0.00728 -0.00059 -0.01731 -0.00178 0.01927 29 4XZ -0.00298 0.00171 0.00390 -0.00492 -0.00389 30 4YZ -0.01112 -0.02482 0.02271 -0.01176 0.01740 31 3 C 1S -0.00538 0.00159 -0.01213 0.00059 0.00395 32 2S -0.17733 -0.06721 -0.07844 0.00052 0.12000 33 2PX -0.30091 -0.08550 -0.09665 -0.11788 0.03714 34 2PY -0.07520 -0.05966 -0.03864 -0.00380 0.08272 35 2PZ 0.36050 0.41575 -0.16630 0.20079 0.28282 36 3S -0.25481 0.33981 -0.39088 -0.46395 0.10165 37 3PX 0.55047 0.29682 0.29152 0.13791 -0.07943 38 3PY -0.29879 0.16406 -0.16195 -0.32203 -0.18454 39 3PZ -0.50791 -0.73287 0.13930 -0.24334 -0.88802 40 4XX -0.03139 -0.00547 -0.02721 -0.01859 0.02926 41 4YY -0.02968 0.00482 -0.02132 -0.01101 0.01083 42 4ZZ 0.01021 0.00019 0.01388 0.00992 -0.01193 43 4XY 0.01542 0.00962 -0.00258 -0.00308 -0.00494 44 4XZ -0.02079 0.00613 -0.02065 0.01909 0.00312 45 4YZ 0.00449 0.01211 -0.01043 -0.00307 0.00127 46 4 C 1S 0.00531 -0.00424 0.00935 -0.00067 0.00407 47 2S -0.06201 -0.01360 -0.14245 -0.01716 0.03983 48 2PX -0.12337 0.05483 -0.11010 0.02176 0.09645 49 2PY 0.05496 0.06884 0.01512 0.00778 0.04702 50 2PZ 0.04210 -0.52227 -0.02676 -0.30995 -0.21245 51 3S 0.57202 0.13157 0.33276 0.34481 -0.30446 52 3PX 0.30548 -0.07450 0.26268 0.03461 -0.46248 53 3PY 0.09004 -0.07297 -0.10002 0.16214 -0.16061 54 3PZ -0.08915 1.02546 0.12833 0.60012 0.63765 55 4XX 0.01684 -0.00574 0.01180 0.01400 0.00033 56 4YY -0.00231 -0.00122 -0.01413 -0.00043 -0.00377 57 4ZZ -0.00621 0.00173 -0.00694 -0.00868 0.00100 58 4XY -0.01692 -0.00104 0.00175 -0.00818 0.01445 59 4XZ 0.01973 -0.00220 0.00655 -0.00804 0.00239 60 4YZ -0.02358 -0.00555 0.00746 -0.01763 0.00530 61 5 C 1S 0.00757 0.00508 0.00621 -0.00148 -0.00961 62 2S 0.04393 0.01640 -0.07665 -0.00042 -0.00264 63 2PX 0.12077 -0.04226 -0.07417 -0.01617 -0.09677 64 2PY 0.02454 -0.00371 -0.04858 -0.01923 0.02719 65 2PZ -0.53664 0.34674 0.19579 0.14697 0.25626 66 3S -0.17631 -0.18069 0.09981 -0.10045 0.14967 67 3PX -0.35417 -0.04851 0.07015 -0.03013 0.51893 68 3PY 0.13052 0.03416 -0.03768 0.22321 0.01422 69 3PZ 0.84841 -0.71898 -0.45723 -0.38657 -0.69955 70 4XX 0.00309 0.00063 0.00566 -0.00634 -0.00479 71 4YY 0.01554 0.00101 -0.00384 0.00089 0.00212 72 4ZZ -0.00719 0.00081 -0.00491 -0.00065 0.00421 73 4XY 0.00598 -0.00847 0.00704 0.00768 -0.00789 74 4XZ -0.01515 0.00479 0.00606 -0.01629 -0.00003 75 4YZ 0.01495 0.00806 -0.00135 0.00398 -0.00046 76 6 C 1S -0.00171 -0.00349 0.00085 -0.00360 0.01006 77 2S -0.00507 0.03355 -0.07291 -0.01599 -0.00634 78 2PX -0.10612 0.03350 -0.04261 0.02423 0.10686 79 2PY -0.04833 0.01930 -0.00629 0.01546 0.02333 80 2PZ 0.35514 0.01893 -0.31286 -0.18274 -0.30578 81 3S 0.40877 0.13101 0.10741 0.23432 -0.21875 82 3PX 0.46012 0.00165 -0.12046 0.21140 -0.28364 83 3PY -0.04660 -0.21770 -0.00251 -0.07942 0.07018 84 3PZ -0.57973 0.02817 0.66552 0.33903 0.90203 85 4XX 0.00683 0.01167 -0.01392 -0.00392 0.00008 86 4YY -0.00410 0.00456 -0.00316 -0.00350 0.01263 87 4ZZ 0.00318 -0.00446 -0.00075 0.00278 -0.00817 88 4XY 0.00256 0.00864 -0.00603 -0.00214 -0.02095 89 4XZ 0.01829 -0.00751 -0.00398 -0.00186 -0.00204 90 4YZ 0.00349 -0.00555 -0.00258 0.01621 -0.00376 91 7 C 1S 0.00787 0.00357 0.00404 0.00557 -0.00287 92 2S -0.08595 -0.01100 0.06633 0.01644 -0.01574 93 2PX -0.08823 0.06456 -0.01125 -0.00008 -0.14932 94 2PY 0.06357 0.11394 0.04213 -0.08163 -0.20696 95 2PZ 0.10906 -0.32667 0.33834 -0.01214 0.43911 96 3S -0.19584 -0.35252 0.06338 -0.07346 -0.28550 97 3PX 0.56949 -0.07564 0.13706 0.32990 0.22729 98 3PY 0.03763 0.02720 0.14874 0.08154 0.55303 99 3PZ -0.00265 0.43864 -0.68410 0.21931 -1.13565 100 4XX -0.01399 -0.00722 0.00180 -0.00316 0.01572 101 4YY 0.00952 -0.00458 0.03691 0.01432 -0.04155 102 4ZZ -0.00546 0.00665 -0.01108 -0.00464 0.00432 103 4XY -0.00605 -0.00346 -0.00297 0.00573 0.01912 104 4XZ -0.01372 0.00611 0.00178 0.01653 0.00173 105 4YZ 0.00711 0.01616 -0.01501 0.01082 -0.01217 106 8 H 1S -0.02058 -0.02936 0.03286 0.07028 0.05352 107 2S -0.23890 0.00880 -0.15006 -0.24138 -0.14770 108 9 H 1S -0.03361 0.00709 -0.00421 -0.02574 0.07186 109 2S 0.08597 0.11712 -0.05721 0.04531 -0.16510 110 10 H 1S -0.00241 0.02321 0.03613 -0.02872 -0.04527 111 2S -0.05257 -0.07697 -0.02613 -0.01505 0.22150 112 11 H 1S -0.02332 -0.02087 0.04208 -0.01988 0.02370 113 2S 0.09770 0.04075 -0.02756 0.10911 -0.18109 114 12 H 1S -0.12892 -0.00645 -0.07458 -0.03516 0.07347 115 2S -0.19432 -0.02934 -0.07971 -0.11764 -0.11909 116 13 C 1S 0.02119 0.00558 0.00459 0.00965 0.00110 117 2S 0.10929 0.11208 0.07390 0.21522 0.09144 118 2PX -0.06072 -0.17156 -0.39025 0.37076 0.05404 119 2PY -0.18581 -0.48345 -0.43726 0.01972 0.32178 120 2PZ -0.11244 0.24944 -0.23082 -0.41377 0.19708 121 3S -0.35278 -0.19050 -0.45669 -0.09946 -0.09730 122 3PX 0.39621 0.34904 1.22576 -1.01572 -0.03005 123 3PY 0.40157 1.04053 0.75013 -0.58127 -0.40650 124 3PZ -0.00990 -0.87353 0.54857 1.32621 -0.37650 125 4XX 0.00016 0.03793 0.00777 -0.01296 -0.02109 126 4YY -0.01036 0.02069 -0.01846 -0.02422 0.00519 127 4ZZ 0.05349 -0.03594 0.01853 0.10807 0.03194 128 4XY -0.00092 0.00673 -0.02698 0.00417 0.00770 129 4XZ -0.00810 -0.00967 0.06130 -0.01650 -0.02409 130 4YZ -0.03020 -0.01190 0.01434 -0.03200 -0.02002 131 14 C 1S 0.00015 -0.01015 -0.01913 0.02340 0.01536 132 2S 0.03751 0.01445 0.15415 -0.06527 0.03773 133 2PX -0.06028 -0.09950 -0.35271 0.15158 0.08979 134 2PY 0.26550 0.14894 0.20099 0.00784 0.00277 135 2PZ -0.14179 -0.19541 0.13935 0.37459 -0.19908 136 3S -0.23165 0.06230 -0.63314 0.21491 -0.17899 137 3PX -0.00077 0.18965 0.87571 -0.49178 -0.42772 138 3PY -0.67733 -0.49755 -0.54578 0.12493 -0.01013 139 3PZ 0.39686 0.58083 -0.33473 -1.13818 0.59559 140 4XX -0.01595 -0.01479 -0.03101 0.03262 0.00341 141 4YY 0.00273 0.00034 -0.00762 -0.02407 0.03091 142 4ZZ 0.01467 0.00564 0.03543 0.00555 -0.01095 143 4XY 0.01732 -0.00543 0.01586 0.01363 -0.00903 144 4XZ -0.00774 0.02624 -0.04198 -0.02672 0.01442 145 4YZ -0.03999 -0.01569 -0.00952 0.02067 -0.01917 146 15 H 1S 0.18878 -0.10177 0.04113 0.13518 0.15689 147 2S 0.24118 0.25965 -0.18345 -0.24700 0.31397 148 16 H 1S -0.01784 0.01063 -0.02589 0.07580 0.03633 149 2S -0.07525 -0.28599 0.15927 0.55893 -0.16633 150 17 H 1S -0.04534 -0.03311 -0.10247 0.09866 0.11576 151 2S -0.12151 -0.18404 -0.31127 0.09971 0.11378 152 18 H 1S 0.19764 -0.14941 0.13691 0.31694 0.08285 153 2S -0.02540 -0.30655 0.34200 0.32642 -0.16241 154 19 H 1S -0.19099 -0.01642 0.13441 -0.18905 -0.10260 155 2S 0.04651 0.04063 0.44695 -0.20545 0.40751 156 20 H 1S 0.06087 -0.07437 0.18867 0.13000 0.09350 157 2S -0.06747 -0.23705 0.31115 -0.05496 -0.06547 76 77 78 79 80 V V V V V Eigenvalues -- 0.80291 0.81111 0.83522 0.84287 0.84942 1 1 C 1S 0.01877 -0.01851 0.00607 -0.00510 0.01092 2 2S -0.30601 0.06125 0.21211 -0.01852 0.09175 3 2PX 0.25966 -0.02413 0.00328 0.07803 0.03453 4 2PY -0.31321 -0.43441 -0.28067 0.04392 -0.17487 5 2PZ -0.18111 -0.48171 -0.09360 -0.01429 -0.10899 6 3S 2.46434 -0.38997 -1.35243 -0.37435 -0.41876 7 3PX -1.24311 0.17997 0.64919 -0.10627 0.18525 8 3PY 1.36043 1.02864 0.58728 -0.04901 0.48791 9 3PZ 0.27311 1.29879 0.10634 0.07300 0.13052 10 4XX 0.04178 -0.01893 -0.01354 -0.02388 -0.00045 11 4YY 0.00441 -0.00456 -0.02948 0.01099 -0.01652 12 4ZZ -0.02383 0.00632 0.07163 -0.00166 0.03991 13 4XY 0.02307 0.01196 0.01515 0.01105 0.01340 14 4XZ -0.02451 -0.01332 0.00528 -0.00677 0.00686 15 4YZ -0.00944 -0.01251 0.01352 0.00496 0.00969 16 2 C 1S -0.00272 -0.00813 -0.00426 -0.00833 0.00257 17 2S 0.20139 -0.06541 0.08028 0.07713 0.05706 18 2PX 0.26205 -0.21846 -0.09895 -0.15788 0.03486 19 2PY -0.07755 0.14009 0.19506 -0.02691 0.01008 20 2PZ 0.54379 0.13345 -0.16153 0.04800 -0.05690 21 3S -0.47826 -0.80124 -1.04620 -1.76423 0.25597 22 3PX -2.25335 1.00659 1.77563 1.34353 0.27487 23 3PY 0.02729 -0.90968 -1.20291 -0.17258 -0.42257 24 3PZ -1.51931 -0.38669 0.59799 0.02907 0.17838 25 4XX -0.02940 -0.03144 -0.04688 -0.03177 -0.00597 26 4YY 0.04060 -0.03679 0.01366 -0.02626 0.01189 27 4ZZ 0.01413 0.02579 0.01113 0.02533 -0.00081 28 4XY 0.01319 -0.01956 -0.01818 0.03914 0.03870 29 4XZ 0.02075 0.01721 -0.04659 -0.00150 -0.01779 30 4YZ 0.01255 -0.00867 -0.00451 0.00279 0.00948 31 3 C 1S 0.00500 -0.00792 -0.02805 0.01819 -0.00284 32 2S 0.14868 -0.08069 0.20385 -0.08240 0.18818 33 2PX 0.01041 0.00598 0.32483 -0.04093 0.06648 34 2PY 0.15214 -0.24900 -0.70701 0.03840 0.02994 35 2PZ -0.15798 0.10027 0.02812 -0.01826 0.02544 36 3S -1.33200 0.22597 1.21891 1.46283 -1.08180 37 3PX 0.11707 -0.21801 -1.72441 -0.08042 -0.08899 38 3PY -1.08576 0.90084 3.01325 0.59045 -0.73188 39 3PZ 0.56503 -0.04978 -0.23717 0.11150 -0.14945 40 4XX 0.00136 -0.00489 0.07343 0.00545 -0.00719 41 4YY 0.00907 -0.00899 -0.02824 0.05019 -0.02058 42 4ZZ -0.00127 0.01281 0.03183 -0.03379 0.02907 43 4XY -0.01842 0.01503 -0.00262 -0.01419 0.05092 44 4XZ 0.00197 0.00735 0.01107 0.00700 -0.00059 45 4YZ -0.02686 -0.02737 0.01237 -0.00067 0.01250 46 4 C 1S 0.00627 0.00062 0.01788 -0.00644 -0.02717 47 2S -0.06074 0.00201 0.02701 0.02614 0.10983 48 2PX -0.01343 0.06784 0.36376 0.10958 -0.37137 49 2PY 0.00816 0.01978 0.32747 0.13487 -0.51584 50 2PZ 0.04971 -0.11955 0.09709 0.02986 -0.10225 51 3S 0.41529 -0.23451 -2.16197 -1.57997 0.82599 52 3PX 0.31414 -0.21604 -2.06821 -0.89594 1.34645 53 3PY -0.03444 -0.22518 -1.67886 -1.22204 2.27301 54 3PZ -0.23761 0.20932 -0.43928 -0.27202 0.42854 55 4XX 0.02180 -0.01647 -0.05742 0.00951 -0.00181 56 4YY -0.01135 0.01749 0.00981 -0.07365 0.03290 57 4ZZ -0.01120 -0.00198 0.00170 0.02309 0.02072 58 4XY 0.01819 -0.00598 0.03143 -0.01240 -0.05087 59 4XZ 0.00540 -0.01149 -0.00981 -0.00414 -0.00957 60 4YZ -0.01358 -0.02061 0.01609 -0.01387 -0.00399 61 5 C 1S -0.01042 0.00979 0.00885 -0.01726 0.02741 62 2S -0.05792 -0.01176 -0.05680 -0.00252 -0.11765 63 2PX -0.07035 0.06148 -0.12980 -0.60242 0.54529 64 2PY 0.03102 -0.07461 0.00460 0.14596 -0.12921 65 2PZ -0.09971 0.04415 -0.00616 -0.10224 0.09412 66 3S 0.08075 0.26331 1.19626 2.25919 -0.92406 67 3PX 0.15882 -0.15311 1.21565 3.22777 -2.04854 68 3PY -0.15283 0.10717 -0.38044 -0.55399 0.72953 69 3PZ 0.26164 -0.21127 0.15052 0.53600 -0.32533 70 4XX -0.02097 0.01773 0.05130 0.02800 0.07254 71 4YY 0.00527 0.00097 0.00782 0.04057 -0.08684 72 4ZZ 0.00506 -0.01329 -0.02483 -0.00332 -0.02550 73 4XY 0.00775 0.00077 -0.04201 0.04561 0.01562 74 4XZ -0.01877 -0.01125 0.01965 0.00699 0.02380 75 4YZ 0.00692 0.00742 -0.00856 0.01262 -0.00374 76 6 C 1S 0.01069 -0.00496 -0.00563 0.02834 0.02274 77 2S -0.12464 -0.04250 0.01073 -0.05310 -0.13636 78 2PX -0.08577 -0.09147 0.02497 0.24036 0.08248 79 2PY -0.00825 0.00374 -0.07094 -0.77517 -0.25256 80 2PZ -0.02359 -0.17738 0.03644 -0.01986 -0.00056 81 3S 0.66420 0.12604 -1.18052 -2.48610 0.14465 82 3PX 0.26222 0.20201 -0.55098 -1.17270 -0.61044 83 3PY -0.06650 0.10696 0.70069 3.88344 0.48206 84 3PZ -0.08966 0.39573 -0.08927 0.06716 -0.05359 85 4XX 0.01394 0.01153 -0.02231 -0.06677 -0.06940 86 4YY -0.00930 -0.02919 -0.01817 -0.00604 0.09281 87 4ZZ -0.01124 0.00765 0.01465 -0.00747 -0.03413 88 4XY -0.03170 0.01208 0.00080 -0.03240 0.00794 89 4XZ 0.00156 -0.00209 -0.00586 -0.01453 -0.00660 90 4YZ 0.01230 0.02206 -0.01245 -0.00217 0.00865 91 7 C 1S 0.00445 -0.00313 0.00997 -0.01395 -0.02343 92 2S -0.08652 -0.07053 -0.10061 0.02128 -0.00110 93 2PX -0.26178 -0.06871 0.07779 0.36018 0.26543 94 2PY -0.16387 0.19806 0.02938 0.40472 0.20480 95 2PZ -0.07606 0.20577 -0.03604 0.08294 0.05846 96 3S -0.30106 0.69893 1.92188 2.01789 0.63816 97 3PX 1.02027 0.12476 -0.73074 -2.12387 -1.20156 98 3PY 0.72708 -0.89925 -0.59662 -2.12663 -0.72663 99 3PZ 0.57284 -0.29119 -0.18125 -0.44654 -0.30221 100 4XX -0.00720 -0.03578 0.01161 0.07224 0.01179 101 4YY -0.02499 0.02652 0.04260 -0.00475 -0.01447 102 4ZZ 0.00242 0.01461 -0.02879 -0.00362 0.01782 103 4XY 0.00418 -0.02984 -0.00445 -0.00777 -0.04061 104 4XZ 0.02070 0.01919 -0.00672 0.01927 -0.00933 105 4YZ 0.00607 0.00983 -0.00271 0.00200 -0.01517 106 8 H 1S 0.05964 -0.12085 0.06531 -0.16373 -0.24404 107 2S -0.74173 0.35638 0.12823 1.51731 0.97066 108 9 H 1S 0.02667 -0.09319 -0.05030 0.34979 0.25703 109 2S -0.07992 0.08100 -0.21522 -2.25092 -0.76350 110 10 H 1S -0.09537 0.05926 0.10359 -0.21752 0.36073 111 2S 0.24150 -0.21234 0.32694 1.71701 -1.55241 112 11 H 1S 0.04568 0.00410 0.23546 -0.05267 -0.32623 113 2S -0.07338 -0.09135 -1.40512 -0.49647 1.71838 114 12 H 1S 0.07651 -0.11437 -0.32530 0.16825 -0.05622 115 2S -0.48949 0.54214 2.04684 -0.13516 -0.07119 116 13 C 1S -0.00435 0.00046 0.00796 -0.00095 0.00476 117 2S 0.35952 -0.47985 0.31106 -0.01315 0.21261 118 2PX -0.01871 -0.42183 0.31095 -0.02214 0.16405 119 2PY -0.07618 0.25191 -0.16052 0.01329 -0.04017 120 2PZ 0.36172 -0.07515 0.14516 -0.05864 0.17140 121 3S -0.67214 1.40732 -0.94731 0.16456 -0.54080 122 3PX 0.45734 1.03496 -0.79041 0.19207 -0.41684 123 3PY 0.16870 -0.63766 0.22062 -0.03371 0.03907 124 3PZ -1.29237 -0.21698 -0.32710 0.15066 -0.37805 125 4XX 0.01627 0.00431 0.01222 0.00447 0.00709 126 4YY 0.01246 -0.01923 0.01879 -0.00451 0.00528 127 4ZZ 0.02265 -0.04702 0.01765 0.00093 0.01872 128 4XY 0.01140 -0.00749 0.00644 0.00028 -0.00264 129 4XZ -0.03143 -0.04162 0.01846 -0.01450 0.01017 130 4YZ -0.00469 0.00870 -0.02052 0.00109 -0.01692 131 14 C 1S 0.02306 -0.03313 0.02569 0.00083 0.01887 132 2S 0.02878 -0.00533 0.00210 0.03015 0.01892 133 2PX 0.15055 -0.05030 0.06005 0.04387 0.03528 134 2PY 0.21287 -0.28428 -0.00494 -0.01458 -0.08440 135 2PZ -0.43235 -0.23602 0.01246 -0.02848 -0.05816 136 3S -0.30322 -0.37550 0.34297 -0.23806 0.13886 137 3PX -0.56812 0.62212 -0.52535 0.02373 -0.36464 138 3PY -0.56633 0.71401 -0.11109 -0.03447 0.05786 139 3PZ 1.34952 0.75533 -0.18638 0.11363 0.06277 140 4XX -0.00764 -0.07800 0.04633 -0.00775 0.02240 141 4YY 0.00922 0.00504 -0.02558 -0.00436 -0.02184 142 4ZZ 0.02250 0.02196 0.01546 0.01347 0.02564 143 4XY -0.01113 0.03108 0.01203 0.01731 0.02465 144 4XZ 0.05545 0.01091 0.00518 0.00337 0.00638 145 4YZ -0.02462 -0.00279 -0.00003 -0.01883 -0.00719 146 15 H 1S 0.09992 -0.09082 0.12021 0.08001 0.15018 147 2S 0.86397 -0.21417 0.06183 0.00081 0.00673 148 16 H 1S 0.19298 -0.08484 0.19360 0.00248 0.19474 149 2S -0.62143 -0.63852 0.08258 -0.05242 -0.10182 150 17 H 1S 0.11991 -0.32209 0.05828 -0.09814 -0.03255 151 2S 0.05048 0.42403 0.11501 0.12313 0.26311 152 18 H 1S -0.01995 -0.11813 0.12639 -0.02931 0.12355 153 2S -0.45466 -0.01315 -0.21481 0.11770 -0.24420 154 19 H 1S 0.14667 -0.08773 0.26504 -0.01185 0.21994 155 2S -0.33206 -0.79112 -0.30812 0.00739 -0.25478 156 20 H 1S 0.16129 -0.24770 -0.09796 0.06702 -0.01452 157 2S 0.53637 0.67886 0.66452 -0.04719 0.43230 81 82 83 84 85 V V V V V Eigenvalues -- 0.86194 0.86813 0.89318 0.90235 0.92006 1 1 C 1S -0.01049 0.00640 0.00172 0.00437 0.00733 2 2S 0.18941 -0.09660 -0.08266 0.02801 -0.70893 3 2PX 0.16592 0.11870 0.04711 -0.01066 -0.12735 4 2PY 0.20292 0.12221 0.37493 -0.00564 0.11343 5 2PZ 0.28448 -0.05572 0.24969 0.03384 -0.40291 6 3S -0.54987 0.26999 0.47864 -0.65201 2.03697 7 3PX -0.52856 -0.46218 -0.07246 -0.61300 -0.11093 8 3PY -0.37808 -0.20965 -0.81795 -0.33609 -0.17419 9 3PZ -0.43459 -0.05627 -0.60175 -0.10500 0.65388 10 4XX -0.00126 -0.00629 -0.03021 -0.00441 -0.09200 11 4YY 0.07694 -0.01330 0.10017 -0.00985 -0.03424 12 4ZZ -0.05152 0.00893 -0.07519 0.00580 0.04135 13 4XY 0.00258 0.02655 -0.01908 -0.02377 -0.01765 14 4XZ -0.06084 0.02074 -0.02783 0.01869 0.03897 15 4YZ -0.01924 0.02163 -0.02148 0.00466 0.02550 16 2 C 1S -0.00120 0.00045 -0.00475 0.00149 -0.01474 17 2S 0.01858 0.12908 -0.03872 0.01029 -0.03882 18 2PX -0.20281 0.05735 -0.01316 0.09300 0.05191 19 2PY -0.12674 -0.08841 -0.06668 -0.01659 -0.01752 20 2PZ 0.23434 0.01770 0.12290 -0.12516 -0.10366 21 3S -1.17248 -0.34194 0.08207 0.54370 0.18691 22 3PX 1.26019 -0.13949 0.12002 -0.39189 -0.81247 23 3PY 0.53301 0.45755 0.57990 0.54532 0.32953 24 3PZ -0.35361 -0.00941 -0.17424 0.21018 0.01771 25 4XX -0.08025 -0.00873 -0.03247 -0.00443 -0.02509 26 4YY 0.00057 0.02052 0.00975 0.02968 0.00362 27 4ZZ 0.03700 -0.00072 0.00861 -0.02117 0.00170 28 4XY 0.02141 0.02125 -0.00566 -0.00591 0.01166 29 4XZ 0.04321 -0.01556 0.01366 0.00223 -0.03875 30 4YZ 0.00785 0.00835 0.00351 -0.00328 -0.00165 31 3 C 1S -0.01038 0.01392 -0.01670 -0.00337 -0.00374 32 2S -0.01211 -0.21329 0.01473 0.03191 -0.13888 33 2PX 0.12896 -0.10331 0.08381 0.06222 -0.07529 34 2PY -0.23810 0.30763 -0.21483 0.04194 0.12480 35 2PZ -0.09729 -0.00125 -0.06386 0.04318 0.06058 36 3S 1.35497 0.58676 0.65186 0.12987 0.19093 37 3PX -0.53553 0.36784 -0.40686 -0.14651 0.17632 38 3PY 1.31107 -0.62638 0.80584 -0.12146 -0.34365 39 3PZ 0.39512 0.02529 0.19291 -0.15645 -0.17553 40 4XX 0.03769 -0.04147 0.04829 0.00920 -0.00456 41 4YY -0.00512 0.06246 -0.06823 -0.00778 -0.02223 42 4ZZ -0.00570 -0.03890 0.01846 -0.00063 -0.00072 43 4XY 0.04078 -0.03772 0.03455 -0.00475 -0.01080 44 4XZ -0.00079 -0.00117 -0.00184 0.00347 0.01294 45 4YZ -0.02462 0.00652 -0.01016 0.00646 0.00656 46 4 C 1S 0.00845 0.01965 0.00068 0.00082 0.00430 47 2S -0.07682 -0.32724 0.07611 -0.00821 -0.22148 48 2PX 0.16567 0.16475 0.07329 0.02569 0.20048 49 2PY 0.17537 0.34359 -0.04440 -0.00252 0.19615 50 2PZ 0.05918 0.05993 0.03421 0.00206 0.02752 51 3S -0.40398 0.50376 -0.16127 -0.05049 0.70946 52 3PX -0.81339 -0.13675 -0.66509 -0.13243 -0.38970 53 3PY -0.50059 -0.94661 0.28674 0.11402 -0.24606 54 3PZ -0.33017 -0.10672 -0.20784 0.02171 0.01118 55 4XX -0.03964 0.00137 -0.02019 -0.00609 -0.00557 56 4YY 0.03081 0.00024 0.01727 0.00392 0.00162 57 4ZZ -0.01252 -0.04005 0.00521 -0.00167 -0.02778 58 4XY 0.03534 0.09808 -0.02270 0.01099 0.04152 59 4XZ 0.00296 0.01523 -0.00085 -0.00007 -0.00073 60 4YZ -0.00549 0.02163 -0.00636 0.00982 0.01406 61 5 C 1S 0.02061 0.00779 0.00210 0.00186 0.00308 62 2S -0.13122 -0.12399 -0.04797 -0.01657 -0.27961 63 2PX 0.34621 0.17668 0.08043 0.05236 0.27971 64 2PY -0.02781 0.07971 -0.10576 -0.01212 -0.07531 65 2PZ 0.02409 0.03325 -0.01538 0.01561 0.05175 66 3S 0.33631 0.07881 0.01178 -0.26862 0.54439 67 3PX -0.69619 -0.60457 -0.06571 -0.15594 -0.47555 68 3PY -0.02453 -0.71499 0.67661 -0.04948 0.20729 69 3PZ -0.02817 -0.14116 0.12117 -0.04503 -0.10650 70 4XX 0.07239 0.01212 0.02103 0.01702 0.03638 71 4YY -0.04226 -0.01521 -0.02022 -0.01663 -0.04919 72 4ZZ -0.03830 -0.01504 -0.00817 -0.00526 -0.02726 73 4XY -0.05028 -0.04360 -0.00859 -0.00997 -0.02320 74 4XZ 0.00813 0.00279 0.00325 0.00940 0.01258 75 4YZ 0.00001 -0.00816 0.00093 -0.00713 -0.01131 76 6 C 1S -0.00014 -0.01526 0.00277 0.00126 0.00457 77 2S 0.00781 0.21284 -0.12138 0.04166 -0.27421 78 2PX 0.10705 -0.01517 0.02917 0.09233 0.08500 79 2PY 0.02382 0.35489 -0.11482 -0.02598 -0.27440 80 2PZ -0.02666 0.03423 0.00980 0.03454 0.00772 81 3S -0.48219 -0.33745 0.22495 -0.20117 0.82189 82 3PX -0.60496 -0.46753 0.35651 -0.45121 -0.06203 83 3PY 0.03084 -1.01620 0.09746 -0.18024 0.34559 84 3PZ -0.06599 -0.18189 -0.00267 -0.13350 0.00124 85 4XX -0.02235 0.02975 -0.02353 -0.01826 -0.03605 86 4YY 0.01959 -0.03712 0.03777 0.03299 0.03374 87 4ZZ 0.00269 0.03297 -0.01979 -0.00856 -0.03274 88 4XY 0.02241 0.06279 -0.04420 -0.00898 -0.03734 89 4XZ -0.00596 0.00379 -0.00417 -0.00031 -0.00291 90 4YZ 0.01830 0.00386 -0.00152 -0.00410 -0.00151 91 7 C 1S -0.01814 -0.02188 0.01188 0.00587 0.00101 92 2S 0.04248 0.36536 -0.07731 0.06484 -0.17028 93 2PX 0.23774 0.34164 -0.13592 0.07756 -0.16817 94 2PY 0.19270 0.27433 -0.24923 -0.14022 -0.15878 95 2PZ 0.12700 0.05220 -0.06265 -0.06426 -0.09088 96 3S 0.35649 -0.73213 -0.34859 -0.24069 -0.02816 97 3PX -1.23257 -1.04080 0.43909 -0.38820 0.46615 98 3PY -0.70659 -0.42516 0.69692 0.79969 0.54112 99 3PZ -0.20633 -0.16242 0.23573 0.04291 0.15031 100 4XX -0.00498 0.01144 -0.00890 0.01835 -0.00253 101 4YY -0.02059 -0.01213 0.01023 0.00169 -0.02103 102 4ZZ 0.03297 0.04376 -0.02030 -0.01706 -0.01138 103 4XY -0.04677 -0.08972 0.06394 0.01493 0.02249 104 4XZ 0.00872 -0.01468 0.01096 0.00490 0.00478 105 4YZ -0.00120 -0.02298 0.01575 0.00674 0.00354 106 8 H 1S -0.21173 -0.31620 0.24780 0.09393 0.11734 107 2S 1.03485 1.19207 -0.74272 -0.26670 -0.57022 108 9 H 1S 0.01138 -0.23203 0.13067 0.06902 0.21434 109 2S -0.06337 0.87390 -0.26428 -0.06727 -0.64836 110 10 H 1S 0.28473 0.13030 0.06789 0.06154 0.19196 111 2S -0.86131 -0.45127 -0.22770 -0.15291 -0.67846 112 11 H 1S 0.10984 0.30011 -0.01363 0.02671 0.19130 113 2S -0.64912 -1.01874 -0.04978 -0.04524 -0.62864 114 12 H 1S -0.15385 0.24562 -0.23859 0.01298 0.02783 115 2S 0.81299 -0.86985 0.84463 -0.04793 -0.24805 116 13 C 1S -0.00468 0.00073 -0.00097 -0.02306 -0.02476 117 2S 0.12818 0.02327 -0.03193 0.38644 -0.00987 118 2PX -0.21157 0.07492 -0.08855 -0.05286 -0.11018 119 2PY 0.14339 -0.00928 -0.08693 0.08122 0.04591 120 2PZ -0.08496 0.02052 0.02295 -0.72298 -0.20832 121 3S 0.19160 0.09270 0.12747 -0.65010 -0.04729 122 3PX 0.88546 -0.03316 0.42205 -0.00642 0.18847 123 3PY -0.15143 0.00604 0.26785 -0.38910 -0.06025 124 3PZ 0.22011 0.15081 -0.11284 1.93762 0.28779 125 4XX 0.01840 -0.00329 0.02185 0.06394 -0.00090 126 4YY -0.00459 -0.00538 -0.02159 0.05059 0.03743 127 4ZZ 0.02605 0.00929 -0.00078 -0.05527 -0.06178 128 4XY 0.04533 -0.02954 -0.06721 0.01759 0.00776 129 4XZ -0.03711 -0.00813 -0.03238 -0.06436 -0.00189 130 4YZ 0.01787 -0.01739 -0.00724 0.02872 0.04171 131 14 C 1S 0.00118 0.01308 -0.00804 0.00423 0.00398 132 2S 0.10888 0.04896 0.09861 0.03017 -0.35490 133 2PX 0.05219 0.05945 0.11291 0.12457 -0.09314 134 2PY 0.40461 -0.28765 -0.50838 0.11078 0.05310 135 2PZ 0.03156 -0.09847 -0.04157 -0.51382 0.19999 136 3S -0.78327 -0.25200 -0.40681 -0.18506 0.57381 137 3PX 0.17670 -0.15558 -0.00901 -0.06091 0.25090 138 3PY -0.63604 0.32396 0.73918 -0.13132 -0.08706 139 3PZ 0.29964 0.13901 0.28134 0.37109 -0.27196 140 4XX -0.01243 -0.00804 -0.01736 -0.01578 -0.02850 141 4YY 0.07034 -0.03540 -0.03881 -0.08072 0.05254 142 4ZZ -0.05141 0.06030 0.06158 0.10311 -0.07755 143 4XY -0.07223 0.07422 0.11207 -0.02523 -0.00231 144 4XZ 0.01146 0.00183 0.01135 0.05645 -0.02889 145 4YZ -0.01063 -0.03732 -0.07282 0.08940 -0.05326 146 15 H 1S -0.09916 0.31399 0.32010 -0.40137 0.26713 147 2S 0.56964 -0.28552 -0.60153 0.77581 -0.55041 148 16 H 1S -0.27731 0.23582 0.05332 0.54002 -0.28730 149 2S 0.24443 -0.25594 -0.37143 -0.88794 0.41058 150 17 H 1S 0.34906 -0.32123 -0.61579 -0.10519 0.18861 151 2S -0.65773 0.69238 1.17056 0.16285 -0.48461 152 18 H 1S -0.14240 0.08545 -0.08163 -0.42817 -0.33035 153 2S 0.32407 0.02905 -0.00397 1.78767 0.55820 154 19 H 1S -0.38817 0.18612 -0.25903 -0.01667 0.48403 155 2S 0.84097 -0.06478 0.79585 0.16664 -1.25951 156 20 H 1S 0.22826 0.07328 0.44019 -0.01066 0.17976 157 2S -0.41708 -0.08250 -1.10188 -0.01284 -0.51480 86 87 88 89 90 V V V V V Eigenvalues -- 0.92925 0.93510 0.95335 0.95812 0.97455 1 1 C 1S -0.00933 0.02188 -0.00406 -0.00564 0.01629 2 2S -0.00439 -0.53637 0.17458 0.04720 -0.55585 3 2PX -0.12841 -0.35695 0.21010 0.01894 0.10498 4 2PY 0.01898 0.14947 -0.09147 0.14161 0.29653 5 2PZ 0.10114 -0.15086 -0.00220 0.12917 -0.16336 6 3S -0.00387 0.65906 -0.32536 -0.19487 0.95595 7 3PX 0.29566 1.36332 -0.67411 -0.22959 -0.62391 8 3PY 0.03035 0.08637 0.12803 -0.57877 -0.91675 9 3PZ 0.00907 0.24706 0.08694 -0.24995 0.45440 10 4XX 0.04208 -0.08933 0.00793 0.03979 -0.06374 11 4YY 0.01762 0.08615 -0.03168 -0.00646 0.01878 12 4ZZ -0.06822 -0.05901 0.04157 -0.03285 -0.02105 13 4XY 0.00025 0.02177 -0.01857 -0.02769 -0.03446 14 4XZ 0.01837 0.00751 -0.00710 -0.01003 0.04744 15 4YZ 0.00713 0.02901 -0.01230 -0.00269 0.03004 16 2 C 1S 0.00530 -0.01328 0.00288 0.01593 0.01597 17 2S 0.15806 -0.34662 0.04245 0.33018 0.48438 18 2PX -0.05540 -0.12921 0.09568 -0.03231 0.05945 19 2PY 0.11425 -0.02120 -0.05750 0.01328 0.00770 20 2PZ -0.01023 -0.03618 -0.00925 0.03832 -0.06030 21 3S -0.56565 0.52629 0.43818 -1.52470 -2.30659 22 3PX -0.34632 1.21272 -0.65382 0.28563 0.30324 23 3PY -0.85948 -0.56647 -0.27006 0.03517 0.08443 24 3PZ -0.04252 0.23998 -0.14050 -0.04333 0.13727 25 4XX 0.05328 -0.05683 -0.00249 0.04900 0.03108 26 4YY -0.00785 -0.03561 0.03027 0.00306 0.03354 27 4ZZ -0.01056 0.02602 -0.01342 -0.00817 -0.01753 28 4XY -0.00991 0.00072 0.00848 -0.00477 0.02386 29 4XZ 0.00156 -0.02253 0.00022 0.02630 -0.02413 30 4YZ -0.00724 0.00889 -0.00603 -0.00025 -0.00578 31 3 C 1S -0.00121 -0.00857 -0.00404 0.00042 0.00418 32 2S -0.15764 -0.55406 -0.32416 0.28652 0.63087 33 2PX -0.13034 0.02176 0.19074 -0.01904 -0.07394 34 2PY 0.16342 -0.07060 0.10156 -0.14436 -0.28969 35 2PZ -0.00273 -0.01181 0.05973 -0.03170 0.01656 36 3S -0.02798 1.95854 1.57782 -0.41720 -1.30894 37 3PX 0.07585 -0.74858 -1.59984 0.33195 0.65825 38 3PY -0.40368 0.29875 -0.80892 0.66755 1.17712 39 3PZ -0.05967 -0.11124 -0.36913 0.17500 0.05316 40 4XX -0.03431 0.00282 0.00980 0.01480 0.04078 41 4YY 0.00500 -0.09806 -0.05662 0.03518 0.04511 42 4ZZ -0.01143 0.01655 0.00408 -0.00163 0.01453 43 4XY -0.02550 0.01967 0.00681 0.01932 0.02769 44 4XZ -0.00350 -0.00313 0.00725 0.00029 0.02752 45 4YZ 0.00404 -0.00800 -0.00109 0.00029 0.02091 46 4 C 1S -0.00080 0.00013 -0.01068 -0.00378 0.00337 47 2S -0.44633 0.05024 -0.57938 -0.11001 0.09377 48 2PX 0.22205 0.21008 0.32542 -0.11064 -0.30543 49 2PY 0.21759 -0.23319 -0.32499 0.02737 0.03817 50 2PZ 0.05300 0.01637 0.02742 -0.01042 -0.06370 51 3S 1.41817 -0.00420 2.23579 0.42231 -0.33717 52 3PX -0.52287 -1.42807 -2.49938 0.24340 0.91385 53 3PY -0.16242 1.13484 2.43553 -0.33651 -0.87358 54 3PZ -0.08252 -0.13887 -0.23133 -0.02134 0.16644 55 4XX -0.01906 -0.03192 -0.09292 -0.00541 0.03574 56 4YY -0.01811 0.03759 0.00969 -0.02843 -0.04446 57 4ZZ -0.02567 0.00498 0.00260 0.01281 0.01770 58 4XY 0.03054 -0.03740 -0.04949 -0.03042 -0.03345 59 4XZ 0.00197 -0.00929 -0.02643 -0.00339 -0.01132 60 4YZ 0.00796 -0.00627 -0.00551 -0.01078 -0.00519 61 5 C 1S -0.00177 0.00476 -0.00039 -0.00690 -0.01290 62 2S -0.54486 0.47106 -0.02154 -0.33980 -0.56449 63 2PX 0.26056 -0.14491 -0.16334 -0.04691 -0.10236 64 2PY -0.21341 -0.18109 -0.61410 -0.07976 0.03844 65 2PZ 0.03340 -0.02762 -0.07508 -0.02060 -0.00893 66 3S 1.72395 -1.20510 -0.22602 1.50900 2.44254 67 3PX -0.21333 0.58256 0.88749 0.22699 0.29004 68 3PY 1.13829 1.40588 4.28301 0.60897 -0.02364 69 3PZ 0.02953 0.15240 0.47697 0.11232 0.02177 70 4XX 0.00672 0.04404 0.03361 -0.05349 -0.09962 71 4YY -0.05889 0.01758 -0.04197 0.00142 0.01489 72 4ZZ -0.02557 0.00975 0.00348 0.00618 0.01262 73 4XY 0.00994 0.02779 0.09045 0.02494 0.02123 74 4XZ 0.00761 0.00976 0.01268 -0.01152 -0.02073 75 4YZ -0.00251 0.01011 0.00713 0.00496 -0.00527 76 6 C 1S -0.00163 0.00335 0.01367 -0.00243 -0.00232 77 2S -0.33861 0.41808 0.66747 -0.06857 -0.14809 78 2PX -0.14407 -0.06648 -0.44715 -0.22090 -0.30494 79 2PY -0.37640 0.10439 -0.04500 -0.02101 0.11611 80 2PZ -0.05378 -0.03391 -0.06204 -0.03494 -0.02959 81 3S 0.95470 -1.73692 -2.61529 0.27813 0.42590 82 3PX 1.40669 0.43360 3.01704 1.46162 1.56894 83 3PY 1.04236 0.23721 0.70842 0.39538 0.27473 84 3PZ 0.33263 0.19777 0.50372 0.24720 0.25856 85 4XX -0.02524 0.02253 0.04013 0.02232 0.02993 86 4YY -0.00535 0.01862 0.06001 -0.03682 -0.06980 87 4ZZ -0.02404 0.01242 -0.00493 0.00715 0.02270 88 4XY -0.05010 0.00819 -0.09025 -0.02181 -0.01523 89 4XZ -0.00160 -0.00482 0.00747 0.00235 0.00618 90 4YZ -0.00893 0.00390 -0.01090 -0.00658 -0.01128 91 7 C 1S 0.00060 -0.00694 0.01013 0.00508 0.00718 92 2S 0.14287 0.02829 0.59056 0.30202 0.54852 93 2PX -0.21144 0.14400 -0.01312 -0.09079 -0.02588 94 2PY 0.00297 0.08952 0.05972 0.17464 0.27240 95 2PZ -0.00791 0.10876 -0.04724 -0.01357 -0.02631 96 3S -0.49073 0.33147 -2.31135 -1.17089 -1.69914 97 3PX 1.19917 -0.55126 0.78545 0.80081 0.60605 98 3PY -0.80557 -0.77003 -0.48269 -0.93017 -1.29139 99 3PZ 0.08481 -0.32056 0.19428 0.11991 0.05767 100 4XX -0.01208 0.00541 0.03481 -0.01114 0.00262 101 4YY 0.04977 -0.00537 0.05373 0.05235 0.07707 102 4ZZ -0.01886 0.01840 -0.00939 -0.00099 0.00530 103 4XY 0.03907 -0.01717 0.03941 0.02149 0.01025 104 4XZ -0.00631 0.00268 0.00776 0.00078 -0.00768 105 4YZ 0.00847 -0.01558 0.01953 0.01277 0.01044 106 8 H 1S 0.12013 -0.10320 0.02935 0.00672 -0.01069 107 2S -0.24222 0.68432 0.11646 0.22612 0.65167 108 9 H 1S 0.16660 -0.09222 0.05547 -0.03192 -0.11205 109 2S -0.72713 0.31386 0.39763 0.06541 0.26484 110 10 H 1S 0.17995 -0.06959 0.00634 -0.05578 -0.11331 111 2S -0.76203 0.41760 0.02509 -0.05373 -0.00165 112 11 H 1S 0.20340 -0.05200 -0.06030 -0.08173 -0.12081 113 2S -0.74908 0.06999 -0.14730 0.02895 0.27126 114 12 H 1S 0.10395 -0.16028 0.02626 -0.04667 -0.15389 115 2S -0.39528 0.29194 -0.35751 0.45325 1.02168 116 13 C 1S 0.01720 0.00292 -0.00483 -0.01982 -0.01309 117 2S -0.45528 0.16401 -0.02316 -0.28748 -0.31142 118 2PX 0.16474 -0.05063 0.07191 -0.04226 0.06357 119 2PY -0.02575 0.04455 -0.02466 0.06206 0.11835 120 2PZ 0.28287 0.21322 -0.09543 -0.04655 -0.02862 121 3S 0.68502 -0.79844 0.31212 0.84816 0.97633 122 3PX -0.61929 0.07154 -0.13633 0.26774 -0.33743 123 3PY -0.02657 -0.07617 -0.00231 -0.06071 -0.33317 124 3PZ -0.52069 -0.62735 0.21639 0.27668 0.41866 125 4XX -0.05277 0.01053 0.01489 -0.06154 -0.00992 126 4YY -0.05985 -0.05088 0.03162 0.02843 -0.00897 127 4ZZ 0.04274 0.05648 -0.04708 -0.02330 -0.03494 128 4XY -0.02729 -0.02969 0.02142 -0.01045 -0.01024 129 4XZ 0.03460 0.01286 -0.01595 -0.02815 0.00392 130 4YZ -0.00368 0.03472 -0.00097 0.00331 0.03598 131 14 C 1S -0.01858 0.00998 0.00202 0.03830 -0.01249 132 2S 0.06935 -0.34045 0.25575 -1.04766 0.39867 133 2PX 0.02069 -0.06210 0.06271 -0.40881 0.22935 134 2PY 0.07098 0.02236 0.06629 -0.08225 0.16914 135 2PZ -0.17156 -0.16705 0.09539 -0.10347 -0.05741 136 3S 0.26900 0.87172 -0.62516 1.91659 -1.00137 137 3PX -0.12272 0.01710 -0.13455 0.86097 -0.32884 138 3PY 0.02072 0.26558 -0.27539 0.15931 -0.25673 139 3PZ 0.07091 0.18791 -0.04895 0.18470 0.00954 140 4XX 0.01428 -0.01990 0.02427 -0.13806 0.03518 141 4YY -0.04902 -0.02547 0.03169 -0.00400 0.02137 142 4ZZ 0.03827 0.00891 -0.01809 0.00844 -0.00718 143 4XY -0.01961 -0.01321 -0.00080 -0.00733 -0.00023 144 4XZ 0.00018 -0.00614 0.01428 -0.02392 0.00269 145 4YZ 0.10313 0.07725 -0.04670 -0.00175 0.02549 146 15 H 1S -0.49257 -0.21642 0.12658 0.48515 -0.26713 147 2S 0.50039 0.01952 0.14807 -0.97358 0.65472 148 16 H 1S 0.21253 0.29393 -0.20141 0.53036 -0.17855 149 2S -0.34932 -0.57163 0.43102 -1.04856 0.42097 150 17 H 1S -0.05220 0.21898 -0.03040 0.43023 -0.12641 151 2S 0.02227 -0.18531 0.02629 -0.82352 0.18890 152 18 H 1S 0.44678 0.23983 -0.20346 -0.10824 -0.00798 153 2S -1.00053 -0.38951 0.25353 0.16338 0.06535 154 19 H 1S -0.22169 0.18165 -0.00258 -0.18892 0.28175 155 2S 0.24748 -0.52294 0.00872 0.53892 -0.55052 156 20 H 1S -0.05343 0.60065 -0.17186 -0.10530 0.32677 157 2S -0.08553 -0.84808 0.49806 -0.31362 -1.13396 91 92 93 94 95 V V V V V Eigenvalues -- 0.99661 1.04236 1.09024 1.11235 1.15484 1 1 C 1S 0.00887 -0.01136 -0.00047 0.00380 0.01269 2 2S 0.10965 -0.14274 0.07509 0.00254 0.20295 3 2PX -0.22977 0.22988 -0.00872 -0.00835 -0.03074 4 2PY -0.15980 -0.09863 -0.27452 -0.01691 0.21910 5 2PZ 0.00539 -0.05203 -0.02022 -0.01480 -0.01441 6 3S 0.07011 -0.10560 -0.57502 -0.13402 0.44672 7 3PX 0.85691 -1.47511 0.99879 0.14266 -1.42343 8 3PY -0.35759 -0.39180 1.08657 -0.20596 -1.01822 9 3PZ -0.31592 0.32080 0.37443 0.17960 -0.22576 10 4XX 0.02663 -0.01501 -0.04465 0.02213 0.08028 11 4YY 0.00827 0.00295 0.06018 0.02633 -0.06101 12 4ZZ 0.00479 -0.02778 -0.02225 -0.04163 0.03758 13 4XY 0.00191 -0.00552 0.02663 -0.03404 -0.05287 14 4XZ -0.01274 0.02634 -0.00877 0.01639 -0.00168 15 4YZ -0.02437 0.06851 -0.04186 -0.03257 0.04456 16 2 C 1S -0.00008 0.00565 -0.02990 0.03639 0.01002 17 2S 0.14806 -0.03233 -0.72532 0.94637 -0.06131 18 2PX -0.23542 0.01122 0.02831 -0.17179 0.43796 19 2PY -0.53204 -0.34097 -0.10253 -0.14625 -0.27246 20 2PZ -0.09325 0.03334 -0.06453 -0.09296 0.10463 21 3S -1.60045 1.03589 3.17772 -2.82464 -2.43498 22 3PX 1.74169 -0.41441 0.04172 1.24433 -1.37673 23 3PY 4.08638 3.03514 -0.10277 0.75339 1.54705 24 3PZ 0.69350 -0.05599 0.11907 0.35185 -0.26524 25 4XX 0.01797 -0.04242 -0.08045 0.08222 0.01639 26 4YY -0.02983 0.07867 0.01540 0.06247 -0.08103 27 4ZZ 0.01385 -0.02544 -0.00437 -0.04165 0.04955 28 4XY -0.08167 -0.01761 -0.04843 -0.05733 -0.03945 29 4XZ 0.00551 -0.02596 -0.03084 0.00941 0.01099 30 4YZ 0.00155 -0.02513 -0.02551 -0.02016 -0.01944 31 3 C 1S -0.00292 -0.00246 -0.00420 -0.03295 -0.01153 32 2S -0.05061 0.04776 -0.38222 -0.80658 -0.39231 33 2PX -0.49674 -0.02963 -0.01262 -0.13633 0.17206 34 2PY -0.28287 -0.17807 -0.06456 -0.03876 -0.30222 35 2PZ -0.13480 0.01163 0.00811 -0.00936 0.00846 36 3S 0.54401 0.07654 -0.30816 3.39313 0.59944 37 3PX 4.45521 1.20819 -0.34347 0.47461 0.79561 38 3PY 2.19000 0.65479 -0.10309 0.62920 1.62701 39 3PZ 0.95814 0.23525 -0.13898 0.06014 0.30023 40 4XX -0.05231 -0.01886 -0.04037 -0.04886 -0.04058 41 4YY 0.04221 0.00646 -0.05216 -0.06108 -0.00409 42 4ZZ 0.01509 0.01783 0.02865 0.01567 0.01870 43 4XY 0.09076 0.03750 -0.05592 0.08189 -0.02149 44 4XZ -0.02032 0.01885 -0.00657 0.00926 -0.01565 45 4YZ 0.01503 0.00906 -0.00246 0.01898 -0.02314 46 4 C 1S -0.02370 -0.00833 0.02641 -0.00058 0.00126 47 2S -0.78017 -0.36646 0.70124 -0.21274 0.05964 48 2PX -0.21591 -0.12880 -0.13946 -0.10316 0.07475 49 2PY 0.23343 -0.06705 -0.04325 -0.20571 0.00838 50 2PZ -0.01014 -0.03496 -0.02957 -0.03597 0.01207 51 3S 3.12961 0.68295 -3.12187 -0.54134 0.16685 52 3PX 2.32201 0.97047 1.28872 -0.11652 0.48594 53 3PY -2.26660 -0.40226 -0.41451 0.71963 -1.04406 54 3PZ 0.19935 0.15107 0.21740 0.06202 -0.01083 55 4XX -0.02645 -0.02243 0.05906 -0.05943 -0.06000 56 4YY -0.10923 -0.03221 0.02905 0.00709 0.06520 57 4ZZ 0.02407 0.00440 0.00579 0.02535 -0.00691 58 4XY -0.07977 0.00564 0.08163 0.02108 -0.02566 59 4XZ -0.00694 -0.02152 0.01104 -0.02521 -0.01439 60 4YZ -0.02685 0.00044 0.02595 0.01089 -0.00578 61 5 C 1S -0.00986 0.01012 -0.02461 0.02598 0.01017 62 2S -0.30751 0.22687 -0.67883 0.63781 0.58520 63 2PX 0.06235 -0.07603 0.08661 -0.16465 0.37593 64 2PY -0.03725 0.06224 0.10790 0.11263 -0.07949 65 2PZ 0.01215 -0.01648 0.02628 -0.01786 0.05344 66 3S 1.83216 -1.66209 2.64916 -3.09181 0.37495 67 3PX -0.24515 -0.16912 -0.46040 0.44567 -1.24986 68 3PY -0.82343 -1.50339 -1.49729 -1.27855 -0.28638 69 3PZ -0.11830 -0.10143 -0.20337 -0.02859 -0.20815 70 4XX -0.05957 0.06571 -0.09236 0.09266 0.00480 71 4YY 0.00759 -0.02298 0.00739 -0.02513 0.10401 72 4ZZ 0.01052 -0.01246 -0.00097 0.01356 -0.04818 73 4XY 0.03533 -0.00950 0.01081 -0.04756 0.02196 74 4XZ -0.00700 0.00574 -0.01390 0.01406 0.00371 75 4YZ 0.01358 -0.01632 -0.00673 -0.02148 0.01679 76 6 C 1S 0.01488 0.01444 -0.00461 -0.03035 -0.01349 77 2S 0.52307 0.47335 0.03202 -0.86775 -0.18300 78 2PX 0.02011 0.28458 -0.01226 0.03491 0.09164 79 2PY -0.06549 0.05230 -0.16869 -0.02944 -0.29165 80 2PZ -0.01555 0.07173 -0.00915 0.00963 -0.00406 81 3S -1.65451 -1.70801 0.57243 3.15068 2.62808 82 3PX -0.75374 -3.00018 -0.19247 -1.16380 0.69426 83 3PY -0.01145 -0.97252 0.51594 -0.02985 1.29261 84 3PZ -0.06937 -0.66762 -0.00185 -0.20945 0.18595 85 4XX 0.03513 -0.01938 0.03765 -0.00657 0.05875 86 4YY 0.05257 0.10666 -0.03500 -0.10987 -0.05064 87 4ZZ -0.01149 -0.02144 -0.00691 0.01019 -0.02864 88 4XY -0.01676 -0.00970 -0.01156 0.04123 0.06731 89 4XZ -0.00242 0.01959 0.01642 0.00809 0.02771 90 4YZ 0.00060 0.01395 -0.00843 -0.00469 0.01686 91 7 C 1S 0.00435 0.00377 0.02921 0.00620 0.01317 92 2S 0.05349 0.08927 1.03043 0.46247 0.19702 93 2PX -0.02491 0.27274 0.15871 -0.17003 -0.03035 94 2PY -0.12130 -0.46000 -0.16865 -0.07368 0.10056 95 2PZ 0.02769 -0.04474 0.00163 -0.05188 -0.00821 96 3S -1.13956 0.18125 -2.41863 -0.23802 -2.08706 97 3PX -1.39886 -2.31635 -0.61316 0.30681 1.06321 98 3PY 1.34535 3.48599 0.60511 -0.02373 -1.03340 99 3PZ -0.25259 0.03546 -0.06321 0.06131 0.16865 100 4XX 0.04748 0.07598 0.09793 -0.00913 0.03675 101 4YY -0.05095 -0.02670 0.06328 0.09623 -0.03228 102 4ZZ -0.00027 -0.03686 -0.02695 -0.03237 0.00994 103 4XY 0.03765 -0.00270 0.04331 -0.01573 0.04857 104 4XZ 0.02245 0.00354 0.01685 -0.00449 0.01173 105 4YZ -0.01039 0.02344 0.01639 0.01326 0.02176 106 8 H 1S -0.06807 -0.09421 0.12662 -0.07345 0.19875 107 2S 0.06321 -0.71629 0.32792 0.00713 0.17914 108 9 H 1S 0.05975 0.04463 -0.15854 -0.31494 -0.44179 109 2S 0.08751 0.11181 -0.29163 -0.51099 -0.69896 110 10 H 1S -0.08586 0.10934 -0.20668 0.38721 -0.26106 111 2S -0.17112 0.17909 -0.40552 0.66971 -0.46447 112 11 H 1S -0.12485 0.01639 0.34976 0.12984 -0.13536 113 2S -0.30967 0.05715 0.59647 0.27690 -0.16247 114 12 H 1S 0.06944 0.05495 0.11803 -0.14236 0.24802 115 2S 0.42345 0.23576 -0.11218 -0.17335 0.48447 116 13 C 1S 0.01641 -0.02455 0.00710 -0.00570 -0.01935 117 2S 0.66379 -1.17483 0.11786 0.03472 -0.31828 118 2PX -0.05305 0.13935 0.14718 0.09547 -0.07932 119 2PY 0.04844 -0.12434 -0.08172 0.07105 0.05075 120 2PZ 0.04782 -0.01778 0.07189 0.04508 -0.05172 121 3S -1.69284 2.90885 -0.81367 0.10080 1.61547 122 3PX 0.20970 -0.24220 -0.56608 -0.28037 0.43148 123 3PY 0.02893 -0.05123 0.10476 -0.16885 -0.15808 124 3PZ -0.16683 0.53313 -0.96251 -0.20283 0.93998 125 4XX 0.07795 -0.12000 0.06243 0.03622 -0.06420 126 4YY 0.02000 -0.01539 -0.03290 0.01712 0.05836 127 4ZZ 0.01095 -0.03559 -0.02151 -0.05733 -0.02988 128 4XY -0.01962 -0.02978 -0.01637 -0.02532 0.00991 129 4XZ 0.01295 0.00547 -0.04241 -0.02244 0.02476 130 4YZ -0.02246 0.03739 0.03698 0.02267 -0.02126 131 14 C 1S 0.00990 -0.01901 -0.00172 0.01966 0.01533 132 2S 0.16228 -0.40173 -0.11945 0.28931 0.28073 133 2PX 0.04417 0.04308 -0.07250 -0.01799 0.04849 134 2PY -0.14437 0.20440 -0.02528 -0.02951 0.07071 135 2PZ 0.04993 -0.07750 0.07141 0.01604 -0.06558 136 3S -0.21083 0.44242 0.88406 -0.56482 -1.36678 137 3PX -0.25538 0.36746 -0.21654 -0.12925 0.28337 138 3PY 0.41805 -0.54360 0.09580 0.14475 -0.22706 139 3PZ -0.13289 0.11959 0.08603 0.04583 0.00396 140 4XX 0.03998 -0.07131 0.01602 0.02133 -0.01849 141 4YY 0.00674 -0.00583 0.00145 0.04486 0.02985 142 4ZZ -0.01238 -0.00250 -0.02513 -0.01141 0.02234 143 4XY 0.01263 -0.00051 0.00798 0.00972 -0.00843 144 4XZ 0.01398 -0.03643 0.05589 0.03636 -0.04453 145 4YZ 0.00476 0.02311 -0.01676 0.00415 0.00816 146 15 H 1S 0.00662 -0.08274 0.03989 0.08410 0.05553 147 2S -0.11906 0.12643 -0.14542 0.09412 0.26365 148 16 H 1S 0.01032 -0.01978 -0.08337 0.02581 0.09536 149 2S 0.12583 -0.19273 -0.09654 0.13070 0.17830 150 17 H 1S 0.02475 -0.06847 0.06679 0.11446 0.01299 151 2S 0.35875 -0.52836 -0.04991 0.17541 0.00162 152 18 H 1S -0.01101 0.15449 -0.22196 -0.18028 0.11401 153 2S 0.32927 -0.53735 -0.29728 0.06816 0.23577 154 19 H 1S 0.03627 0.01882 -0.23565 -0.07255 0.22573 155 2S 0.06696 -0.01538 -0.16438 0.01838 0.22463 156 20 H 1S -0.01308 0.05315 0.15440 0.01557 -0.05510 157 2S -0.32810 -0.07824 0.59139 -0.19255 -0.37556 96 97 98 99 100 V V V V V Eigenvalues -- 1.17789 1.19945 1.22777 1.28501 1.32868 1 1 C 1S 0.01605 -0.00093 0.02190 -0.00464 0.02973 2 2S 0.19901 0.19849 0.46371 -0.04377 0.54444 3 2PX -0.01045 -0.04246 -0.19369 -0.07665 0.18775 4 2PY -0.30857 -0.09924 0.07483 -0.00384 -0.01368 5 2PZ -0.06182 -0.02677 -0.05934 -0.09179 0.04454 6 3S -0.76930 -0.01380 -0.18197 0.32136 -0.96315 7 3PX 0.55496 -1.19598 -0.19284 0.11139 -1.00526 8 3PY 0.84082 -1.08840 0.35316 0.29540 -0.25873 9 3PZ 0.55589 -0.32133 0.43695 0.64283 -0.09116 10 4XX -0.00477 0.02061 0.08944 0.01352 0.00384 11 4YY 0.10166 -0.05362 0.09349 0.05450 0.02885 12 4ZZ -0.06091 0.06037 -0.09920 -0.06882 0.04516 13 4XY -0.03687 -0.14856 0.02486 -0.00175 0.04481 14 4XZ 0.05046 -0.07273 0.10982 0.09925 0.15532 15 4YZ -0.07299 0.06422 -0.07026 -0.04318 -0.16001 16 2 C 1S 0.00607 0.00315 0.02094 0.01252 0.01958 17 2S -0.05457 0.22512 0.76681 0.30200 0.49591 18 2PX 0.21476 -0.11538 0.27167 0.17096 0.05271 19 2PY -0.00769 -0.44822 0.16627 0.13118 -0.15434 20 2PZ -0.04880 0.02424 -0.01578 -0.02430 -0.02940 21 3S -0.53453 -0.27312 -1.63182 -0.58438 -1.95408 22 3PX 0.58913 -0.08139 -1.70663 -0.70862 -0.09437 23 3PY 0.60695 5.21760 -1.57383 -1.02943 0.84925 24 3PZ 0.28403 0.17415 -0.30053 -0.15193 0.09434 25 4XX 0.05145 0.00180 0.12204 0.04635 0.11632 26 4YY -0.02878 0.00410 0.03680 -0.02091 -0.00976 27 4ZZ -0.02520 0.01948 -0.06572 0.00912 -0.07914 28 4XY 0.00544 0.00415 -0.00410 -0.07896 0.01500 29 4XZ -0.05402 0.06407 -0.06550 0.00187 -0.20407 30 4YZ -0.07109 0.02631 -0.16147 0.25742 0.07896 31 3 C 1S 0.00377 -0.02953 -0.00002 0.00186 -0.00890 32 2S 0.28582 -0.64424 -0.27397 -0.03088 -0.22533 33 2PX -0.23156 -0.04419 -0.01191 -0.01519 0.07669 34 2PY 0.18776 0.14378 -0.12514 -0.05985 0.01586 35 2PZ 0.00194 -0.00063 0.01494 0.02395 -0.00942 36 3S -0.00978 4.39432 -1.25316 -0.95587 1.06027 37 3PX 1.74173 2.14285 0.20517 0.03614 0.51348 38 3PY 0.32900 -0.61237 -0.71145 -0.03709 -0.32585 39 3PZ 0.19328 0.40574 -0.14187 -0.11293 0.01443 40 4XX 0.02112 0.06315 -0.08132 0.06045 -0.00820 41 4YY -0.01067 -0.11961 -0.05100 0.00137 -0.02218 42 4ZZ 0.00859 -0.01179 0.07699 -0.07764 0.01155 43 4XY -0.02262 0.10763 -0.04212 -0.00073 0.02715 44 4XZ 0.06890 -0.01172 0.13145 -0.24731 -0.04129 45 4YZ 0.04538 -0.03900 0.06759 -0.04835 0.13772 46 4 C 1S -0.01192 0.01747 -0.00195 -0.00319 -0.00236 47 2S -0.18309 0.75913 0.13761 -0.01239 0.00983 48 2PX 0.15900 0.15272 0.01592 0.00243 0.00603 49 2PY 0.24302 0.16076 0.04858 0.05360 -0.03502 50 2PZ 0.04241 0.03705 0.00216 -0.00120 -0.00219 51 3S 2.22963 -0.69052 0.61764 0.56683 0.36314 52 3PX -0.60309 -0.08576 0.86170 0.27098 0.44424 53 3PY -1.40590 -0.08225 0.57614 -0.01383 0.65461 54 3PZ -0.15683 -0.05528 0.24717 0.10139 0.14493 55 4XX 0.03108 0.03575 0.05356 -0.05155 -0.03760 56 4YY -0.02975 0.06738 0.01698 0.03354 0.02566 57 4ZZ -0.03106 -0.02563 -0.03870 0.02146 0.01894 58 4XY -0.10608 -0.00806 0.00581 0.01086 0.00419 59 4XZ -0.04032 0.02973 -0.09825 0.20699 0.06348 60 4YZ 0.02171 -0.02162 0.10436 -0.18982 0.02048 61 5 C 1S 0.01006 -0.00480 0.00116 0.00480 0.00465 62 2S 0.47319 -0.28321 -0.12951 0.07852 0.07713 63 2PX 0.14624 -0.03098 0.03101 0.04043 0.05121 64 2PY 0.00663 0.06924 -0.02638 -0.02838 0.03535 65 2PZ 0.02835 -0.00533 0.00513 0.00469 0.00566 66 3S -0.46078 0.22110 -0.02636 -0.37250 -0.22032 67 3PX 0.16799 -0.60622 -1.33256 -0.69573 -0.61510 68 3PY 0.49112 0.05912 0.37257 0.15798 0.20366 69 3PZ 0.04773 -0.06278 -0.22028 -0.11962 -0.11840 70 4XX 0.02730 -0.05493 -0.03573 -0.02409 -0.03541 71 4YY 0.05300 0.01097 0.02489 -0.02456 0.00840 72 4ZZ -0.02644 0.00585 -0.01777 0.04720 0.02846 73 4XY -0.01993 -0.05440 0.05841 -0.04168 -0.00480 74 4XZ 0.00948 -0.02798 -0.01908 0.06880 0.07849 75 4YZ -0.04639 0.01354 -0.12358 0.28761 0.05327 76 6 C 1S -0.00718 -0.00516 0.00613 -0.00016 -0.00088 77 2S -0.39930 -0.19973 0.46892 0.12564 -0.00985 78 2PX -0.01307 -0.04890 0.06691 0.05063 -0.07404 79 2PY 0.23174 0.16544 -0.09937 -0.00706 -0.06383 80 2PZ 0.02781 0.00288 0.01488 0.02178 -0.01732 81 3S -0.49726 0.03784 -0.08266 0.04078 0.40004 82 3PX 0.11963 0.32313 0.36506 0.00590 0.37594 83 3PY -0.06456 -1.46950 -0.70166 -0.51552 0.34601 84 3PZ -0.02297 -0.07376 -0.01809 -0.08100 0.07107 85 4XX -0.10435 -0.02775 -0.02617 0.06538 0.02943 86 4YY 0.00813 0.03511 0.06589 0.05741 -0.00204 87 4ZZ 0.04567 -0.00553 0.01990 -0.10561 -0.02921 88 4XY 0.02738 -0.05245 0.00570 0.05404 0.03924 89 4XZ 0.02181 -0.02290 0.12621 -0.26826 -0.04974 90 4YZ -0.00145 0.00293 0.03248 -0.09518 -0.09169 91 7 C 1S -0.00054 0.02332 -0.02151 -0.01003 -0.00142 92 2S 0.05635 0.14030 -0.60965 -0.20112 -0.09364 93 2PX 0.35602 0.13122 0.10157 0.14693 -0.01172 94 2PY 0.11961 0.12214 0.03976 -0.02892 0.12146 95 2PZ 0.02680 0.02900 -0.01380 -0.01935 -0.02932 96 3S -0.53614 -4.07206 2.07185 1.07442 -0.33851 97 3PX -1.81820 -1.29978 1.28868 0.29992 -0.03955 98 3PY -0.85286 1.81618 -0.10323 0.04097 -0.75254 99 3PZ -0.32041 -0.02723 0.24879 0.13058 -0.03743 100 4XX -0.01420 -0.00081 -0.04153 -0.10725 0.00879 101 4YY 0.04904 -0.02916 -0.03047 0.05438 -0.00189 102 4ZZ -0.00953 0.02999 -0.01047 0.02790 -0.01823 103 4XY 0.08953 0.09049 -0.06387 0.00908 0.03468 104 4XZ -0.04832 0.02651 -0.12896 0.19705 -0.00600 105 4YZ 0.03579 0.02668 0.06567 -0.20686 -0.15176 106 8 H 1S 0.48534 0.14511 -0.37780 -0.11827 0.07407 107 2S 0.75676 0.10858 -0.52144 -0.24844 0.33729 108 9 H 1S -0.00651 0.33845 0.26253 0.12588 -0.06777 109 2S 0.08151 0.49241 0.35022 0.19410 -0.12125 110 10 H 1S 0.10547 -0.21016 -0.38638 -0.15571 -0.14009 111 2S 0.08999 -0.26674 -0.52144 -0.24265 -0.21406 112 11 H 1S -0.51708 0.10647 0.24070 0.00317 0.17487 113 2S -0.80016 0.10546 0.30914 -0.01356 0.29324 114 12 H 1S 0.02875 -0.58694 -0.16725 0.02103 -0.16750 115 2S -0.10904 -0.89512 -0.16663 0.08903 -0.35213 116 13 C 1S -0.00886 -0.01354 -0.02869 -0.02179 0.02383 117 2S -0.15392 -0.33160 -0.30149 -0.36429 0.43304 118 2PX 0.17078 -0.03854 0.06993 0.15217 -0.05063 119 2PY -0.05692 -0.02045 0.06851 -0.00597 0.00553 120 2PZ 0.10446 -0.03068 0.06498 0.03842 0.01355 121 3S 0.03586 1.53683 1.16970 1.11672 -1.70315 122 3PX -0.91761 0.67994 -0.62990 -0.54026 -1.14708 123 3PY -0.08382 -0.02016 -0.31557 -0.11019 -0.31720 124 3PZ -0.85130 1.05689 -0.43532 -0.41350 0.23392 125 4XX 0.04615 -0.03839 -0.01371 0.02115 0.02911 126 4YY -0.03588 0.10269 -0.03171 -0.01875 -0.07686 127 4ZZ -0.04607 -0.07841 -0.02304 -0.04553 0.08484 128 4XY -0.05165 -0.00212 -0.05157 -0.06724 -0.03898 129 4XZ -0.05642 0.06615 -0.08377 -0.04491 -0.05683 130 4YZ 0.06645 -0.03376 0.07315 0.08443 -0.01963 131 14 C 1S -0.00808 0.02387 0.01378 0.02691 -0.10144 132 2S -0.14922 0.24772 0.32722 0.44874 -1.51157 133 2PX -0.05127 0.08630 -0.09079 -0.07439 0.15739 134 2PY 0.01824 0.06910 -0.00037 0.00804 0.07645 135 2PZ 0.02686 -0.04921 -0.01867 0.02105 -0.03019 136 3S 0.98982 -1.51689 -0.50957 -0.91822 4.54231 137 3PX -0.26431 0.37886 -0.03989 0.01769 -0.83805 138 3PY 0.02379 -0.23162 0.09483 0.05549 -0.20162 139 3PZ 0.15705 -0.07627 0.22377 0.06300 -0.01296 140 4XX 0.00145 -0.00900 -0.01028 0.00769 -0.05245 141 4YY 0.01471 0.02477 0.06652 0.05306 -0.03769 142 4ZZ -0.03152 0.01446 -0.00507 0.00182 -0.10084 143 4XY 0.02571 -0.00793 0.02642 0.03202 0.05354 144 4XZ 0.07009 -0.07000 0.06487 0.04594 0.03413 145 4YZ 0.00571 0.01681 0.02456 0.03058 0.03178 146 15 H 1S -0.00553 0.07121 0.07275 0.09951 -0.35470 147 2S -0.03055 0.20568 0.18266 0.17487 -0.33633 148 16 H 1S -0.09009 0.14278 0.00959 0.05742 -0.39391 149 2S -0.15375 0.20494 -0.00926 0.15747 -0.54474 150 17 H 1S 0.03292 0.04505 0.10396 0.14551 -0.37906 151 2S -0.07301 -0.04294 0.13395 0.15145 -0.53752 152 18 H 1S -0.24650 0.19250 -0.25111 -0.21197 0.10514 153 2S -0.40741 0.28730 -0.29394 -0.32206 0.20919 154 19 H 1S -0.15091 0.19996 -0.05003 -0.14346 0.13979 155 2S -0.12060 0.23652 0.10174 -0.28326 0.33528 156 20 H 1S 0.19835 -0.19829 0.17347 0.05344 0.03093 157 2S 0.33568 -0.18809 0.04333 -0.02467 0.22021 101 102 103 104 105 V V V V V Eigenvalues -- 1.41844 1.43606 1.45481 1.46536 1.48762 1 1 C 1S 0.05705 0.03895 0.02271 0.05009 -0.04228 2 2S 1.12140 0.56608 0.34752 0.59465 -0.43990 3 2PX -0.21576 -0.01079 0.02172 -0.04054 -0.13074 4 2PY 0.10446 0.01995 0.08986 -0.01701 -0.02428 5 2PZ -0.06717 0.02442 -0.00394 -0.10537 0.01472 6 3S -2.11796 -1.71406 -0.73737 -2.27891 2.94950 7 3PX -0.52449 0.30457 -0.28058 0.84408 -0.57723 8 3PY -0.47455 0.11814 -0.22718 0.56374 0.39232 9 3PZ 0.16998 -0.00337 -0.06075 0.45499 -0.08187 10 4XX 0.02808 0.03813 0.04163 0.11939 -0.01446 11 4YY 0.06078 0.00616 -0.03492 -0.01048 -0.03325 12 4ZZ 0.01821 0.01441 0.02871 -0.05435 0.00306 13 4XY 0.03211 0.00118 -0.00363 -0.02461 -0.04647 14 4XZ 0.09178 -0.01766 -0.08252 -0.26867 -0.00823 15 4YZ -0.03215 0.05298 0.05429 0.23238 -0.08196 16 2 C 1S -0.04421 -0.00046 0.00132 0.00379 0.00320 17 2S -0.63564 0.11413 0.10209 0.21386 0.05680 18 2PX 0.23150 0.06962 0.10026 0.03393 0.24898 19 2PY -0.07424 0.05597 0.20056 0.08822 -0.08269 20 2PZ 0.06005 -0.09420 0.02769 -0.03175 0.02134 21 3S 3.38855 0.09570 -0.25336 -0.00682 -0.10112 22 3PX -2.34267 0.12013 -0.23969 0.56738 -2.75942 23 3PY 0.75530 -0.83295 0.34770 -2.11586 0.60412 24 3PZ -0.47781 0.25454 0.04230 0.22736 -0.42550 25 4XX -0.01498 -0.01120 -0.03496 -0.07068 0.04361 26 4YY -0.04446 -0.00976 0.02142 -0.00545 0.03647 27 4ZZ 0.04698 0.02996 0.01850 0.09129 -0.07331 28 4XY 0.00291 -0.02463 -0.06989 -0.03087 0.08156 29 4XZ -0.11933 0.10602 0.05951 0.35378 -0.04848 30 4YZ -0.00537 -0.04388 -0.05034 -0.13854 -0.28632 31 3 C 1S 0.01728 0.00299 -0.03122 0.01450 0.00702 32 2S 0.40052 0.03341 -0.66730 0.22965 0.05747 33 2PX -0.21910 -0.05204 -0.09200 -0.04549 -0.08809 34 2PY 0.11259 0.03124 -0.22764 0.10120 -0.04300 35 2PZ -0.03342 0.03850 -0.03797 0.01742 -0.06112 36 3S -1.34431 -0.45476 2.86462 -1.84138 -0.99344 37 3PX 0.37369 -0.04894 -0.71605 -0.05660 0.72053 38 3PY -1.69463 -0.26549 2.95723 -1.07528 -1.00691 39 3PZ -0.06217 -0.12173 0.07008 -0.26248 -0.01845 40 4XX 0.06255 -0.05778 -0.01842 0.05679 -0.02067 41 4YY -0.07209 0.01457 -0.01810 -0.00795 -0.03600 42 4ZZ 0.02673 0.04466 0.01737 -0.04158 0.04017 43 4XY -0.03841 0.01183 -0.04527 0.01111 -0.04304 44 4XZ -0.00975 0.17547 -0.05998 -0.19479 0.16214 45 4YZ 0.05068 -0.22414 -0.00669 -0.07803 0.15505 46 4 C 1S 0.01110 -0.00183 0.03098 -0.01389 0.00227 47 2S 0.19751 -0.04088 0.65650 -0.30167 0.09236 48 2PX 0.17533 -0.01990 0.05914 -0.05116 0.09950 49 2PY -0.09344 -0.02110 0.22310 -0.06425 -0.02213 50 2PZ 0.01804 0.08750 0.02149 -0.03478 0.07649 51 3S -1.14142 0.06968 -2.66720 1.09045 0.26177 52 3PX -0.88768 0.08233 -2.13631 0.86047 -0.09314 53 3PY -0.80562 0.11739 -2.47263 0.97036 -0.31641 54 3PZ -0.20107 0.06991 -0.54394 0.24270 0.03887 55 4XX 0.05142 0.09322 -0.03910 -0.05343 0.04293 56 4YY -0.08047 0.01831 0.05565 -0.03822 0.02797 57 4ZZ 0.03891 -0.11070 0.00306 0.08707 -0.06955 58 4XY -0.01269 0.07546 -0.05532 0.01442 0.02162 59 4XZ 0.04323 -0.29244 0.05294 0.21042 -0.01521 60 4YZ -0.00322 -0.30895 -0.01839 -0.10748 -0.16130 61 5 C 1S -0.02958 -0.00258 -0.00279 0.00081 -0.00605 62 2S -0.62098 -0.05329 -0.06230 0.01500 -0.14287 63 2PX -0.21290 -0.02644 -0.07062 0.01727 -0.03582 64 2PY 0.06195 0.00775 -0.25267 0.07708 0.02704 65 2PZ -0.04216 0.06587 -0.03177 0.01682 -0.02820 66 3S 2.37490 0.25327 0.31218 -0.03419 0.50709 67 3PX 3.21587 0.25025 0.29377 -0.09968 0.66843 68 3PY -0.66691 0.03107 -0.04079 0.15181 -0.21267 69 3PZ 0.50380 -0.00361 0.06534 0.06109 0.07484 70 4XX -0.00637 0.10043 -0.04878 -0.02188 -0.02338 71 4YY -0.07694 -0.03181 0.02641 -0.04049 -0.03598 72 4ZZ 0.06896 -0.06859 0.02145 0.06563 0.04834 73 4XY -0.01898 0.01499 -0.09697 0.02798 -0.06578 74 4XZ 0.04227 -0.36330 0.01307 0.06317 0.14062 75 4YZ 0.01396 0.14791 0.01618 0.11832 0.27815 76 6 C 1S 0.01404 0.00142 -0.02905 0.00895 0.00458 77 2S 0.29181 0.06557 -0.60993 0.25274 0.10017 78 2PX 0.19546 -0.00707 0.06740 -0.01060 0.10100 79 2PY -0.04579 -0.03324 0.21489 -0.08786 -0.01361 80 2PZ 0.02588 0.07652 0.01023 -0.07316 -0.04811 81 3S -1.32453 -0.22348 2.61974 -0.96456 0.04753 82 3PX -0.47483 0.06253 1.07913 -0.15585 -0.13423 83 3PY 1.65947 0.35596 -2.84461 1.10637 0.37718 84 3PZ 0.00406 0.02675 -0.04393 -0.01817 -0.02546 85 4XX 0.06229 0.05989 -0.02131 -0.06121 0.07666 86 4YY -0.05919 -0.05614 -0.02476 0.02158 0.03810 87 4ZZ 0.01189 0.00096 0.02950 0.05229 -0.11538 88 4XY -0.02870 -0.02552 -0.06015 0.07622 0.03100 89 4XZ -0.00850 -0.21403 0.01779 0.15090 -0.13729 90 4YZ -0.07746 0.32931 -0.07283 -0.19729 -0.21014 91 7 C 1S 0.01468 -0.00462 0.03205 -0.02063 0.00513 92 2S 0.27344 -0.03573 0.67442 -0.28993 0.09656 93 2PX -0.29466 -0.02166 -0.08487 0.05220 -0.03104 94 2PY 0.07662 0.01777 -0.21100 0.06519 0.03296 95 2PZ -0.06949 0.01583 -0.03113 -0.01077 0.08021 96 3S -1.28649 0.67714 -2.95182 2.46710 -0.85989 97 3PX 0.90888 0.15795 2.31649 -0.42186 0.68248 98 3PY 0.96426 -0.49695 2.34007 -1.65048 0.64800 99 3PZ 0.29803 0.00895 0.56387 -0.16835 0.19505 100 4XX 0.04920 -0.10120 0.01125 -0.00825 0.03877 101 4YY -0.07124 -0.00834 0.02658 -0.00102 -0.03806 102 4ZZ 0.01923 0.10407 -0.01911 -0.00223 0.00089 103 4XY -0.01746 -0.04602 -0.06012 -0.01744 -0.03684 104 4XZ -0.01210 0.24493 -0.04270 -0.19772 0.04357 105 4YZ -0.05146 0.11792 0.04083 0.18074 0.17503 106 8 H 1S -0.12488 0.00895 -0.55641 0.15698 -0.17221 107 2S -0.44036 0.04469 -0.92684 0.36241 -0.25862 108 9 H 1S -0.28824 -0.03771 0.49304 -0.14309 -0.11062 109 2S -0.50262 -0.07604 0.89614 -0.28007 -0.17076 110 10 H 1S 0.58720 0.04027 0.04948 -0.01410 0.11453 111 2S 1.04231 0.07745 0.09437 -0.02359 0.20873 112 11 H 1S -0.19001 0.03270 -0.53536 0.21502 -0.09002 113 2S -0.32485 0.05838 -0.97371 0.39014 -0.14791 114 12 H 1S -0.22359 -0.00863 0.48656 -0.09135 -0.19390 115 2S -0.56027 -0.09017 0.83010 -0.24896 -0.34008 116 13 C 1S -0.03387 0.00447 0.01076 0.00758 0.00633 117 2S -0.34984 0.08810 0.17722 0.03748 0.05358 118 2PX -0.13285 0.07305 0.00623 0.15847 0.07261 119 2PY 0.00531 -0.00772 0.04161 0.05151 -0.00825 120 2PZ -0.00740 0.03126 -0.00310 0.03576 0.00311 121 3S 2.16070 -0.53511 -0.59566 -0.62821 -0.74747 122 3PX 0.26310 -0.99500 -0.56352 -1.60473 -0.17620 123 3PY -0.27002 -0.09207 -0.15903 -0.20807 0.03346 124 3PZ 0.67069 -0.14889 0.15740 -0.51917 -0.38349 125 4XX -0.03511 0.01452 -0.01992 -0.03565 -0.05059 126 4YY 0.02021 0.02942 0.05491 0.11515 -0.04859 127 4ZZ -0.00756 -0.04265 -0.02878 -0.09211 0.07790 128 4XY -0.11851 -0.01579 0.00220 0.02998 0.29623 129 4XZ -0.07732 0.00320 0.00674 0.01571 0.05981 130 4YZ -0.00259 -0.03098 -0.07300 -0.09004 0.14919 131 14 C 1S 0.02061 -0.03367 -0.03391 -0.04079 -0.01137 132 2S 0.29704 -0.48174 -0.46467 -0.46258 -0.11909 133 2PX 0.00025 0.01887 0.04065 -0.04561 -0.00288 134 2PY 0.07280 0.02209 0.01558 -0.00871 -0.08766 135 2PZ -0.04751 0.00631 -0.01012 0.02217 -0.01232 136 3S -1.34418 1.82850 1.51875 2.27134 0.60052 137 3PX 0.40705 -0.42634 -0.34720 -0.59110 -0.20331 138 3PY -0.07624 -0.07171 -0.05626 0.00541 -0.00013 139 3PZ 0.11404 -0.09720 -0.08428 -0.16316 0.05469 140 4XX -0.05802 -0.00476 -0.01695 -0.00707 0.08015 141 4YY 0.12109 -0.00404 0.01458 -0.00332 -0.22008 142 4ZZ -0.03199 -0.03700 -0.03963 -0.02859 0.12850 143 4XY 0.10139 0.02445 0.01838 -0.00349 -0.28805 144 4XZ -0.01039 0.02360 0.00555 0.05278 -0.07412 145 4YZ 0.10994 0.01911 0.01332 -0.00677 -0.20791 146 15 H 1S 0.05477 -0.12395 -0.12619 -0.14805 0.02245 147 2S 0.21694 -0.11837 -0.10134 -0.15810 -0.05363 148 16 H 1S 0.07066 -0.11786 -0.11774 -0.14282 -0.01867 149 2S 0.06144 -0.15614 -0.11722 -0.14025 -0.09084 150 17 H 1S 0.10009 -0.12062 -0.13463 -0.14336 -0.12755 151 2S -0.02325 -0.18032 -0.15440 -0.14451 0.06095 152 18 H 1S -0.00774 -0.05454 0.03838 -0.13645 0.00131 153 2S 0.06332 -0.09405 0.10686 -0.32322 -0.11850 154 19 H 1S 0.26423 0.14452 0.13370 0.18364 -0.18792 155 2S 0.35410 0.20141 0.16817 -0.05014 -0.19114 156 20 H 1S 0.15345 0.18895 0.10453 0.32855 -0.09939 157 2S 0.18494 0.22699 0.05989 0.35919 -0.12244 106 107 108 109 110 V V V V V Eigenvalues -- 1.50093 1.50318 1.52195 1.56526 1.75343 1 1 C 1S 0.00249 0.03631 0.00438 -0.10014 0.00854 2 2S -0.07883 0.30750 0.06541 -1.28399 0.09853 3 2PX 0.08134 0.12569 -0.01104 -0.05066 0.25132 4 2PY -0.00114 0.01428 0.00040 -0.02394 -0.01952 5 2PZ 0.04147 0.03455 -0.01318 0.04463 -0.12491 6 3S -0.77939 -2.76642 -0.12153 6.10362 -0.31781 7 3PX 0.15860 0.62400 0.05496 -1.09769 0.41814 8 3PY -0.41519 -0.41969 0.10507 0.36293 1.17637 9 3PZ -0.27205 -0.11124 0.04542 -0.75570 0.72789 10 4XX -0.05086 -0.00690 0.01565 0.13486 0.19072 11 4YY 0.02919 0.01984 -0.00633 -0.07558 -0.10842 12 4ZZ 0.01914 0.01733 -0.00468 -0.15792 -0.08606 13 4XY 0.05029 0.04370 -0.01115 -0.01636 -0.21320 14 4XZ 0.08012 -0.02803 -0.03750 -0.03965 0.00337 15 4YZ -0.08605 0.04454 0.01224 0.04695 0.13153 16 2 C 1S -0.00416 -0.00509 0.00050 0.01154 0.00580 17 2S -0.14353 -0.12510 0.03178 -0.03078 -0.15341 18 2PX -0.22114 -0.32468 0.03349 0.31566 -0.14566 19 2PY -0.00943 0.05635 0.01134 -0.10707 0.13541 20 2PZ 0.00173 -0.00698 -0.00636 0.03001 -0.00931 21 3S 0.01244 0.11432 0.04682 -0.35456 -0.27951 22 3PX 1.78104 3.17666 -0.20039 -4.19137 0.79011 23 3PY 0.47641 -0.33587 -0.26256 1.28237 -2.17860 24 3PZ 0.33896 0.33518 -0.00132 -0.46491 -0.38507 25 4XX 0.02338 -0.04440 -0.00255 0.07901 0.28504 26 4YY 0.03814 0.02992 0.01017 0.02685 -0.12566 27 4ZZ -0.06961 0.00914 -0.00561 -0.15171 -0.17623 28 4XY 0.06841 0.03661 0.01297 -0.02465 -0.08409 29 4XZ -0.21553 -0.00944 0.03992 0.12237 -0.10508 30 4YZ -0.20529 -0.22065 -0.12182 -0.04734 0.02919 31 3 C 1S -0.00766 -0.00737 0.00270 0.00196 -0.00154 32 2S -0.07905 -0.06952 0.03707 0.10984 -0.03603 33 2PX 0.10505 0.10334 0.00307 0.03693 0.01470 34 2PY 0.01727 0.04504 0.01694 -0.06614 -0.02219 35 2PZ -0.10927 0.01710 -0.10134 -0.01450 -0.01877 36 3S 1.21893 1.23403 -0.37156 -1.00340 -0.24796 37 3PX -0.31830 -0.67771 0.02742 0.61435 -0.94518 38 3PY 0.89889 1.16699 -0.23530 -1.44689 -0.00003 39 3PZ 0.01396 0.01185 0.01113 -0.00320 -0.02869 40 4XX 0.02076 -0.10658 0.05771 0.02515 -0.04195 41 4YY -0.02298 0.00937 -0.05207 0.09101 0.09345 42 4ZZ 0.01112 0.11533 -0.00618 -0.15111 -0.04717 43 4XY -0.02099 -0.00782 -0.05368 -0.02790 -0.13921 44 4XZ -0.12666 0.25074 -0.18600 0.06598 0.05897 45 4YZ 0.31496 0.03275 0.36862 0.00755 0.16876 46 4 C 1S 0.00066 -0.00284 -0.00173 0.00193 -0.00090 47 2S -0.01871 -0.11430 -0.02997 0.15597 0.05941 48 2PX -0.07213 -0.13165 0.02255 0.16521 0.00404 49 2PY 0.01442 0.01698 0.00255 -0.05188 -0.01472 50 2PZ 0.03520 0.01901 -0.11496 0.04058 0.00921 51 3S -0.29631 -0.20886 0.18629 0.14717 -0.87421 52 3PX -0.03265 0.15023 0.08317 -0.33644 -0.41975 53 3PY 0.07837 0.36190 0.09048 -0.29638 -0.07318 54 3PZ -0.00817 0.10085 0.08311 -0.08943 -0.09921 55 4XX -0.07755 -0.00343 -0.09202 0.07788 0.04809 56 4YY 0.05623 -0.01190 -0.04527 0.06700 -0.01924 57 4ZZ 0.02022 0.01430 0.13706 -0.16242 -0.04234 58 4XY 0.05015 0.00746 -0.07607 0.02515 0.04537 59 4XZ 0.15631 -0.14793 0.31763 0.02986 -0.01446 60 4YZ -0.34241 0.05944 0.29468 0.00118 0.01549 61 5 C 1S 0.00482 0.00772 -0.00005 -0.00927 -0.01038 62 2S 0.11249 0.17972 -0.00331 -0.18662 -0.10525 63 2PX 0.01173 0.06970 0.00078 -0.04750 -0.01117 64 2PY -0.02869 -0.01269 0.00988 0.02249 0.00034 65 2PZ 0.12019 -0.09848 -0.00887 -0.00744 0.00008 66 3S -0.42156 -0.66117 -0.00716 0.60826 0.91170 67 3PX -0.52252 -0.82731 0.02340 0.72539 0.65742 68 3PY 0.08379 0.21277 0.01577 -0.20876 0.03727 69 3PZ -0.05727 -0.13628 0.00751 0.10671 0.10457 70 4XX 0.08960 -0.12970 -0.00294 0.07209 0.05531 71 4YY -0.02497 -0.01101 0.01059 0.02064 -0.03736 72 4ZZ -0.05725 0.15435 -0.00833 -0.12950 -0.02492 73 4XY -0.03224 -0.04242 0.02430 -0.02163 0.03319 74 4XZ -0.33474 0.34940 0.01274 0.05044 -0.02442 75 4YZ 0.28250 0.11363 -0.11085 0.04070 0.02420 76 6 C 1S -0.00393 -0.00479 0.00085 0.00430 0.00525 77 2S -0.13377 -0.14010 0.03124 0.17572 0.21935 78 2PX -0.07380 -0.11313 -0.00971 0.15946 0.06733 79 2PY 0.03566 0.03120 -0.01871 -0.02562 -0.02018 80 2PZ -0.03864 -0.06307 0.11160 0.01509 0.00993 81 3S 0.14770 -0.00205 -0.05469 -0.13694 -1.20532 82 3PX 0.08657 0.13464 -0.00382 -0.38770 -0.26394 83 3PY -0.45102 -0.46824 0.12624 0.54337 0.89293 84 3PZ -0.08977 -0.02649 -0.04785 -0.01525 0.01023 85 4XX -0.05271 0.04131 0.05690 0.05748 -0.04288 86 4YY -0.01273 0.01715 -0.04688 0.08801 0.06519 87 4ZZ 0.06028 -0.05954 -0.00780 -0.16558 -0.03565 88 4XY -0.02541 0.07233 -0.04503 -0.02240 0.02647 89 4XZ 0.12694 -0.25683 -0.19850 0.03587 -0.02466 90 4YZ 0.04390 -0.25255 0.38954 0.00040 0.00789 91 7 C 1S 0.00202 -0.00399 -0.00173 0.00385 -0.02041 92 2S -0.02012 -0.10018 -0.01661 0.05704 -0.09169 93 2PX -0.00602 -0.00110 -0.01118 0.05677 0.07279 94 2PY -0.03166 -0.05433 -0.00004 0.08234 -0.03202 95 2PZ 0.00250 0.08113 0.11606 0.04026 0.00313 96 3S -0.16590 0.72039 0.20039 -1.18894 2.38346 97 3PX -0.58848 -0.91816 0.05750 0.64473 -0.17972 98 3PY -0.03621 -0.64058 -0.12444 1.13010 -1.03716 99 3PZ -0.09690 -0.11810 -0.05064 0.13402 -0.00637 100 4XX 0.06996 -0.08626 -0.10949 0.07003 -0.03564 101 4YY -0.03056 -0.01703 -0.03326 0.04458 0.11275 102 4ZZ -0.03369 0.11006 0.14205 -0.14641 -0.06067 103 4XY -0.00538 -0.03281 -0.07561 0.03061 0.13456 104 4XZ -0.22251 0.16071 0.33212 0.05150 -0.01353 105 4YZ 0.15121 0.14490 0.30907 0.09884 -0.09890 106 8 H 1S 0.12285 0.21984 -0.00028 -0.27990 -0.14725 107 2S 0.16179 0.32235 0.00720 -0.37890 0.20972 108 9 H 1S 0.08882 0.12196 -0.02134 -0.18779 -0.11801 109 2S 0.15148 0.19627 -0.03624 -0.29271 -0.22503 110 10 H 1S -0.08685 -0.13603 0.00733 0.07219 0.03017 111 2S -0.16068 -0.25444 0.01056 0.17223 0.13412 112 11 H 1S 0.03528 0.11085 0.01492 -0.16398 -0.03997 113 2S 0.05327 0.18247 0.02994 -0.24035 -0.06662 114 12 H 1S 0.12573 0.21229 -0.02266 -0.35185 -0.06925 115 2S 0.26595 0.38335 -0.06030 -0.47376 0.08678 116 13 C 1S -0.00740 -0.00720 0.00227 0.03536 -0.00762 117 2S -0.04972 -0.08082 -0.01035 0.43321 0.20769 118 2PX -0.12767 -0.11253 0.04470 0.09939 -0.10170 119 2PY -0.00324 -0.00988 0.00363 0.07478 -0.01125 120 2PZ -0.03843 -0.02556 0.00288 -0.02042 0.10636 121 3S 0.71101 0.92041 -0.13817 -2.59159 -0.23589 122 3PX 1.05933 0.72511 -0.28876 -0.17301 -0.02860 123 3PY 0.09256 0.05718 -0.02232 0.35218 0.04958 124 3PZ 0.47827 0.49609 -0.09120 -0.44228 -1.37530 125 4XX 0.02808 0.03152 0.00175 0.04137 -0.13942 126 4YY -0.03912 0.03976 0.01717 0.03128 0.17293 127 4ZZ 0.01266 -0.05769 -0.02049 -0.06691 -0.03111 128 4XY -0.13033 -0.19681 0.01434 -0.25976 -0.03221 129 4XZ -0.04763 -0.03175 0.01178 -0.02381 0.39776 130 4YZ -0.03905 -0.13979 -0.00511 -0.23373 -0.22018 131 14 C 1S 0.03133 0.02542 -0.00721 -0.03037 -0.00459 132 2S 0.37135 0.28074 -0.09714 -0.26402 0.01058 133 2PX 0.01059 0.00968 0.00103 -0.06060 -0.01891 134 2PY 0.03252 0.06290 -0.00085 0.01941 0.00001 135 2PZ -0.00720 0.00208 0.00503 0.07114 -0.10994 136 3S -1.71516 -1.35585 0.42986 1.37763 0.27419 137 3PX 0.49402 0.43525 -0.12003 -0.45355 -0.19423 138 3PY 0.03763 0.00610 -0.01435 0.02067 0.02758 139 3PZ 0.06372 -0.01095 -0.03333 -0.18570 0.47923 140 4XX -0.03420 -0.05540 0.00579 -0.08707 0.17395 141 4YY 0.10234 0.15650 -0.01401 0.18287 -0.12663 142 4ZZ -0.03665 -0.07626 0.00031 -0.12218 -0.05293 143 4XY 0.12324 0.19921 -0.01311 0.26037 0.05800 144 4XZ 0.00762 0.02454 0.00187 0.24715 -0.46809 145 4YZ 0.08832 0.14119 -0.00871 0.06742 0.11785 146 15 H 1S 0.08264 0.03770 -0.02401 -0.12823 -0.05827 147 2S 0.10053 0.07893 -0.02561 -0.17602 0.10792 148 16 H 1S 0.10391 0.08987 -0.02373 -0.13611 0.02945 149 2S 0.12187 0.11147 -0.02347 0.04834 -0.21310 150 17 H 1S 0.15134 0.14698 -0.03038 -0.02444 -0.00044 151 2S 0.07274 -0.00097 -0.02991 -0.02471 0.08012 152 18 H 1S 0.06995 0.04355 -0.01178 0.09263 -0.45229 153 2S 0.26669 0.18154 -0.06728 0.09668 -0.49405 154 19 H 1S 0.06402 0.18288 0.02553 -0.24711 -0.16205 155 2S 0.12605 0.24943 -0.01606 -0.21940 -0.30605 156 20 H 1S -0.08116 0.08002 0.04341 -0.39633 0.28871 157 2S -0.09274 0.07064 0.04625 -0.39417 0.47280 111 112 113 114 115 V V V V V Eigenvalues -- 1.77460 1.80103 1.82680 1.82884 1.89644 1 1 C 1S 0.02516 0.00694 -0.04956 0.02068 0.03713 2 2S -0.14461 0.37816 -0.49962 -0.07264 0.02193 3 2PX -0.08771 -0.17169 0.01067 0.17222 0.24739 4 2PY -0.05605 0.04567 0.02786 0.02039 -0.05089 5 2PZ 0.03388 -0.01999 0.05113 0.04480 0.05053 6 3S -0.74973 -0.78706 2.76502 -0.98341 -3.69593 7 3PX -0.39965 0.07028 -0.68455 -0.04386 0.78610 8 3PY -0.21037 -0.19157 0.61193 -1.28956 -0.18159 9 3PZ 0.60765 0.33647 -0.43625 -0.45367 0.27679 10 4XX 0.21818 -0.08218 -0.22477 0.20842 0.02302 11 4YY -0.10906 0.03900 -0.07653 -0.02933 0.00932 12 4ZZ -0.10189 0.02541 0.30812 -0.16711 0.00641 13 4XY 0.04620 0.06213 -0.28150 0.37251 -0.12555 14 4XZ -0.16112 -0.14443 -0.08373 0.26674 0.02603 15 4YZ 0.19433 0.10455 -0.22863 0.04840 -0.04678 16 2 C 1S 0.00605 -0.01593 0.01336 0.00688 0.05456 17 2S -0.01770 -0.18644 0.33777 -0.00562 0.58655 18 2PX -0.09570 0.04024 0.11958 -0.25452 -0.26956 19 2PY -0.04686 -0.17476 -0.10199 -0.36420 0.10932 20 2PZ -0.04103 -0.01198 0.04464 -0.04601 -0.02242 21 3S 0.43449 1.26479 -1.13732 -1.36583 -8.20648 22 3PX 0.17962 -0.34055 -1.96779 2.65369 7.43286 23 3PY 0.68874 0.62839 -0.71561 3.27512 -2.19602 24 3PZ -0.37646 -0.27405 -0.37917 0.94495 1.04162 25 4XX 0.12504 -0.24757 -0.07676 0.05246 0.11408 26 4YY -0.12444 0.34559 -0.09083 0.01317 -0.00277 27 4ZZ 0.04444 -0.14651 0.22095 -0.07444 -0.22877 28 4XY -0.11024 -0.04265 -0.07637 -0.33197 0.00067 29 4XZ -0.22695 -0.13813 -0.06922 0.09717 0.04446 30 4YZ 0.02336 0.06023 -0.05516 -0.07060 0.01974 31 3 C 1S 0.00289 0.00470 0.01399 -0.03303 -0.06336 32 2S 0.18068 -0.10381 0.05392 -0.24082 -1.14568 33 2PX 0.05772 0.07159 0.08034 0.22475 0.08207 34 2PY 0.06523 0.00795 -0.02403 0.06570 -0.08715 35 2PZ -0.00691 0.00212 0.00315 0.04914 0.00822 36 3S -0.07879 -0.89844 -1.10995 4.55713 9.62396 37 3PX 0.21420 0.31732 -0.37053 0.52264 -2.58484 38 3PY -0.19944 -0.49401 -0.60604 1.92265 5.97074 39 3PZ 0.20159 0.12042 -0.08923 0.13177 0.01341 40 4XX -0.11928 0.27709 0.03681 -0.03165 0.07276 41 4YY -0.04116 -0.23435 -0.10460 0.03671 0.05727 42 4ZZ 0.20588 -0.13815 0.11398 0.03805 -0.02944 43 4XY -0.10236 -0.09350 -0.21347 -0.19095 0.01540 44 4XZ 0.01684 0.12635 -0.03230 -0.08220 0.01832 45 4YZ 0.20479 0.11174 -0.07635 -0.18596 0.01026 46 4 C 1S 0.00130 -0.01393 0.00582 0.01630 0.06483 47 2S 0.11192 -0.38928 0.15417 0.46267 0.93630 48 2PX 0.03568 -0.18934 -0.04724 0.00352 0.04013 49 2PY 0.03319 0.06860 0.11049 0.11812 0.02159 50 2PZ 0.02351 -0.01946 0.00061 0.00237 0.00550 51 3S 0.23506 1.65827 -0.11149 -2.22678 -9.82219 52 3PX 0.16915 0.86428 0.00073 -0.92512 -4.04835 53 3PY 0.11648 0.46360 -0.09559 -1.58269 -4.12653 54 3PZ -0.00135 0.15913 -0.01368 -0.25713 -0.98896 55 4XX -0.01742 0.27409 0.16742 0.12451 -0.01045 56 4YY -0.08043 -0.12116 -0.25437 -0.15733 -0.04867 57 4ZZ 0.14992 -0.20996 0.14026 0.02901 -0.08690 58 4XY 0.04190 -0.08957 0.08647 0.09709 -0.16978 59 4XZ -0.09724 0.05443 0.01132 0.06738 0.00777 60 4YZ 0.00938 0.00701 -0.02322 -0.01368 -0.02540 61 5 C 1S 0.00776 0.00625 0.00345 -0.01384 -0.06277 62 2S 0.15613 -0.01365 0.08639 -0.13853 -1.10242 63 2PX 0.02722 -0.06238 0.00504 -0.03119 -0.04206 64 2PY -0.02818 -0.11974 -0.13692 -0.17381 0.00564 65 2PZ 0.00296 -0.01983 -0.00861 -0.01879 -0.00809 66 3S -0.59259 -1.25105 0.09381 1.75839 9.26143 67 3PX -0.24261 -0.95270 0.22467 1.05281 5.92888 68 3PY -0.01503 0.33708 0.24415 -0.32098 -1.22742 69 3PZ -0.05182 -0.14198 0.05202 0.16948 0.91730 70 4XX 0.00012 0.07788 0.07728 0.08019 -0.15285 71 4YY -0.10005 0.08554 -0.18736 -0.11290 0.13627 72 4ZZ 0.13679 -0.23778 0.16464 0.05768 0.09859 73 4XY 0.02204 0.22127 0.21406 0.13848 0.08525 74 4XZ -0.11019 0.03632 0.01449 0.07079 -0.03748 75 4YZ -0.00005 0.07563 0.00446 -0.00063 0.01327 76 6 C 1S 0.00074 -0.01504 0.01003 0.00490 0.06643 77 2S 0.07136 -0.45622 0.21282 0.03389 1.00051 78 2PX 0.04519 0.01504 0.19208 0.07317 0.05115 79 2PY -0.01474 0.11143 -0.00278 0.08141 -0.06360 80 2PZ 0.02783 0.02009 0.01720 0.01021 0.00224 81 3S 0.08055 1.73425 0.01352 -1.67368 -9.77555 82 3PX -0.16517 0.32010 -0.05251 -0.65682 -1.92566 83 3PY -0.34217 -1.06824 0.23064 0.39715 5.62642 84 3PZ -0.11225 -0.05266 0.05018 -0.06284 0.08237 85 4XX -0.07659 0.06266 -0.21142 -0.15000 0.08332 86 4YY -0.00473 0.08595 0.10617 0.11123 -0.17255 87 4ZZ 0.13276 -0.20730 0.14859 0.02383 -0.05874 88 4XY 0.01836 0.22224 0.15908 0.12744 0.11401 89 4XZ -0.12685 0.02808 -0.03562 0.01764 0.04016 90 4YZ 0.00611 0.06636 0.01656 0.03150 0.01068 91 7 C 1S 0.00813 0.00806 0.00070 0.00165 -0.06719 92 2S 0.17010 -0.03439 0.14410 -0.04006 -1.13588 93 2PX 0.01615 -0.12093 -0.12993 -0.12546 0.09108 94 2PY 0.00045 0.12240 -0.03115 0.17114 -0.01387 95 2PZ -0.03128 -0.02672 0.00578 0.00146 0.01465 96 3S -0.71574 -1.49584 0.32792 -0.57449 10.22146 97 3PX -0.28593 0.50009 1.01868 -1.60261 -4.22633 98 3PY 0.39316 0.34647 -0.12367 0.17401 -4.65486 99 3PZ 0.20035 0.22550 0.07982 -0.36558 -1.03259 100 4XX -0.08955 -0.07960 -0.23259 -0.10585 0.02978 101 4YY 0.05214 0.20426 0.09880 0.19032 0.03481 102 4ZZ 0.08017 -0.21805 0.22598 -0.07306 0.04318 103 4XY 0.11937 -0.21811 0.01457 0.03483 -0.03472 104 4XZ -0.04267 -0.00097 -0.10665 0.01524 -0.00580 105 4YZ -0.23925 -0.13797 0.01939 0.19103 -0.01298 106 8 H 1S -0.02181 0.12790 -0.09237 0.06225 0.44244 107 2S 0.05342 -0.14278 -0.22987 0.44038 1.39505 108 9 H 1S 0.05260 0.11972 -0.05591 -0.00884 -0.21527 109 2S 0.11228 0.21053 -0.05261 -0.08307 -1.31966 110 10 H 1S 0.01608 -0.08053 0.02516 0.04349 0.60006 111 2S -0.01551 -0.28013 0.08471 0.24330 1.33910 112 11 H 1S 0.03413 0.08433 -0.01842 -0.22267 -0.21715 113 2S 0.07814 0.15728 0.00030 -0.42450 -1.28611 114 12 H 1S -0.07068 0.10496 -0.02920 -0.11317 0.45487 115 2S -0.02095 -0.19618 -0.10155 0.30913 1.48366 116 13 C 1S -0.00835 -0.00099 0.01417 -0.00186 -0.00671 117 2S -0.05996 -0.04028 -0.02978 0.03088 -0.19175 118 2PX 0.03524 0.00997 -0.02321 -0.04520 -0.07949 119 2PY 0.03882 0.03097 0.04451 -0.03377 -0.03767 120 2PZ -0.03994 0.00033 -0.01948 -0.03933 0.00147 121 3S 0.65374 0.41315 -0.74108 0.41182 0.86662 122 3PX -0.44343 -0.15677 0.69718 0.27503 0.27404 123 3PY -0.53764 -0.20199 0.16909 0.07949 -0.19745 124 3PZ 0.84087 0.17243 0.05659 0.29281 0.65504 125 4XX -0.20468 -0.06838 0.23442 -0.03163 0.11192 126 4YY 0.25393 0.15651 -0.01335 -0.25525 0.05884 127 4ZZ -0.03331 -0.07644 -0.25703 0.31539 -0.15583 128 4XY 0.09111 0.06624 0.04303 -0.07591 0.04287 129 4XZ -0.13519 -0.01062 0.08084 -0.08209 0.01489 130 4YZ -0.23199 -0.09644 0.02474 0.08040 0.03202 131 14 C 1S -0.01041 -0.00065 0.01035 0.00162 0.01594 132 2S 0.14624 0.03414 -0.18366 0.09196 0.04558 133 2PX -0.10360 -0.02023 0.13009 0.00195 0.06687 134 2PY -0.02847 -0.01931 0.03381 -0.00903 0.00462 135 2PZ 0.04007 -0.00570 0.01751 -0.01208 0.03131 136 3S -0.10169 -0.04583 -0.09361 -0.44529 -0.64669 137 3PX 0.14204 0.05793 -0.02661 0.13263 0.24350 138 3PY 0.18285 0.06264 -0.14963 0.05028 0.04073 139 3PZ -0.43504 -0.07255 0.02920 0.07699 -0.22982 140 4XX -0.25818 -0.03415 0.13697 -0.02621 0.01553 141 4YY 0.17048 0.04711 0.00285 -0.07595 0.03153 142 4ZZ 0.09765 -0.00293 -0.14531 0.09511 -0.04997 143 4XY -0.18706 -0.05081 0.14834 -0.08719 -0.07677 144 4XZ 0.35891 -0.01848 0.06175 -0.09529 0.20763 145 4YZ -0.30897 -0.02161 0.10131 -0.04476 -0.10848 146 15 H 1S -0.09604 -0.02205 0.06144 0.01578 0.04759 147 2S -0.09604 -0.01777 0.02174 0.01300 -0.03940 148 16 H 1S -0.01782 0.02256 0.07266 -0.04566 0.11034 149 2S 0.21677 0.01878 -0.05110 0.05630 0.09576 150 17 H 1S -0.06587 -0.03373 0.03234 0.02751 0.03380 151 2S 0.04925 0.00987 -0.07782 0.04515 -0.02336 152 18 H 1S 0.13717 0.03982 0.27219 -0.14415 0.17838 153 2S 0.25155 0.00328 0.13241 0.14442 0.16995 154 19 H 1S 0.02690 -0.02674 -0.25936 0.23800 0.11762 155 2S -0.18730 0.01090 -0.02304 0.22263 0.05449 156 20 H 1S 0.16482 0.04924 -0.08970 -0.06770 0.13226 157 2S -0.06377 0.04190 0.01510 -0.40259 0.15456 116 117 118 119 120 V V V V V Eigenvalues -- 1.91068 1.92706 1.96916 1.98284 2.00035 1 1 C 1S -0.07668 0.04839 0.02263 0.00702 0.00998 2 2S -0.70444 0.31061 -0.03467 -0.00656 -0.26191 3 2PX -0.03199 0.07368 -0.14124 0.05657 -0.00940 4 2PY 0.00907 -0.01341 -0.06014 0.01922 -0.11848 5 2PZ -0.03939 0.04230 0.08494 0.01784 0.05695 6 3S 4.27986 -1.19578 -0.59025 -0.35464 -0.02953 7 3PX -0.81153 -0.33805 -0.37888 0.26448 0.50561 8 3PY 0.22350 0.12542 0.13361 0.06036 0.28103 9 3PZ -0.21906 -0.15305 -0.07655 -0.12277 -0.40830 10 4XX -0.00533 0.17361 0.10149 -0.01243 -0.01870 11 4YY 0.03845 -0.17497 -0.12233 -0.02761 0.04476 12 4ZZ -0.03840 -0.01656 -0.00816 0.04875 -0.02576 13 4XY 0.17694 -0.23762 0.22448 -0.09975 -0.17903 14 4XZ -0.01987 0.21325 -0.15335 0.00470 -0.34791 15 4YZ 0.19717 -0.28512 -0.41079 -0.04382 -0.33012 16 2 C 1S 0.01810 -0.04213 0.00402 0.00093 0.00797 17 2S 0.09307 -1.02914 0.15021 -0.05480 0.09090 18 2PX 0.32038 -0.09313 0.04907 -0.03075 -0.03553 19 2PY -0.14064 0.04590 0.02486 0.25113 0.02619 20 2PZ 0.02681 0.02793 -0.01638 0.02555 -0.04041 21 3S -0.05402 6.17388 -0.66653 -0.11687 -0.91947 22 3PX -3.05821 -2.36924 -0.03307 0.50602 0.93599 23 3PY 1.53731 -0.15102 0.21853 -1.23592 -0.96058 24 3PZ -0.42186 -0.25750 0.04590 0.06484 0.20111 25 4XX -0.08151 0.30553 -0.07037 0.07574 0.11958 26 4YY 0.03299 -0.11025 0.02410 -0.03831 -0.10313 27 4ZZ 0.07456 -0.14170 0.01372 -0.02539 -0.01363 28 4XY -0.02602 -0.04795 -0.06604 0.02778 0.12656 29 4XZ -0.01980 0.07178 0.00193 0.01512 0.12217 30 4YZ 0.00620 -0.02517 -0.08912 0.00893 -0.05440 31 3 C 1S 0.01710 0.03260 -0.00005 0.00476 -0.00881 32 2S 0.12541 0.41380 0.08413 -0.01706 -0.31176 33 2PX 0.08507 0.10990 -0.01510 0.10832 0.02823 34 2PY 0.05798 -0.01745 0.10934 0.08903 -0.14717 35 2PZ 0.01433 0.02168 0.00876 0.02034 -0.01646 36 3S -1.02685 -4.93362 0.13529 -0.27352 1.03218 37 3PX 0.68192 0.17036 0.29359 -0.81551 -0.54350 38 3PY -1.08650 -3.03567 0.07799 0.40405 0.66240 39 3PZ 0.06727 -0.29441 0.01687 -0.12245 -0.03595 40 4XX -0.01694 0.02520 0.03900 0.15036 -0.03119 41 4YY -0.18015 0.14163 -0.12798 -0.33527 0.19864 42 4ZZ 0.22521 -0.25115 0.10865 0.13141 -0.17359 43 4XY 0.14139 0.00302 0.08538 0.21800 -0.09300 44 4XZ -0.00931 -0.00576 -0.03644 0.01054 0.02394 45 4YZ 0.04790 -0.13235 -0.05420 -0.04375 0.01245 46 4 C 1S 0.01345 -0.03669 0.00410 0.00776 0.00080 47 2S 0.10178 -0.63593 0.03607 0.17785 0.06324 48 2PX 0.21867 0.04080 0.02187 -0.00642 0.00040 49 2PY 0.00520 -0.06870 0.00566 0.20124 -0.01227 50 2PZ 0.04487 -0.01021 -0.00319 0.01493 0.00666 51 3S 0.65195 4.71030 -0.26626 -1.19940 -0.93661 52 3PX 0.26516 1.82623 0.07260 0.11779 -0.53082 53 3PY 0.41115 2.85936 -0.26514 -0.15805 -0.28379 54 3PZ 0.06534 0.54270 0.01180 0.00479 -0.11784 55 4XX -0.09529 0.03932 -0.08163 -0.01114 0.10975 56 4YY -0.11787 -0.04656 0.02404 -0.21686 -0.05215 57 4ZZ 0.24820 0.04422 0.03310 0.19113 -0.06300 58 4XY -0.33351 -0.17080 -0.09412 -0.40499 0.03781 59 4XZ -0.11461 0.03181 -0.00584 -0.06917 0.03281 60 4YZ -0.08403 -0.06538 -0.00378 -0.11388 0.04005 61 5 C 1S 0.02283 0.03676 -0.00391 -0.00266 -0.00601 62 2S 0.08969 0.51317 -0.07681 -0.01906 -0.07712 63 2PX 0.08717 0.05911 -0.00402 0.04905 0.01212 64 2PY -0.00778 -0.04726 0.07983 0.17835 -0.06535 65 2PZ 0.01456 0.00926 0.00596 0.02201 -0.00507 66 3S -1.17417 -5.49191 0.42168 0.26143 0.86200 67 3PX -0.15931 -2.90845 0.18859 0.08634 0.68058 68 3PY -0.12913 0.83231 -0.34816 -0.51392 0.15275 69 3PZ -0.04185 -0.41659 -0.00560 -0.01587 0.11277 70 4XX -0.44342 -0.30526 -0.00170 0.01282 -0.02851 71 4YY 0.17765 0.16880 0.04138 -0.02799 0.01115 72 4ZZ 0.26024 0.01538 -0.03985 0.01454 0.02407 73 4XY 0.14845 0.17816 -0.06940 0.13351 0.13684 74 4XZ -0.14862 0.01618 -0.02782 0.03031 -0.05668 75 4YZ 0.03135 0.02152 -0.03130 0.01866 0.01779 76 6 C 1S 0.01094 -0.03373 -0.00198 -0.00510 0.01214 77 2S 0.01347 -0.60413 0.02107 -0.15629 0.12466 78 2PX 0.16064 0.10633 -0.00630 0.07720 0.03307 79 2PY -0.05887 0.04151 0.01356 0.20062 -0.00299 80 2PZ 0.02366 0.00973 0.01267 0.02414 0.02270 81 3S 0.54878 4.83587 -0.21074 0.39221 -1.30089 82 3PX -0.21357 0.81564 -0.19322 -0.37690 -0.17811 83 3PY -0.69535 -3.29532 0.22514 0.23476 0.63145 84 3PZ -0.09064 -0.06952 -0.02914 -0.03999 -0.01726 85 4XX 0.12341 0.08776 0.03259 -0.19152 0.01479 86 4YY -0.30911 -0.16340 0.07082 0.43168 -0.09461 87 4ZZ 0.22464 0.09952 -0.09760 -0.22837 0.03606 88 4XY 0.18560 0.16415 -0.09840 -0.20271 0.11755 89 4XZ -0.01512 0.05944 -0.02017 0.00529 -0.06234 90 4YZ -0.01907 0.02031 0.00868 0.02798 0.01476 91 7 C 1S 0.02211 0.02933 -0.00384 -0.01256 -0.00927 92 2S 0.07201 0.52272 -0.18476 -0.09560 0.02902 93 2PX 0.08730 0.03760 0.04259 -0.01716 0.03040 94 2PY 0.00685 -0.13637 0.08212 0.11439 -0.15634 95 2PZ 0.01315 0.01293 0.01343 0.00897 -0.01152 96 3S -1.85463 -4.42694 0.45726 1.30122 1.49419 97 3PX 0.27833 2.03290 -0.17884 0.29402 -0.47277 98 3PY 1.16110 2.38407 -0.10149 -0.39456 -0.61926 99 3PZ 0.14493 0.39697 -0.00331 -0.01556 -0.06558 100 4XX -0.07172 -0.02072 0.03788 0.10486 -0.00831 101 4YY 0.00626 0.03342 0.06925 0.12358 -0.04580 102 4ZZ 0.08192 -0.07573 -0.10718 -0.16704 0.09823 103 4XY -0.12459 -0.03294 0.10807 0.38875 -0.02906 104 4XZ -0.04414 0.01770 0.03043 0.08689 -0.03458 105 4YZ -0.03989 0.12719 -0.08717 0.14101 -0.12599 106 8 H 1S 0.05148 -0.26050 -0.09641 -0.45338 0.12069 107 2S -0.23033 -0.72867 0.01939 0.07551 0.13925 108 9 H 1S 0.36662 0.45330 -0.12360 -0.47370 0.07937 109 2S 0.10693 0.73987 -0.04546 -0.03368 -0.16469 110 10 H 1S 0.45872 0.11271 0.00113 0.04099 0.12536 111 2S -0.02718 -0.70897 0.06250 0.03503 0.13004 112 11 H 1S 0.38283 0.41539 0.06837 0.47544 -0.08018 113 2S 0.05788 0.76336 -0.05784 -0.04018 -0.10675 114 12 H 1S 0.03979 -0.28238 0.11696 0.44599 -0.12730 115 2S -0.36276 -0.61699 -0.05363 0.12344 0.23743 116 13 C 1S 0.01527 -0.01885 -0.02204 0.00344 0.00560 117 2S 0.20835 -0.17154 -0.78962 0.26136 0.14647 118 2PX 0.09805 -0.13680 0.02714 0.04417 0.30143 119 2PY 0.01483 -0.01982 0.12595 -0.00396 0.05233 120 2PZ -0.00471 -0.00943 -0.19487 0.04163 -0.01257 121 3S -1.29549 0.93123 1.72733 -0.45876 -0.56386 122 3PX -0.25446 0.48336 0.27572 0.00947 -0.18993 123 3PY 0.35106 -0.26272 -0.45809 0.11118 0.19235 124 3PZ -0.89742 0.73364 0.43025 -0.04101 -0.33358 125 4XX -0.05901 0.06831 0.22896 -0.13645 -0.18723 126 4YY -0.09996 0.01132 -0.22986 0.05377 -0.02010 127 4ZZ 0.15248 -0.08364 -0.05397 0.08431 0.21081 128 4XY -0.09160 0.01636 0.04664 0.02422 -0.03662 129 4XZ 0.09291 0.02427 -0.03839 -0.09555 -0.43041 130 4YZ -0.05471 -0.02986 -0.59220 0.13115 -0.01488 131 14 C 1S -0.01788 0.01404 0.02411 -0.00683 -0.01104 132 2S -0.12190 0.07275 0.09420 0.04631 0.15980 133 2PX -0.04426 0.06814 0.10392 -0.05866 -0.13336 134 2PY 0.01392 0.01159 0.03209 -0.01077 0.00070 135 2PZ -0.02719 0.00470 0.00535 -0.00367 0.00887 136 3S 0.87638 -0.81718 -0.96804 0.10348 0.14709 137 3PX -0.36927 0.29106 0.20505 0.05478 0.07807 138 3PY -0.07871 0.05384 0.28853 -0.08780 -0.02313 139 3PZ 0.23467 -0.15006 0.07041 0.03113 0.33262 140 4XX 0.04616 -0.01409 0.23993 -0.17115 -0.31217 141 4YY -0.07269 0.03797 -0.29933 0.12881 -0.02897 142 4ZZ 0.02078 -0.03020 0.03947 0.05586 0.36296 143 4XY 0.13478 -0.09198 0.03380 -0.00071 0.02814 144 4XZ -0.19231 0.18430 -0.10677 -0.03039 -0.33011 145 4YZ 0.07788 -0.15788 -0.13947 0.09635 0.23578 146 15 H 1S -0.07052 0.01953 -0.00412 0.00234 0.00070 147 2S 0.03021 0.00653 0.03731 0.01380 0.07488 148 16 H 1S -0.10319 0.10420 0.07895 -0.07340 -0.32396 149 2S -0.09627 0.08106 -0.00272 0.00430 -0.04928 150 17 H 1S 0.00195 0.02969 0.28558 -0.09887 -0.01968 151 2S 0.00023 0.00923 0.06887 -0.01643 0.01923 152 18 H 1S -0.24757 0.15186 -0.13268 0.05887 -0.00631 153 2S -0.21653 0.23356 -0.00623 0.03913 -0.10398 154 19 H 1S -0.30397 0.24002 0.22398 0.04551 0.28816 155 2S -0.20139 0.15866 0.02949 0.02973 -0.02537 156 20 H 1S -0.30376 0.28140 0.27145 -0.00956 -0.02985 157 2S -0.18875 0.16041 0.00805 0.07181 0.06210 121 122 123 124 125 V V V V V Eigenvalues -- 2.04339 2.07548 2.08089 2.13321 2.14136 1 1 C 1S 0.01694 0.02472 -0.02334 0.00481 0.00095 2 2S 0.04026 -0.01664 -0.37501 0.09968 -0.00575 3 2PX 0.08079 0.09297 -0.03936 0.06679 0.01901 4 2PY 0.02354 0.01048 -0.02263 0.05208 -0.00235 5 2PZ 0.02784 0.02890 0.06086 -0.00488 0.00309 6 3S -0.61781 -0.39988 1.20940 -0.26924 0.28769 7 3PX 0.40206 0.23179 0.12825 -0.26176 -0.10804 8 3PY -0.21868 -0.20263 0.76104 -0.42416 -0.12441 9 3PZ 0.03055 -0.11602 -0.13055 -0.09596 -0.20721 10 4XX 0.02118 0.14321 -0.04782 -0.05586 -0.06317 11 4YY -0.18177 -0.18963 -0.14463 0.01013 0.21818 12 4ZZ 0.15265 0.06783 0.22302 0.04575 -0.16043 13 4XY 0.12664 -0.00668 0.04973 -0.25944 -0.00546 14 4XZ -0.18728 -0.14048 0.14085 -0.03321 -0.05256 15 4YZ 0.08299 -0.00254 -0.25849 0.10031 -0.07191 16 2 C 1S -0.01318 0.00061 0.01947 0.00041 -0.04192 17 2S 0.15709 -0.50405 0.14271 -0.05901 -0.60419 18 2PX -0.16470 0.10661 -0.02770 -0.02227 0.21048 19 2PY -0.05506 -0.09025 -0.09370 0.01921 -0.03494 20 2PZ -0.04939 0.00087 0.03716 0.01114 0.03699 21 3S 0.52150 0.71139 -1.32742 0.14256 1.44195 22 3PX 0.97095 0.42977 0.03724 0.05991 -0.85287 23 3PY 0.51312 0.35549 -0.28869 0.22568 0.32857 24 3PZ -0.00602 -0.06672 0.25682 -0.07034 -0.14110 25 4XX 0.05256 0.08965 -0.06528 -0.06998 -0.01133 26 4YY -0.01547 -0.08432 0.07601 0.02789 0.41956 27 4ZZ 0.03818 -0.07160 -0.00655 0.05036 -0.48389 28 4XY -0.25146 -0.14993 -0.20820 -0.27928 0.01887 29 4XZ 0.07647 0.13656 -0.25321 0.00480 0.12005 30 4YZ -0.05492 -0.05034 -0.03816 0.09605 -0.03656 31 3 C 1S -0.00310 0.00075 0.00089 -0.01020 -0.01937 32 2S 0.05314 0.30533 0.20662 0.07139 -0.17392 33 2PX 0.12202 -0.10550 -0.05823 0.10529 -0.15302 34 2PY 0.06623 0.16930 0.16393 0.12089 -0.11254 35 2PZ 0.02640 -0.00632 -0.01479 0.03681 -0.04756 36 3S 0.27729 -0.12524 0.08254 -0.07564 -0.01860 37 3PX 0.04482 0.38096 0.08670 -0.31021 -0.38945 38 3PY -0.19376 -0.03843 0.01402 -0.00775 -0.03693 39 3PZ 0.11219 0.16615 -0.13628 0.08958 -0.11344 40 4XX 0.05537 -0.14684 0.09810 0.29937 0.19855 41 4YY -0.02721 0.04489 -0.12831 -0.25070 0.00818 42 4ZZ -0.00722 0.16071 0.10803 -0.03984 -0.26290 43 4XY -0.37445 0.26644 -0.00299 -0.06588 0.08628 44 4XZ 0.04404 0.01434 -0.08549 0.02304 0.17500 45 4YZ 0.10911 0.18021 -0.31506 0.17243 -0.05096 46 4 C 1S -0.00183 -0.00379 0.00486 -0.01529 0.01003 47 2S -0.27742 0.09835 -0.13856 -0.46656 0.07336 48 2PX -0.05882 0.10740 -0.03832 -0.18715 -0.17191 49 2PY -0.15766 0.00707 -0.13756 -0.14034 0.17411 50 2PZ -0.01255 0.02770 -0.02744 -0.04325 -0.00659 51 3S 0.55850 0.02201 -0.33306 0.47774 0.09877 52 3PX 0.29452 -0.08428 -0.14854 0.21495 -0.19461 53 3PY 0.29866 0.02034 -0.20162 0.53652 0.32705 54 3PZ 0.06010 -0.01607 -0.04091 -0.00715 0.05932 55 4XX 0.12441 -0.32490 -0.16557 0.01922 -0.12848 56 4YY -0.12207 0.32695 0.19331 0.21567 -0.04252 57 4ZZ -0.06924 0.01957 -0.08189 -0.34299 0.19733 58 4XY 0.05767 -0.09917 0.07514 -0.06556 0.06836 59 4XZ -0.00492 -0.11377 0.07301 -0.09089 0.05214 60 4YZ 0.06781 0.08183 -0.07278 -0.00572 0.08286 61 5 C 1S -0.00077 -0.00339 -0.00609 -0.00272 0.03661 62 2S 0.32604 -0.44963 -0.16595 -0.05971 0.52109 63 2PX 0.20839 -0.28228 -0.03954 -0.00055 0.17117 64 2PY -0.02707 0.05317 0.05050 0.17882 0.03371 65 2PZ 0.02517 -0.05300 0.01151 0.00922 0.02743 66 3S -0.84538 0.34998 0.92903 -0.09035 -1.19149 67 3PX -0.42293 0.22611 0.52172 -0.04932 -0.80692 68 3PY -0.09254 -0.14221 -0.28772 -0.01769 0.18143 69 3PZ -0.11702 -0.01843 0.15356 -0.02599 -0.14444 70 4XX -0.26313 0.17948 -0.12529 -0.07528 -0.02803 71 4YY 0.21027 -0.02740 0.11603 0.14445 -0.34732 72 4ZZ 0.07010 -0.25862 0.01267 -0.09303 0.45805 73 4XY -0.06123 -0.11266 -0.26819 -0.26046 -0.17741 74 4XZ -0.17622 -0.03209 0.15968 -0.06543 -0.14197 75 4YZ 0.02275 0.02561 -0.06647 -0.07306 -0.03145 76 6 C 1S -0.00830 -0.00902 0.00539 0.00853 0.02017 77 2S -0.11790 0.09336 0.33932 0.38788 0.37796 78 2PX -0.03249 0.06880 0.02203 0.15642 -0.11625 79 2PY 0.01732 -0.08713 -0.16572 -0.18617 -0.21770 80 2PZ 0.00260 0.01067 -0.02616 0.01539 -0.04026 81 3S 0.28134 0.06027 -1.24180 -0.00158 -0.06364 82 3PX 0.02944 -0.14152 -0.22524 0.12751 -0.23216 83 3PY -0.39949 -0.11435 0.79704 0.28690 0.08872 84 3PZ -0.02819 -0.02795 0.00411 0.13775 -0.08756 85 4XX 0.24263 -0.06908 0.10548 -0.08376 -0.19158 86 4YY -0.19879 0.12101 -0.16553 -0.07604 -0.05163 87 4ZZ -0.06548 -0.01872 0.09122 0.26619 0.34684 88 4XY -0.23458 0.33789 -0.02764 -0.05142 -0.10666 89 4XZ -0.01842 -0.05041 0.07429 0.02418 -0.21967 90 4YZ -0.09673 0.01957 0.10400 -0.18035 0.02187 91 7 C 1S -0.00295 -0.00110 -0.00519 0.01488 -0.00737 92 2S -0.33754 0.11305 -0.30710 0.03129 -0.14380 93 2PX 0.21187 -0.12522 0.12013 -0.06642 -0.17273 94 2PY 0.09380 -0.02239 0.08704 0.11135 0.26194 95 2PZ 0.04377 -0.01495 0.04070 -0.01117 0.00624 96 3S 0.04957 -0.35928 1.34717 -0.37157 -0.26085 97 3PX -0.46179 0.14757 -0.50534 0.56938 -0.03646 98 3PY 0.23668 -0.01667 -0.73982 0.02182 0.23467 99 3PZ 0.04205 0.10674 -0.29162 0.01580 0.09012 100 4XX 0.21776 -0.27685 -0.14558 -0.30119 -0.01444 101 4YY -0.01203 0.34550 0.15158 0.17395 0.21026 102 4ZZ -0.26801 -0.04151 -0.02076 0.13031 -0.23899 103 4XY 0.24909 -0.08273 -0.04658 0.18181 0.02161 104 4XZ 0.09605 -0.07758 -0.03908 0.05015 -0.06822 105 4YZ -0.09289 -0.12988 0.22585 0.12101 -0.07868 106 8 H 1S -0.22714 0.04647 0.03539 -0.19639 -0.09631 107 2S 0.05092 -0.01498 0.22421 -0.05068 0.00568 108 9 H 1S 0.08005 0.07705 0.05843 0.03568 0.01010 109 2S 0.09973 0.02518 -0.19984 -0.08150 -0.06367 110 10 H 1S 0.20975 -0.16696 0.01275 -0.01909 -0.04302 111 2S -0.12546 0.07614 0.13929 -0.00557 -0.23454 112 11 H 1S -0.02419 0.03786 -0.11449 -0.00678 0.00810 113 2S 0.08943 -0.01550 -0.05525 0.15089 0.02168 114 12 H 1S -0.18913 0.07447 0.09560 0.16750 0.03690 115 2S -0.03135 -0.01679 -0.02904 0.00777 0.03868 116 13 C 1S 0.01135 0.00666 0.00770 0.00024 0.00533 117 2S -0.11857 -0.07711 0.28388 0.10868 0.00137 118 2PX -0.04859 -0.08591 0.25536 -0.09774 -0.03410 119 2PY 0.01199 0.00575 0.04111 -0.00573 -0.01771 120 2PZ -0.01877 -0.01380 0.03523 0.04956 -0.01517 121 3S 0.13999 0.15256 -0.93995 0.07824 -0.06902 122 3PX 0.17966 0.32794 -0.00580 0.27552 0.19763 123 3PY 0.22926 0.22525 0.06790 -0.14205 0.08365 124 3PZ 0.00377 0.05958 -0.40991 0.30433 0.09469 125 4XX 0.08902 0.06821 -0.21971 0.11193 0.02479 126 4YY -0.08318 -0.13615 0.35200 -0.09846 0.06222 127 4ZZ -0.01480 0.05248 -0.12022 0.00325 -0.08810 128 4XY 0.23895 0.21975 0.18382 -0.33594 0.02920 129 4XZ -0.07216 -0.08000 0.03777 -0.17716 -0.02118 130 4YZ 0.23705 0.21027 -0.09609 0.07563 0.01292 131 14 C 1S 0.00697 0.00691 -0.00800 0.00120 0.00138 132 2S 0.01113 0.03452 0.07474 -0.04819 -0.01875 133 2PX 0.02337 0.02473 -0.07085 0.03315 0.01628 134 2PY -0.02924 -0.02599 -0.03435 0.04381 -0.01514 135 2PZ 0.03642 0.02915 -0.02723 0.01993 -0.00236 136 3S -0.23536 -0.37218 0.24427 -0.15557 -0.10444 137 3PX 0.02214 0.06042 0.10929 -0.00289 0.02921 138 3PY -0.30500 -0.29762 -0.10820 0.28692 -0.10055 139 3PZ 0.06919 0.10264 0.03626 0.12137 -0.01996 140 4XX 0.09887 0.07870 -0.30957 -0.00221 0.07022 141 4YY 0.03980 0.03115 0.36109 -0.32999 0.05864 142 4ZZ -0.15208 -0.12570 -0.03526 0.34718 -0.12642 143 4XY 0.04780 0.02140 -0.02403 -0.01557 -0.08084 144 4XZ 0.10430 0.11055 -0.20297 -0.01566 -0.03343 145 4YZ 0.37691 0.35475 0.10356 -0.18470 0.05941 146 15 H 1S 0.28153 0.28416 -0.07922 -0.07946 0.06475 147 2S 0.04056 0.05367 0.01357 -0.00994 0.00309 148 16 H 1S 0.00077 -0.01549 0.01658 -0.20604 0.07152 149 2S 0.01638 0.02855 -0.04747 0.00256 0.01035 150 17 H 1S -0.10858 -0.10655 -0.25071 0.26389 -0.09526 151 2S -0.05751 -0.04071 0.01231 0.03357 -0.01404 152 18 H 1S 0.10474 0.08659 0.05842 0.13870 0.10757 153 2S -0.07837 -0.03549 -0.04662 0.14486 0.01169 154 19 H 1S -0.03281 0.09794 -0.26679 0.06838 0.16147 155 2S 0.02240 0.01539 -0.08212 0.09386 0.01820 156 20 H 1S 0.16447 0.15227 0.19423 -0.12158 -0.16127 157 2S -0.11757 -0.15275 0.10579 -0.06856 0.02473 126 127 128 129 130 V V V V V Eigenvalues -- 2.15395 2.19365 2.21379 2.23474 2.27274 1 1 C 1S -0.00663 -0.00394 0.02240 0.00798 -0.00551 2 2S 0.03720 -0.10079 0.03924 0.20568 -0.11238 3 2PX 0.04061 -0.05081 -0.05257 -0.08940 -0.07551 4 2PY 0.03971 -0.05181 -0.05153 0.01382 -0.02072 5 2PZ -0.03713 -0.00128 0.05441 0.00027 0.04226 6 3S 0.05099 0.14501 -0.51522 -0.71664 0.58719 7 3PX -0.08504 -0.11853 0.02885 -0.07478 -0.30996 8 3PY -0.22771 -0.34066 -0.31190 0.01335 0.28502 9 3PZ -0.01622 -0.22893 0.36636 0.29474 0.22638 10 4XX 0.00857 0.08101 0.03163 0.10932 0.09278 11 4YY 0.00095 0.08158 -0.03488 -0.47836 -0.35779 12 4ZZ -0.00947 -0.15374 0.01829 0.31381 0.28239 13 4XY -0.07188 0.17677 0.16815 -0.21870 0.19611 14 4XZ 0.00981 0.00747 -0.08737 -0.05417 0.34453 15 4YZ 0.09407 -0.09856 0.27385 0.07009 0.06025 16 2 C 1S 0.01165 0.00915 -0.00484 0.00042 0.00483 17 2S 0.14357 0.14540 0.06196 -0.04086 0.04162 18 2PX -0.07636 -0.02379 0.07941 -0.02156 0.01803 19 2PY 0.02314 0.11399 0.09411 -0.03212 0.06992 20 2PZ -0.01275 -0.01152 0.01395 -0.02005 0.02754 21 3S -0.23357 -0.30168 0.02291 -0.31401 -0.43349 22 3PX 0.17991 0.25679 0.39037 0.07984 -0.39154 23 3PY 0.21995 1.40331 0.91760 -0.24368 0.95166 24 3PZ -0.01660 0.22238 0.09048 -0.04406 0.12039 25 4XX -0.02190 -0.04606 0.14144 -0.01100 -0.04019 26 4YY -0.06060 -0.05855 -0.06528 0.08621 0.02552 27 4ZZ 0.11900 0.12689 -0.10813 -0.13655 -0.01792 28 4XY -0.02073 0.04317 0.04024 0.07813 0.03635 29 4XZ -0.04778 0.07509 -0.28838 -0.02082 -0.00260 30 4YZ -0.32207 -0.05158 0.11383 0.08485 0.12815 31 3 C 1S 0.00139 -0.02127 -0.01927 -0.00248 -0.01219 32 2S 0.04866 -0.34951 -0.27245 -0.13484 -0.23933 33 2PX 0.11500 0.20984 0.10297 -0.12388 0.04084 34 2PY 0.06132 -0.06815 -0.06173 -0.05774 -0.06545 35 2PZ -0.01082 0.03782 0.00193 -0.01904 0.01994 36 3S 0.02292 1.12253 0.90719 0.18764 0.53141 37 3PX 0.08222 0.55970 0.50515 0.01580 0.74519 38 3PY 0.04049 0.61091 0.47583 0.21444 0.26168 39 3PZ -0.20791 0.14366 0.12628 0.02129 -0.03417 40 4XX -0.04471 0.18078 0.04759 0.12305 0.01531 41 4YY -0.04016 -0.02671 0.13564 -0.10017 0.04125 42 4ZZ 0.09188 -0.22193 -0.22851 -0.02173 -0.09283 43 4XY 0.00224 0.05603 0.10159 0.01277 0.11662 44 4XZ 0.29372 0.01682 0.02873 0.03930 0.19868 45 4YZ -0.35814 0.06588 -0.03015 0.00954 -0.08781 46 4 C 1S -0.01024 -0.02933 -0.01704 0.00528 -0.01200 47 2S -0.19542 -0.31030 -0.09099 0.04270 -0.01256 48 2PX -0.02720 -0.09959 -0.02567 -0.08891 -0.03142 49 2PY -0.09637 -0.03076 0.03412 0.07990 0.07640 50 2PZ 0.02825 -0.02809 -0.00941 -0.00910 0.02987 51 3S 0.21992 0.59389 0.39062 -0.17037 0.47884 52 3PX 0.11949 0.34447 0.21032 -0.06015 0.19065 53 3PY 0.09910 0.08106 0.02682 -0.23517 -0.17295 54 3PZ 0.29492 0.06460 -0.13365 -0.06642 0.30841 55 4XX -0.06561 0.23652 0.10245 0.00105 0.06805 56 4YY 0.03353 0.09130 0.09131 -0.02599 -0.04626 57 4ZZ -0.01397 -0.40508 -0.21646 0.02513 -0.02756 58 4XY -0.14744 -0.19778 -0.07903 0.09598 -0.16717 59 4XZ 0.42520 0.05706 0.04962 -0.00358 0.17581 60 4YZ 0.28027 0.03590 -0.32957 -0.06481 0.36973 61 5 C 1S -0.01128 -0.00713 -0.00058 0.00905 0.00463 62 2S -0.15072 -0.08302 -0.00598 0.08764 0.04431 63 2PX -0.03790 0.02942 0.01392 0.02362 0.04440 64 2PY 0.06363 0.22190 0.12224 -0.03258 0.10349 65 2PZ -0.00647 0.01083 0.05571 0.01261 -0.01785 66 3S 0.21940 0.25328 -0.02322 0.13724 0.02598 67 3PX 0.17001 0.19561 -0.05272 -0.06473 0.00565 68 3PY -0.03205 0.03419 0.03339 -0.02469 0.04013 69 3PZ -0.00482 -0.02753 0.30909 0.07144 -0.30527 70 4XX -0.01750 0.03753 -0.13464 0.02842 0.17965 71 4YY 0.10606 0.07648 -0.01072 -0.14979 -0.12636 72 4ZZ -0.11789 -0.11984 0.13347 0.16628 -0.02846 73 4XY -0.07999 0.04942 0.04995 -0.08292 0.04983 74 4XZ 0.02399 -0.10014 0.48865 0.10587 -0.37420 75 4YZ 0.31836 -0.04473 -0.02933 -0.02466 0.20431 76 6 C 1S -0.00103 0.02647 0.01483 0.00370 0.01617 77 2S 0.01764 0.24557 0.08085 0.06848 0.06787 78 2PX 0.10485 0.15042 0.06427 -0.12342 -0.02718 79 2PY 0.01154 -0.01384 0.02304 -0.06001 0.01036 80 2PZ -0.01568 0.04551 -0.00921 -0.03060 -0.00780 81 3S 0.10586 -0.69602 -0.29465 -0.35006 -0.40771 82 3PX 0.17353 -0.19802 -0.10994 -0.05352 -0.22662 83 3PY 0.02399 0.29041 0.06947 0.24236 0.11550 84 3PZ -0.20734 0.05023 -0.26391 -0.07799 0.22191 85 4XX 0.10039 -0.23229 -0.21743 0.00951 -0.15635 86 4YY -0.05728 0.01403 -0.00939 -0.04664 0.05698 87 4ZZ -0.02943 0.27972 0.24981 0.03439 0.10819 88 4XY -0.04775 -0.04730 -0.10072 -0.04091 -0.01656 89 4XZ -0.28115 -0.13652 0.02284 0.01835 -0.01223 90 4YZ 0.34940 -0.17472 0.37971 0.10669 -0.32538 91 7 C 1S 0.01132 0.03094 0.01437 -0.01125 0.01277 92 2S 0.11784 0.44432 0.27005 -0.16437 0.15321 93 2PX -0.00240 -0.14658 -0.11709 0.00512 -0.09164 94 2PY -0.04062 -0.04464 -0.01855 0.02417 0.01959 95 2PZ 0.03292 -0.03069 -0.05727 -0.01736 -0.01898 96 3S -0.39324 -1.22470 -0.76336 0.70939 -0.64619 97 3PX 0.19227 -0.25612 -0.21195 -0.24227 -0.32320 98 3PY 0.10209 0.81523 0.53313 -0.32598 0.50142 99 3PZ 0.31650 0.00293 0.09008 -0.00154 -0.21607 100 4XX 0.03743 -0.13866 0.01445 0.05925 0.02740 101 4YY 0.01172 -0.15460 -0.12031 0.02967 -0.18058 102 4ZZ -0.03331 0.37011 0.15026 -0.09785 0.18698 103 4XY 0.16179 0.16208 0.07954 -0.14440 -0.09346 104 4XZ -0.41645 -0.00863 -0.12089 -0.01589 0.07835 105 4YZ -0.26977 -0.04817 0.10150 0.00609 0.12496 106 8 H 1S -0.04195 0.04466 0.01285 0.10823 0.12122 107 2S -0.05317 -0.11441 -0.05663 -0.00363 -0.05224 108 9 H 1S 0.00675 -0.00680 -0.01651 -0.00659 -0.02751 109 2S 0.00694 -0.08997 -0.02571 -0.05757 -0.05186 110 10 H 1S 0.00555 0.01383 0.01009 -0.06185 -0.02970 111 2S 0.05483 0.05059 -0.00898 -0.01085 -0.00719 112 11 H 1S 0.00178 -0.00310 0.02284 -0.06435 -0.00741 113 2S 0.05870 0.08814 0.03402 -0.05979 -0.00652 114 12 H 1S 0.05018 0.00614 -0.08589 0.07057 -0.03572 115 2S -0.01104 0.08007 0.09120 0.02268 -0.01542 116 13 C 1S 0.00155 -0.00684 -0.00506 -0.02753 -0.00995 117 2S 0.10430 -0.12242 -0.17630 -0.20503 -0.05026 118 2PX -0.05703 0.07159 -0.12617 0.02590 0.03534 119 2PY -0.01479 -0.00182 -0.01349 0.05483 0.00292 120 2PZ 0.01080 -0.10670 0.01470 -0.00904 0.07707 121 3S -0.13517 0.28479 0.50344 0.97047 0.23787 122 3PX 0.07189 -0.04704 -0.27398 -0.22424 -0.04411 123 3PY 0.03015 0.16024 -0.08871 -0.05787 -0.14216 124 3PZ 0.07172 0.18709 -0.00771 0.16553 -0.18850 125 4XX 0.00400 -0.10694 0.03999 -0.11689 0.00995 126 4YY -0.06280 -0.19964 -0.04280 -0.40100 0.15158 127 4ZZ 0.05083 0.30497 -0.01834 0.52454 -0.13835 128 4XY -0.13242 0.24519 0.12979 0.22175 0.10773 129 4XZ 0.02435 0.18684 -0.12907 0.15436 0.04067 130 4YZ 0.09434 -0.05212 -0.11649 0.05360 -0.16325 131 14 C 1S -0.00144 0.00340 -0.00179 0.00741 0.00152 132 2S -0.02727 0.06050 -0.00303 0.13283 0.02881 133 2PX 0.00589 0.00779 -0.02081 -0.00506 -0.00005 134 2PY 0.01937 -0.02361 -0.02566 0.07291 0.00221 135 2PZ -0.00716 -0.05654 0.05174 -0.02143 0.05294 136 3S 0.03184 -0.17864 0.05577 -0.35406 -0.05492 137 3PX -0.02854 0.16673 -0.18567 0.17537 -0.01817 138 3PY 0.07033 -0.23766 -0.09218 0.09410 0.00981 139 3PZ -0.01975 -0.30727 0.18619 -0.11815 0.29176 140 4XX 0.01606 -0.01435 0.15818 -0.20997 -0.16712 141 4YY -0.06519 0.47316 -0.29040 -0.00062 -0.23837 142 4ZZ 0.05139 -0.46825 0.11644 0.19918 0.39861 143 4XY 0.04112 0.04361 -0.09544 0.58072 -0.02059 144 4XZ 0.02464 -0.03408 0.19003 0.15383 0.14413 145 4YZ -0.11755 -0.07453 0.36855 -0.24364 0.28200 146 15 H 1S -0.07238 -0.10007 0.35303 -0.29412 0.22222 147 2S -0.00983 0.01170 0.00063 0.08395 0.01639 148 16 H 1S -0.01225 0.38402 -0.23007 -0.02901 -0.36271 149 2S 0.00595 0.04344 0.03707 0.07974 0.01607 150 17 H 1S 0.08403 -0.25419 0.02399 0.34878 0.09113 151 2S -0.00101 -0.03527 0.00573 -0.08472 0.00953 152 18 H 1S -0.01475 -0.25229 -0.03488 -0.35348 -0.00511 153 2S 0.09890 0.09426 -0.08424 0.00755 -0.09270 154 19 H 1S -0.00149 0.13249 -0.05645 -0.13632 -0.35044 155 2S 0.02123 0.07789 -0.10779 0.02725 -0.04648 156 20 H 1S -0.08151 -0.08171 0.06483 0.29497 0.31223 157 2S -0.06001 -0.12064 -0.13241 0.00913 -0.05132 131 132 133 134 135 V V V V V Eigenvalues -- 2.31130 2.31735 2.34420 2.38068 2.44350 1 1 C 1S -0.02067 0.00830 0.05837 -0.03373 -0.00112 2 2S -0.10294 0.05105 0.43255 -0.19495 -0.02652 3 2PX 0.01878 0.00432 0.07394 0.06596 0.06729 4 2PY 0.03779 -0.00838 -0.04268 0.05033 -0.00040 5 2PZ -0.02377 0.01968 0.06180 -0.04828 -0.01208 6 3S 0.95765 -0.41717 -3.18039 1.38534 0.11063 7 3PX -0.27438 0.15348 1.53129 -0.12759 -0.14060 8 3PY 0.09502 -0.10038 -0.38099 0.34070 -0.11596 9 3PZ -0.11094 -0.03071 0.54480 -0.28256 -0.25383 10 4XX 0.10732 -0.06108 -0.52225 0.15010 0.04363 11 4YY -0.07515 0.05976 0.11489 -0.31029 0.53960 12 4ZZ -0.02773 -0.00156 0.39127 0.15439 -0.58579 13 4XY -0.02240 -0.01460 0.35082 0.28817 0.06007 14 4XZ 0.04591 -0.05671 -0.06596 0.27379 0.01358 15 4YZ 0.07039 0.00088 0.19476 -0.19735 -0.20355 16 2 C 1S 0.00434 -0.00215 -0.01627 0.00417 -0.01441 17 2S -0.04009 0.00217 0.09972 -0.11174 -0.18629 18 2PX -0.04928 0.03239 0.21420 -0.02329 -0.13926 19 2PY -0.01135 -0.00425 0.02261 0.04888 -0.07893 20 2PZ -0.00856 -0.08581 0.05799 -0.01209 -0.03311 21 3S 0.03663 0.01979 -0.46684 0.01567 1.22086 22 3PX -0.62503 0.33416 3.38594 -0.44692 -0.38617 23 3PY 0.32662 -0.15662 -0.20261 1.11301 0.12167 24 3PZ -0.10140 0.05272 0.53747 -0.25739 0.01117 25 4XX 0.00476 -0.00162 0.19346 -0.19375 0.05618 26 4YY 0.11698 -0.02498 -0.14601 0.06804 0.07049 27 4ZZ -0.09861 0.02419 -0.10562 0.15595 -0.02323 28 4XY 0.12572 -0.02084 -0.09424 -0.07702 0.03340 29 4XZ -0.13774 0.07645 -0.07204 0.54546 0.05177 30 4YZ -0.60141 0.03481 -0.09545 -0.12296 0.07725 31 3 C 1S 0.00535 -0.00170 -0.03917 -0.00544 0.02501 32 2S 0.02439 0.00617 -0.25506 -0.07987 0.16947 33 2PX 0.03238 0.00104 0.02387 0.07074 0.02175 34 2PY -0.00239 0.01270 0.05242 -0.00551 -0.02753 35 2PZ -0.08647 -0.04828 -0.00208 0.03165 0.01194 36 3S -0.33448 0.15448 2.60273 0.18682 -0.95013 37 3PX 0.14243 -0.09179 0.02290 0.63477 -0.23138 38 3PY -0.21061 0.10309 1.44474 -0.03034 -0.54041 39 3PZ -0.05703 -0.12376 0.06642 0.37303 -0.07860 40 4XX 0.08466 -0.19401 -0.13008 -0.01527 -0.08789 41 4YY -0.06137 0.03634 0.51587 -0.02271 -0.15496 42 4ZZ -0.03483 0.16499 -0.34420 0.01806 0.21775 43 4XY 0.06261 -0.06014 0.02956 0.02949 -0.09312 44 4XZ -0.18274 0.58653 -0.02196 0.06205 -0.06359 45 4YZ -0.24023 -0.00502 -0.01242 0.40425 -0.03089 46 4 C 1S -0.00219 0.00145 -0.00479 -0.01100 -0.00298 47 2S -0.02503 0.00672 0.07874 0.00873 -0.06957 48 2PX 0.00595 -0.00703 0.02942 0.01515 0.05896 49 2PY 0.01056 -0.01479 0.01138 0.06053 -0.09934 50 2PZ -0.07467 0.05962 -0.01078 0.00377 0.01410 51 3S 0.27383 -0.15919 -0.92118 0.59111 0.16121 52 3PX 0.14516 -0.10182 -0.49838 0.30171 0.15434 53 3PY 0.04299 -0.01148 -0.23234 -0.01508 0.17156 54 3PZ -0.03396 0.11074 -0.06758 -0.15637 0.04495 55 4XX -0.01233 -0.18290 -0.17200 0.10857 0.09032 56 4YY 0.02386 0.03917 0.18164 0.03828 -0.05947 57 4ZZ -0.01244 0.14242 -0.02648 -0.14312 -0.03441 58 4XY 0.03695 0.00476 -0.09389 -0.06534 0.02749 59 4XZ 0.20409 0.50905 -0.00676 -0.09044 -0.01437 60 4YZ -0.34969 -0.20668 0.01228 -0.21930 0.05673 61 5 C 1S 0.00077 -0.00073 -0.00280 0.00312 -0.01581 62 2S 0.02075 -0.01370 -0.10914 0.03072 -0.04396 63 2PX 0.01010 -0.02354 -0.04440 0.02138 0.01509 64 2PY 0.01251 -0.01779 0.06381 0.09541 0.00111 65 2PZ 0.01225 0.08458 -0.01466 0.04300 0.00524 66 3S -0.10138 0.04001 0.47536 -0.15390 0.16325 67 3PX -0.08943 0.04544 0.43579 -0.15187 0.11427 68 3PY 0.02189 -0.01291 -0.09345 0.01343 0.02074 69 3PZ -0.02177 0.00237 0.01839 0.16892 0.01474 70 4XX 0.06909 -0.04392 -0.11695 -0.00198 0.00814 71 4YY 0.06317 0.01392 0.06110 -0.07686 0.11676 72 4ZZ -0.12032 0.02115 -0.01750 0.09004 -0.13657 73 4XY 0.10203 -0.01158 0.13993 0.04653 -0.01241 74 4XZ -0.11340 0.06658 -0.10201 0.25526 0.04969 75 4YZ -0.62623 0.03161 -0.06394 -0.03023 0.12217 76 6 C 1S 0.00293 -0.00191 0.00381 0.01184 0.01031 77 2S 0.00275 0.00046 0.03753 -0.00185 0.00276 78 2PX -0.02042 -0.00077 0.01873 -0.02892 0.06451 79 2PY -0.01046 -0.00458 0.04466 0.03074 0.03934 80 2PZ 0.08284 0.05058 0.01475 -0.01941 0.00727 81 3S 0.15418 -0.05092 -1.17793 -0.14818 -0.10412 82 3PX 0.04263 -0.04321 -0.54166 -0.10293 0.05305 83 3PY -0.06800 0.00797 0.35589 -0.04445 -0.03313 84 3PZ 0.11039 0.11602 -0.01322 -0.18566 0.01595 85 4XX 0.04246 -0.17034 -0.15239 -0.12257 -0.05246 86 4YY 0.01770 0.00648 0.13618 -0.01261 -0.06675 87 4ZZ -0.05032 0.16152 -0.01047 0.13671 0.14092 88 4XY 0.02983 -0.02069 0.15234 -0.11277 -0.01072 89 4XZ -0.17714 0.59654 -0.10278 -0.02623 0.05104 90 4YZ -0.26736 -0.01014 -0.06336 0.23165 0.00959 91 7 C 1S 0.00633 -0.00386 -0.02286 0.01370 0.00607 92 2S 0.04363 -0.03017 -0.10116 0.10485 0.08486 93 2PX -0.03346 0.01895 -0.07838 -0.09462 -0.04411 94 2PY 0.01617 -0.00530 -0.03197 0.05432 0.03696 95 2PZ 0.07457 -0.06126 0.00187 0.02918 -0.01570 96 3S -0.51786 0.25663 1.80405 -0.93486 -0.59734 97 3PX 0.11495 -0.00963 -0.97913 -0.30062 0.09272 98 3PY 0.23646 -0.11832 -0.71883 0.60016 0.32446 99 3PZ 0.06576 -0.14174 -0.23620 0.16573 -0.00292 100 4XX -0.05312 -0.16966 0.02119 0.11676 -0.00954 101 4YY -0.00720 0.07046 0.19145 -0.11697 -0.02540 102 4ZZ 0.05791 0.10087 -0.15005 0.02079 0.02331 103 4XY -0.00202 0.02570 0.24137 -0.00986 0.06836 104 4XZ 0.20048 0.53346 0.05986 -0.10067 0.03728 105 4YZ -0.34515 -0.19617 0.08759 -0.37983 0.03302 106 8 H 1S 0.02945 -0.02950 -0.16043 0.09115 -0.05579 107 2S -0.06343 0.03295 0.39802 -0.06020 -0.01372 108 9 H 1S 0.00467 0.00337 -0.02453 -0.01347 0.06074 109 2S 0.00831 -0.00035 -0.07157 -0.00224 0.00925 110 10 H 1S -0.02869 0.01673 0.13936 -0.03508 -0.01473 111 2S -0.01154 0.00505 0.04316 -0.01927 0.03997 112 11 H 1S -0.00233 -0.00013 0.01830 0.02342 -0.00159 113 2S 0.01973 -0.00732 -0.08584 0.01315 0.07336 114 12 H 1S 0.04510 -0.01613 -0.27151 -0.03751 0.08755 115 2S -0.08652 0.04281 0.45863 -0.06778 -0.14458 116 13 C 1S 0.00616 -0.00087 0.00444 0.02195 0.01866 117 2S 0.13504 -0.02475 -0.02308 0.10634 0.04785 118 2PX -0.04818 0.00550 -0.01228 0.16407 -0.06951 119 2PY -0.00669 -0.00575 0.03880 0.03130 -0.00243 120 2PZ 0.02850 -0.00963 0.02587 0.01551 -0.01857 121 3S -0.43664 0.11460 0.41158 -0.66684 -0.44618 122 3PX 0.14801 -0.00215 -0.17622 0.42777 0.01557 123 3PY 0.10981 0.01553 -0.23579 0.11817 0.08090 124 3PZ -0.17715 0.07421 0.15772 -0.26176 0.05102 125 4XX -0.04575 0.01083 0.00757 0.12761 -0.18573 126 4YY 0.05149 -0.04308 0.19032 0.27818 0.37323 127 4ZZ -0.02407 0.03737 -0.18787 -0.33123 -0.17288 128 4XY -0.02602 0.00839 0.13330 -0.09292 0.43545 129 4XZ 0.10596 -0.03805 -0.18594 0.09257 0.19437 130 4YZ 0.06293 0.00169 0.09699 0.17331 0.10146 131 14 C 1S -0.00453 0.00195 0.00711 0.00396 -0.01018 132 2S -0.03695 0.01274 0.11042 -0.02401 -0.07344 133 2PX -0.00884 0.00260 -0.03269 0.04896 -0.02997 134 2PY 0.00919 -0.00223 0.00637 0.01871 0.03611 135 2PZ 0.01555 -0.00602 0.00033 0.01653 0.02177 136 3S 0.12116 -0.06630 -0.19800 -0.06800 0.26430 137 3PX -0.09663 0.05097 0.13951 0.10927 -0.18295 138 3PY -0.04651 -0.00189 0.39425 0.07298 -0.04553 139 3PZ 0.15847 -0.07279 -0.26940 0.10387 0.00435 140 4XX -0.02516 0.01292 0.04165 -0.18616 0.00954 141 4YY -0.16261 0.07228 -0.03763 0.02350 -0.32450 142 4ZZ 0.18520 -0.08219 -0.00309 0.16287 0.31626 143 4XY 0.03631 -0.00052 0.37264 0.07157 0.55082 144 4XZ 0.13011 -0.04318 -0.17767 -0.15438 0.18769 145 4YZ 0.12278 -0.04939 -0.35659 -0.09312 0.04299 146 15 H 1S 0.10625 -0.04406 -0.37504 -0.12637 -0.07474 147 2S 0.00574 -0.00297 -0.04509 0.00925 0.04831 148 16 H 1S -0.19115 0.08438 0.16262 -0.05602 -0.26856 149 2S 0.00764 -0.00156 -0.00156 -0.04935 0.13527 150 17 H 1S 0.06942 -0.02756 0.29549 0.05397 0.35333 151 2S -0.02211 -0.00125 0.00783 0.00398 -0.18248 152 18 H 1S -0.00232 0.00984 0.20416 0.21797 0.12973 153 2S 0.01569 -0.01409 -0.08451 -0.06019 0.02402 154 19 H 1S -0.06504 0.04339 -0.18580 -0.20627 0.39487 155 2S -0.01529 0.05449 0.04351 0.06483 -0.08351 156 20 H 1S -0.01811 -0.03194 0.14515 0.21062 -0.33928 157 2S -0.01872 -0.00420 -0.04462 -0.07963 0.16717 136 137 138 139 140 V V V V V Eigenvalues -- 2.49146 2.57477 2.59242 2.64975 2.68566 1 1 C 1S -0.04142 -0.04530 -0.03307 0.03196 0.04847 2 2S -0.46118 -0.05761 -0.05455 -0.06909 -0.09354 3 2PX 0.03992 -0.03340 0.00981 -0.10101 -0.10928 4 2PY -0.00407 0.06203 0.06438 -0.08793 -0.12404 5 2PZ -0.00069 -0.08512 -0.05094 0.11407 0.15582 6 3S 2.53598 1.13044 0.93891 -0.48118 -0.80937 7 3PX -0.23955 0.16100 -0.29398 -0.42139 -0.34634 8 3PY 0.44386 0.45122 -0.29679 -0.24538 -0.25871 9 3PZ -0.28348 -0.18516 -0.36785 0.23670 0.36822 10 4XX 0.45476 0.22904 0.19474 0.03491 -0.09377 11 4YY -0.34858 -0.16504 -0.01327 0.12647 0.10378 12 4ZZ -0.10722 -0.15121 -0.23563 -0.09691 0.11064 13 4XY 0.11311 0.02996 0.06502 -0.16022 -0.17840 14 4XZ -0.24203 -0.13522 -0.09035 0.33499 0.48690 15 4YZ -0.01524 -0.16181 -0.12448 0.15310 0.30867 16 2 C 1S -0.01231 0.07436 0.04680 0.01380 0.00664 17 2S -0.20050 0.11074 0.02282 -0.04919 -0.01957 18 2PX -0.07968 0.03659 -0.00267 -0.00555 0.01950 19 2PY 0.09419 -0.04974 -0.00163 -0.02032 -0.05617 20 2PZ -0.00989 -0.00635 0.00179 -0.00402 0.00576 21 3S 1.22759 -2.02464 -1.10639 0.25812 0.18951 22 3PX -1.99717 0.19491 0.21444 -0.40472 -0.22961 23 3PY 0.95027 -0.84564 1.59160 0.01783 -0.19432 24 3PZ -0.14348 0.06520 0.19303 -0.10157 -0.10659 25 4XX 0.15637 -0.12198 -0.19008 0.00418 0.13180 26 4YY 0.11454 -0.30509 -0.04746 -0.22137 -0.20552 27 4ZZ -0.23051 0.48685 0.31059 0.21870 0.03773 28 4XY -0.12545 0.12515 -0.22331 -0.03674 0.21671 29 4XZ -0.22013 -0.18406 -0.17618 0.17022 0.15402 30 4YZ 0.06656 -0.05024 -0.08936 0.35711 -0.35238 31 3 C 1S 0.01506 0.01811 -0.06969 0.00224 0.00158 32 2S 0.08442 0.14440 -0.26031 0.05974 0.00085 33 2PX 0.02896 0.26666 0.06711 0.08297 0.04072 34 2PY -0.02030 0.07188 0.10638 -0.00127 -0.05429 35 2PZ -0.01762 0.04500 0.01254 0.02293 0.01700 36 3S -1.30411 -1.37741 2.67711 -0.73623 -0.60087 37 3PX 0.61293 0.67765 0.06808 0.10828 0.01288 38 3PY -0.82248 -0.42189 1.04001 -0.31625 -0.15351 39 3PZ -0.02289 0.06582 0.09431 -0.01297 -0.00278 40 4XX 0.05027 -0.10594 0.22877 -0.05491 0.19635 41 4YY -0.15824 -0.02552 0.29744 -0.13628 -0.19441 42 4ZZ 0.07712 0.11059 -0.52734 0.14063 -0.08033 43 4XY 0.08788 0.38344 -0.14172 0.03302 0.10454 44 4XZ -0.00894 -0.05325 0.10192 0.41066 -0.25270 45 4YZ -0.14866 0.00844 0.01618 0.15926 -0.02770 46 4 C 1S 0.00131 -0.08314 0.02230 -0.01542 -0.00114 47 2S 0.02465 -0.26612 0.08380 -0.11403 -0.10318 48 2PX 0.03509 -0.02134 -0.19057 -0.04818 -0.04493 49 2PY 0.02181 0.23493 0.11116 0.05112 -0.01998 50 2PZ 0.01574 0.01926 -0.01892 -0.01043 -0.01749 51 3S 0.70028 3.43211 -0.55970 1.08809 0.41902 52 3PX 0.44753 0.92786 -0.43789 0.43042 0.40702 53 3PY -0.05653 1.35675 0.00817 0.45888 0.06849 54 3PZ 0.11388 0.26267 -0.07659 0.10868 0.06759 55 4XX 0.10853 0.22440 -0.28701 0.00590 0.23695 56 4YY -0.15732 0.42326 0.07691 0.03184 -0.20555 57 4ZZ 0.06596 -0.61847 0.16056 -0.03653 -0.04282 58 4XY -0.12023 0.02937 -0.24451 0.05267 0.08549 59 4XZ 0.03970 0.14239 -0.14583 0.35981 -0.18435 60 4YZ 0.01077 0.13936 -0.00943 -0.29773 0.18058 61 5 C 1S -0.01344 0.07967 0.05467 0.03248 0.01927 62 2S 0.01103 0.25182 0.17805 0.13989 0.09763 63 2PX 0.06746 -0.09488 -0.11983 -0.04994 -0.03837 64 2PY 0.06144 0.17219 -0.11908 -0.07494 -0.18933 65 2PZ 0.01116 -0.00299 -0.02870 -0.01238 -0.01914 66 3S 0.16715 -2.97069 -2.22322 -1.59553 -0.92436 67 3PX -0.07318 -1.39386 -1.23524 -0.91930 -0.66807 68 3PY 0.04339 0.73368 -0.37738 0.05857 -0.22644 69 3PZ -0.05407 -0.19255 -0.24093 -0.14285 -0.11706 70 4XX 0.25078 -0.14077 -0.28054 -0.02859 -0.05036 71 4YY -0.06554 -0.44334 -0.10305 -0.06864 -0.07345 72 4ZZ -0.15080 0.60056 0.38514 0.12145 0.16191 73 4XY 0.00328 0.19476 -0.33386 -0.04607 -0.31669 74 4XZ 0.02908 -0.13104 -0.15157 -0.13383 0.01479 75 4YZ 0.02355 0.00276 -0.04137 -0.48555 0.21065 76 6 C 1S 0.00996 -0.00203 -0.08204 -0.03380 -0.03642 77 2S -0.04852 -0.00856 -0.31897 -0.10391 -0.02763 78 2PX 0.00460 -0.27806 -0.03520 -0.03233 0.01412 79 2PY 0.04392 -0.08875 -0.16669 -0.09768 -0.13327 80 2PZ 0.00909 -0.05333 -0.01865 -0.01245 -0.00550 81 3S 0.33732 0.34220 3.57660 1.78407 1.65512 82 3PX 0.27514 -0.38162 0.41474 0.28653 0.26737 83 3PY -0.17268 -0.27512 -1.75441 -0.85624 -0.70263 84 3PZ 0.09099 -0.06740 -0.04344 -0.03507 -0.03015 85 4XX 0.00932 -0.09876 0.13109 0.30031 0.18651 86 4YY -0.09636 0.06220 0.50867 0.07078 -0.02463 87 4ZZ 0.08708 0.01035 -0.58132 -0.34819 -0.12844 88 4XY -0.18050 0.25223 -0.11606 0.08816 0.04686 89 4XZ 0.00221 0.06146 0.20056 -0.33700 0.35259 90 4YZ -0.10781 0.05373 0.08411 -0.08293 0.13080 91 7 C 1S 0.03450 -0.06193 0.04934 0.00742 0.00968 92 2S 0.19447 -0.19737 0.31535 0.12124 0.13268 93 2PX -0.02958 0.05939 0.13503 0.13223 0.18220 94 2PY 0.10675 -0.15792 -0.07943 -0.11672 -0.17595 95 2PZ -0.00949 -0.00651 0.01543 0.02044 0.02517 96 3S -2.08951 2.11043 -2.88606 -0.99943 -0.81493 97 3PX 0.29203 -0.35519 0.86784 0.58536 0.59948 98 3PY 1.05532 -0.91795 0.81522 0.22690 0.06037 99 3PZ 0.03049 -0.17114 0.17219 0.15983 0.16268 100 4XX 0.06098 0.17703 -0.39914 -0.05950 -0.31864 101 4YY -0.37451 0.26995 0.04531 0.06702 0.22985 102 4ZZ 0.27633 -0.45151 0.33130 -0.04261 0.07771 103 4XY -0.22962 -0.06772 -0.27508 -0.09586 0.00724 104 4XZ 0.00419 0.17192 -0.11791 -0.37380 0.14050 105 4YZ 0.04549 0.07060 -0.07236 0.23461 -0.26779 106 8 H 1S 0.19853 -0.13535 0.22522 0.02634 0.00507 107 2S -0.28393 0.27007 -0.27860 -0.13646 -0.08599 108 9 H 1S 0.01613 0.04116 -0.28446 -0.01166 0.01957 109 2S 0.02712 -0.01133 0.51204 0.20588 0.16145 110 10 H 1S -0.16348 0.12972 0.08809 -0.01136 -0.05161 111 2S 0.03572 -0.39168 -0.29105 -0.19880 -0.11555 112 11 H 1S 0.08145 -0.22163 0.17063 -0.01809 -0.01791 113 2S 0.00843 0.44000 -0.15962 0.14647 0.07783 114 12 H 1S 0.04574 0.11751 -0.24481 0.07477 0.11835 115 2S -0.27746 -0.13739 0.27028 -0.10474 -0.08038 116 13 C 1S 0.06722 0.04248 0.02212 -0.02376 -0.02108 117 2S 0.10886 0.10229 0.08404 -0.01137 0.07111 118 2PX -0.02318 -0.01148 0.01705 -0.12831 -0.25097 119 2PY 0.04682 0.05031 0.03352 -0.07854 -0.11593 120 2PZ -0.05544 -0.04828 -0.04700 0.08570 0.12120 121 3S -2.00244 -1.37751 -0.59284 0.54422 0.31716 122 3PX -0.50012 -0.25655 0.20748 -0.39864 -0.68246 123 3PY 0.23600 0.13457 0.13300 -0.22370 -0.28673 124 3PZ -0.62809 -0.53563 -0.02494 0.30130 0.27010 125 4XX -0.07338 -0.19894 -0.04547 -0.01088 -0.22329 126 4YY 0.29982 0.20349 0.06448 0.01899 0.07887 127 4ZZ -0.15578 0.03373 0.00528 -0.05428 0.06599 128 4XY -0.10415 -0.15736 -0.01443 0.29007 0.27570 129 4XZ -0.38288 0.05042 0.15567 -0.37417 -0.53218 130 4YZ 0.36057 0.16583 0.13355 -0.18670 -0.27499 131 14 C 1S -0.04038 -0.02572 -0.00507 -0.00718 -0.02371 132 2S -0.16294 -0.06541 -0.07406 -0.02009 0.01055 133 2PX -0.13876 -0.10811 0.01067 -0.02897 -0.12974 134 2PY -0.00183 -0.01124 0.00537 0.00154 -0.00905 135 2PZ -0.03154 -0.02326 -0.00336 -0.00011 -0.01967 136 3S 1.39687 0.84493 0.14677 0.17275 0.52382 137 3PX -0.69626 -0.42154 -0.09215 -0.12769 -0.32879 138 3PY -0.04277 -0.00593 -0.04359 -0.03660 -0.03312 139 3PZ -0.07997 0.01661 0.04520 -0.06979 -0.11242 140 4XX 0.46654 0.21679 -0.00414 0.13290 0.31723 141 4YY -0.13448 -0.14382 -0.06542 -0.02876 -0.12303 142 4ZZ -0.38377 -0.11217 0.07691 -0.10372 -0.22839 143 4XY 0.22089 0.01861 0.06892 0.11425 0.09509 144 4XZ -0.23321 0.06309 0.05986 -0.09210 -0.03592 145 4YZ -0.19925 -0.00975 0.02117 -0.01449 -0.00203 146 15 H 1S -0.23292 -0.00789 0.00754 -0.05068 -0.02484 147 2S 0.04611 -0.02479 0.00068 0.06526 0.05601 148 16 H 1S 0.17594 -0.00583 -0.08383 0.04299 0.07496 149 2S -0.12550 -0.06335 0.02781 0.01774 -0.00643 150 17 H 1S 0.01973 0.00025 0.03961 0.01652 0.00689 151 2S -0.01064 0.01530 -0.03239 -0.02661 -0.01140 152 18 H 1S 0.28582 0.00604 0.00881 0.09796 0.07643 153 2S -0.23839 -0.10691 0.11530 -0.01956 -0.02533 154 19 H 1S -0.06541 0.03717 0.14506 0.01431 -0.12870 155 2S -0.13448 -0.10540 0.03042 -0.00301 0.03292 156 20 H 1S 0.11293 0.05930 -0.07726 -0.06971 -0.03983 157 2S -0.08274 -0.04108 -0.17812 0.00062 0.01257 141 142 143 144 145 V V V V V Eigenvalues -- 2.70290 2.73354 2.74641 2.76172 2.80843 1 1 C 1S 0.03087 -0.00383 0.01201 -0.01501 0.01855 2 2S 0.01432 -0.08972 0.21988 0.03064 -0.06642 3 2PX 0.00846 0.13973 -0.01274 0.04575 -0.02542 4 2PY -0.02706 -0.00660 0.03238 0.04365 -0.02949 5 2PZ 0.08339 -0.02929 -0.02286 -0.04418 0.05145 6 3S -0.79992 -0.64192 -0.98490 0.16463 -0.35403 7 3PX -0.27714 0.53221 0.54734 0.08256 -0.21063 8 3PY -0.52919 0.06424 0.01155 -0.41236 -0.08637 9 3PZ 0.21628 -0.02901 0.11737 -0.27694 0.03310 10 4XX 0.08932 -0.21519 -0.07083 0.05344 -0.23064 11 4YY 0.20629 0.13432 0.00854 -0.06968 0.21041 12 4ZZ -0.24849 0.08454 0.03393 -0.01602 0.09730 13 4XY -0.12555 0.15751 -0.05278 0.20838 -0.30594 14 4XZ 0.01383 -0.09487 -0.05910 -0.09099 0.17565 15 4YZ 0.26862 -0.10200 -0.03503 -0.10377 -0.02115 16 2 C 1S 0.01162 0.06454 0.03558 0.02802 0.00527 17 2S -0.13740 0.35441 -0.08998 -0.02860 0.10108 18 2PX 0.05427 0.10530 0.18299 0.17407 0.02217 19 2PY 0.11512 -0.10184 -0.21076 0.33550 0.11494 20 2PZ 0.02193 0.00743 0.01622 0.06218 0.01689 21 3S 0.18920 -4.33869 -2.24664 -1.70348 -0.40146 22 3PX 0.27479 2.93654 1.55848 1.25054 0.22504 23 3PY 0.45619 -0.91429 -1.05629 1.88487 0.28827 24 3PZ -0.05044 0.48544 0.18683 0.36332 0.08713 25 4XX 0.12319 0.26947 -0.07713 -0.15551 -0.20912 26 4YY -0.18505 -0.59064 -0.21171 0.00102 0.18178 27 4ZZ 0.08891 0.35951 0.18251 0.13799 0.02554 28 4XY -0.33866 -0.04943 0.02223 -0.27820 -0.56768 29 4XZ -0.21511 0.02550 -0.06638 -0.08460 0.05452 30 4YZ -0.16179 -0.04605 -0.01664 -0.03227 -0.12438 31 3 C 1S -0.01059 -0.06420 0.02037 -0.07415 -0.01665 32 2S 0.14021 -0.36198 -0.18968 -0.18539 0.10194 33 2PX 0.20671 0.10121 0.39486 0.01195 0.03210 34 2PY 0.15211 0.10688 -0.02502 0.12352 0.20581 35 2PZ 0.04391 0.02592 0.06415 0.00456 0.02743 36 3S 0.07736 4.46149 0.03957 3.49753 1.06322 37 3PX 0.17083 -1.02825 0.57347 0.70026 -0.30379 38 3PY 0.00128 2.37640 0.81953 1.84714 0.17927 39 3PZ 0.02585 -0.00088 0.15766 0.27472 -0.03649 40 4XX 0.09408 0.34203 -0.64625 0.32974 0.02675 41 4YY 0.00053 -0.03546 0.52078 -0.01806 0.19416 42 4ZZ -0.10259 -0.31461 0.12768 -0.37977 -0.08932 43 4XY 0.25988 -0.12846 0.33415 0.60865 -0.00225 44 4XZ -0.03621 0.16269 -0.12256 0.21838 0.01267 45 4YZ -0.01346 0.02283 0.08783 0.14271 0.05787 46 4 C 1S -0.02261 0.05215 -0.01690 0.04427 -0.01503 47 2S 0.00497 0.36064 0.16172 0.17216 0.17388 48 2PX -0.07372 -0.22026 0.38435 -0.10559 -0.09965 49 2PY 0.19728 0.05965 -0.18664 0.09293 0.30343 50 2PZ -0.00252 -0.03046 0.05140 -0.00780 0.00387 51 3S 0.99543 -4.46687 -0.32348 -1.62846 0.37452 52 3PX 0.11898 -1.49381 0.50338 -0.59026 -0.86950 53 3PY 0.49894 -1.73439 -0.92324 -1.24173 0.66140 54 3PZ 0.07479 -0.38409 0.01892 -0.20121 -0.10620 55 4XX 0.03485 -0.10885 0.65632 -0.00452 -0.38496 56 4YY 0.14157 -0.25788 -0.53793 -0.16795 0.54987 57 4ZZ -0.14146 0.26626 -0.10636 0.26168 -0.11238 58 4XY -0.16328 -0.36828 -0.22984 0.47411 -0.25409 59 4XZ -0.02665 -0.08183 0.14057 -0.00310 -0.09166 60 4YZ 0.06364 -0.13234 -0.07659 0.03204 0.00911 61 5 C 1S 0.02184 -0.03603 -0.04005 -0.01987 0.00150 62 2S 0.02982 -0.46636 0.04130 -0.00373 -0.04976 63 2PX -0.01739 -0.02376 0.26463 0.05498 0.07156 64 2PY 0.12726 -0.05760 0.10855 -0.27628 0.45152 65 2PZ 0.00222 -0.00709 0.05224 -0.01069 0.04665 66 3S -0.88894 3.93157 2.41544 1.37369 0.16083 67 3PX -0.43229 2.08059 0.81147 0.50659 0.40927 68 3PY 0.52919 -0.71279 -0.11357 -0.07612 1.35157 69 3PZ -0.04239 0.30096 0.12638 0.07969 0.17542 70 4XX 0.26784 0.57450 0.13364 0.14490 0.31842 71 4YY -0.38413 -0.31418 0.20682 0.01604 -0.35034 72 4ZZ 0.14329 -0.18205 -0.22066 -0.10280 0.03952 73 4XY 0.12107 -0.40510 -0.01784 0.16280 0.69011 74 4XZ 0.04286 0.11540 0.06732 0.05717 0.11794 75 4YZ 0.05442 -0.10801 0.02796 0.01984 0.09357 76 6 C 1S -0.00449 0.04644 0.02269 -0.03439 0.02006 77 2S -0.09618 0.42219 0.17816 0.04323 -0.11606 78 2PX -0.09298 -0.28718 0.19440 0.39954 0.12431 79 2PY 0.02791 -0.06011 0.00872 0.04452 0.22055 80 2PZ -0.01401 -0.05283 0.03246 0.06885 0.03834 81 3S 0.37601 -4.21699 -1.30727 0.37539 -1.03358 82 3PX 0.30852 -0.96857 0.62332 0.62580 0.81368 83 3PY -0.31670 2.16130 1.32188 -0.15692 0.49783 84 3PZ 0.03997 -0.00924 0.20656 0.10467 0.15667 85 4XX 0.12218 0.05662 0.13973 0.64880 0.08813 86 4YY -0.18027 -0.35279 -0.16798 -0.49787 -0.26506 87 4ZZ 0.01702 0.23685 0.10416 -0.20588 0.10093 88 4XY -0.03750 0.31643 -0.63387 -0.04260 -0.46161 89 4XZ 0.09888 -0.04372 -0.04714 0.15415 -0.03393 90 4YZ -0.01381 -0.00233 -0.13547 -0.03769 -0.09460 91 7 C 1S -0.00665 -0.07452 -0.03370 0.05773 0.00739 92 2S -0.04430 -0.29563 -0.25526 -0.06900 -0.11045 93 2PX 0.05083 0.04843 0.19261 0.29299 0.06574 94 2PY -0.01089 -0.24657 -0.12196 -0.02461 0.16872 95 2PZ 0.00590 -0.01135 0.02522 0.05219 0.02434 96 3S -0.44929 4.94534 2.04255 -1.86880 -0.34239 97 3PX 0.11557 -1.84825 0.08024 0.08062 -0.09140 98 3PY 0.22187 -1.93175 -1.86198 0.32851 -0.14299 99 3PZ 0.04566 -0.45634 -0.12821 0.01438 -0.00044 100 4XX 0.11554 0.29445 -0.50401 -0.40338 0.05546 101 4YY -0.13860 0.12812 0.62997 0.11435 -0.24699 102 4ZZ -0.05644 -0.39230 -0.19331 0.33642 0.05457 103 4XY -0.10375 -0.17657 -0.29859 0.56817 -0.07958 104 4XZ 0.09820 0.09727 -0.08903 -0.11894 -0.00447 105 4YZ -0.05879 0.03955 0.02798 0.09717 -0.08315 106 8 H 1S 0.02970 0.03749 0.10977 -0.14322 0.12247 107 2S -0.11665 0.59848 0.28194 0.10753 -0.00996 108 9 H 1S 0.09878 0.18276 -0.14708 0.20670 0.01793 109 2S 0.05990 -0.58657 -0.18188 0.01158 -0.05596 110 10 H 1S -0.12339 -0.30366 -0.09423 -0.04998 -0.02129 111 2S -0.07408 0.60650 0.21232 0.12708 0.04103 112 11 H 1S 0.02952 0.22598 0.07864 -0.23081 0.02183 113 2S 0.10340 -0.59550 -0.09741 -0.23223 -0.03216 114 12 H 1S 0.05999 0.03746 -0.06657 0.13844 -0.09036 115 2S -0.02892 0.55691 0.25521 0.25562 0.09304 116 13 C 1S -0.08483 0.02469 -0.00404 0.02503 0.01237 117 2S -0.00950 -0.01065 0.03730 0.04174 -0.00896 118 2PX 0.14764 0.00756 -0.00716 0.01374 -0.15707 119 2PY -0.03219 0.02188 0.02071 0.04799 -0.06434 120 2PZ 0.10347 -0.05395 0.01155 -0.05593 0.02072 121 3S 2.12147 -0.55088 0.10005 -0.42979 -0.30656 122 3PX 0.74470 -0.11514 0.06385 0.27050 -0.47294 123 3PY -0.09422 0.05039 -0.05100 0.08517 -0.10920 124 3PZ 0.59406 -0.16612 -0.05184 0.02244 0.11904 125 4XX 0.75842 -0.21273 -0.00867 -0.06024 -0.41665 126 4YY -0.46697 0.13752 -0.02781 0.06817 0.14504 127 4ZZ -0.49208 0.12940 0.00375 0.04419 0.33321 128 4XY 0.30625 -0.11680 -0.01779 -0.07740 0.05402 129 4XZ -0.02644 0.13692 0.05634 0.15074 -0.14494 130 4YZ -0.02306 0.00252 0.01546 0.11398 -0.19603 131 14 C 1S 0.06391 -0.01197 0.00456 -0.00230 -0.02890 132 2S -0.02888 0.02695 0.03901 -0.01047 0.03115 133 2PX 0.33402 -0.07851 0.00486 -0.00034 -0.15662 134 2PY 0.02508 -0.00945 -0.01027 -0.00384 -0.00521 135 2PZ 0.07567 -0.01545 0.00056 -0.00472 -0.04168 136 3S -1.56656 0.29554 -0.14619 -0.03458 0.57853 137 3PX 0.82925 -0.13688 0.07472 -0.00467 -0.34113 138 3PY 0.03476 0.02628 0.08779 0.02465 -0.06405 139 3PZ 0.09624 -0.04101 0.00118 0.01157 -0.08748 140 4XX -0.55396 0.09031 -0.03440 -0.00043 0.26502 141 4YY 0.38499 -0.09333 0.00560 -0.05011 -0.17229 142 4ZZ 0.30861 -0.02723 0.02751 0.04568 -0.14922 143 4XY 0.04219 -0.03691 -0.01947 0.00890 0.01596 144 4XZ -0.33101 0.12868 0.01872 0.06172 0.16534 145 4YZ -0.04975 0.02602 -0.00700 0.00558 0.04856 146 15 H 1S -0.09473 0.04258 0.00160 0.01556 0.05640 147 2S 0.07000 -0.05597 -0.03091 -0.02917 0.00665 148 16 H 1S -0.00607 -0.01620 0.00263 -0.04034 -0.00073 149 2S 0.06243 -0.00141 -0.00877 0.02360 0.01780 150 17 H 1S 0.00283 0.00998 0.01761 0.03157 0.00219 151 2S -0.01423 0.00261 0.03185 -0.00083 -0.02399 152 18 H 1S 0.16832 -0.08579 -0.01780 0.00384 -0.10759 153 2S 0.02579 0.02407 -0.02355 0.11892 0.09270 154 19 H 1S 0.09747 -0.00703 0.03908 0.06398 -0.00459 155 2S 0.01685 -0.01462 -0.01995 0.06858 0.04106 156 20 H 1S -0.14603 -0.03977 0.05613 0.00699 -0.08358 157 2S -0.08876 0.03826 -0.05429 -0.22303 0.07320 146 147 148 149 150 V V V V V Eigenvalues -- 2.90896 3.06967 3.41570 4.09503 4.11626 1 1 C 1S 0.05550 0.00578 0.03306 -0.06167 0.13835 2 2S 0.13089 -0.07101 -0.23741 0.38697 -0.73092 3 2PX 0.27661 -0.03467 0.15006 -0.00822 -0.02445 4 2PY -0.00976 -0.02340 -0.03363 0.00582 -0.01270 5 2PZ -0.02668 0.02111 0.02054 -0.00962 0.02949 6 3S -0.66410 0.00981 -0.88143 0.00120 -0.62576 7 3PX 0.73287 -0.16908 0.32611 0.09022 0.12568 8 3PY -0.02194 -0.11850 -0.06975 -0.01321 -0.02693 9 3PZ -0.02438 -0.00674 0.05836 -0.00019 -0.01127 10 4XX -0.57431 -0.08394 -0.08855 -0.18867 0.43911 11 4YY 0.30173 0.10862 0.20785 -0.24729 0.50197 12 4ZZ 0.38080 0.03718 0.13728 -0.23534 0.48966 13 4XY 0.29842 -0.22700 0.06379 -0.00445 -0.01945 14 4XZ -0.28384 0.04727 -0.04328 -0.00265 0.03223 15 4YZ -0.08613 -0.02364 0.00681 -0.01961 0.04742 16 2 C 1S -0.13295 0.00460 0.05858 -0.11033 0.10313 17 2S -0.54013 0.06006 0.07994 0.78444 -0.64847 18 2PX 0.13042 0.08447 0.11068 -0.08043 -0.01740 19 2PY -0.02950 0.40096 -0.02068 -0.00705 0.13456 20 2PZ 0.02509 0.04493 0.01732 -0.00965 0.00458 21 3S 7.17791 -0.33218 -3.64539 -0.03262 -0.07364 22 3PX -2.28111 0.36176 2.49174 0.38959 0.08388 23 3PY 0.45474 1.91260 -0.55646 -0.00287 -0.23455 24 3PZ -0.35003 0.21266 0.38952 0.05632 -0.00150 25 4XX 0.73151 -0.33783 0.43577 -0.40932 0.32517 26 4YY -0.24627 0.32596 -0.65404 -0.38653 0.45406 27 4ZZ -0.59621 -0.00234 0.24377 -0.42623 0.40354 28 4XY -0.25672 -0.79713 -0.27722 0.01538 -0.05824 29 4XZ 0.25175 -0.08898 0.02073 0.00700 -0.02832 30 4YZ 0.00687 -0.11928 -0.12208 0.00687 -0.01341 31 3 C 1S 0.07786 -0.00687 -0.07490 -0.17651 0.20190 32 2S 0.50024 0.00532 -0.04847 1.18266 -1.21907 33 2PX 0.12577 0.37734 -0.03624 -0.05264 -0.02284 34 2PY -0.05528 0.16837 0.09426 0.03449 0.02540 35 2PZ 0.01515 0.07863 0.00160 -0.00740 -0.00304 36 3S -6.09042 0.40660 3.99815 0.63672 -0.77276 37 3PX 1.06948 1.65158 -0.69952 -0.03464 0.04027 38 3PY -3.09899 0.66977 2.13604 0.15660 -0.17784 39 3PZ -0.03810 0.32641 0.03781 0.01297 -0.00686 40 4XX -0.12351 -0.32175 0.53840 -0.59769 0.73761 41 4YY -0.30416 0.38592 -0.38101 -0.69412 0.76130 42 4ZZ 0.36557 -0.02827 -0.28147 -0.67541 0.77810 43 4XY 0.11794 0.57851 0.37136 -0.00131 -0.01291 44 4XZ -0.07377 -0.01514 0.19466 0.01679 -0.01134 45 4YZ -0.03409 0.14113 0.05779 0.00037 -0.00633 46 4 C 1S -0.08361 0.00123 0.07394 -0.23523 0.08817 47 2S -0.48881 0.04346 0.04386 1.60440 -0.56777 48 2PX 0.04764 0.27174 -0.07296 0.00625 -0.08245 49 2PY 0.09108 -0.21823 -0.07467 0.04906 0.10059 50 2PZ 0.01648 0.02970 -0.01762 0.00499 -0.00691 51 3S 5.96854 -0.08203 -3.98178 0.24931 -0.05636 52 3PX 2.41223 1.09535 -1.43381 -0.11110 0.10817 53 3PY 2.40792 -1.17537 -1.63789 -0.14043 0.03028 54 3PZ 0.58067 0.09781 -0.36324 -0.03198 0.02159 55 4XX 0.31692 0.50659 -0.15840 -0.90175 0.26782 56 4YY 0.08705 -0.51974 -0.03103 -0.87602 0.43380 57 4ZZ -0.36894 0.01656 0.30768 -0.91560 0.34302 58 4XY -0.07578 0.05808 0.65610 -0.03986 -0.02170 59 4XZ 0.13841 0.09964 -0.04231 -0.00084 -0.01691 60 4YZ 0.02160 -0.03557 0.08228 -0.00354 0.00444 61 5 C 1S 0.07086 -0.00064 -0.07209 -0.24442 -0.12483 62 2S 0.41315 -0.01344 -0.07194 1.60339 0.80512 63 2PX -0.10034 -0.06615 0.09783 0.04216 0.01574 64 2PY 0.01007 -0.33175 -0.02219 -0.02700 0.12592 65 2PZ -0.01574 -0.03501 0.01469 0.00500 0.01190 66 3S -5.66325 0.14616 3.97398 0.70933 0.17132 67 3PX -3.20495 -0.22414 2.14989 0.08587 -0.11067 68 3PY 0.65092 -1.52093 -0.47715 -0.02360 -0.00731 69 3PZ -0.49405 -0.14639 0.32946 0.01335 -0.02072 70 4XX -0.01739 -0.18621 -0.41960 -0.94177 -0.44483 71 4YY -0.31932 0.20867 0.62080 -0.85027 -0.51762 72 4ZZ 0.30009 -0.01610 -0.29408 -0.94445 -0.48502 73 4XY -0.09905 -0.52308 0.26144 0.00822 0.09231 74 4XZ -0.07354 -0.07273 -0.00411 0.00128 0.01486 75 4YZ -0.07730 -0.06941 0.12181 0.00897 0.01310 76 6 C 1S -0.08280 0.00261 0.07435 -0.19180 -0.24399 77 2S -0.46776 -0.01205 0.04352 1.33694 1.45653 78 2PX -0.01688 -0.34274 -0.04201 -0.03270 0.00832 79 2PY -0.11893 -0.08083 0.09797 -0.05548 0.01849 80 2PZ -0.01211 -0.06269 0.00050 -0.00996 0.00194 81 3S 5.92390 -0.25209 -3.99579 0.12933 1.00372 82 3PX 1.13407 -1.53990 -0.67463 -0.07131 0.18788 83 3PY -3.19894 -0.42490 2.10843 0.16620 -0.16292 84 3PZ -0.03685 -0.29750 0.03648 0.00174 0.02306 85 4XX 0.29512 -0.31628 -0.54114 -0.72702 -0.86143 86 4YY 0.10523 0.28960 0.38176 -0.73555 -0.91110 87 4ZZ -0.36695 0.01388 0.27870 -0.74354 -0.94391 88 4XY -0.02265 0.49600 -0.37222 0.04998 0.00082 89 4XZ 0.12563 -0.02846 -0.19341 0.00764 0.01690 90 4YZ 0.03492 0.11010 -0.05644 0.00886 0.00286 91 7 C 1S 0.07502 0.00267 -0.07571 -0.11967 -0.14531 92 2S 0.48012 -0.01394 -0.04857 0.83562 0.91578 93 2PX 0.12156 -0.27794 -0.07359 -0.05945 -0.09722 94 2PY -0.00803 0.30686 -0.06640 -0.02442 0.10260 95 2PZ 0.02124 -0.02705 -0.01849 -0.00989 -0.00740 96 3S -5.87205 -0.06774 4.01490 0.40311 0.25404 97 3PX 2.13041 -1.36855 -1.48583 -0.12882 0.28989 98 3PY 2.35079 1.19218 -1.66145 -0.03684 -0.17381 99 3PZ 0.51617 -0.13487 -0.36548 -0.02638 0.03207 100 4XX -0.18332 0.58691 0.15817 -0.40596 -0.49722 101 4YY -0.19892 -0.65971 0.02772 -0.45667 -0.61705 102 4ZZ 0.33877 0.03334 -0.31544 -0.45659 -0.57054 103 4XY -0.14259 0.09374 -0.65882 -0.04277 0.02932 104 4XZ -0.12433 0.11784 0.04563 0.00707 0.01622 105 4YZ -0.05939 -0.04880 -0.08221 -0.00796 0.00021 106 8 H 1S 0.07209 0.01409 0.26133 0.07318 0.02889 107 2S -0.71851 -0.00043 0.38324 -0.07532 -0.08441 108 9 H 1S 0.03858 0.00990 -0.25949 0.08653 0.09898 109 2S 0.76116 -0.01506 -0.36405 -0.19834 -0.12523 110 10 H 1S -0.11293 0.00005 0.25914 0.11590 0.04349 111 2S -0.69450 0.02005 0.37628 -0.17317 -0.11723 112 11 H 1S 0.04043 -0.00752 -0.25896 0.10263 -0.03122 113 2S 0.77756 -0.03755 -0.36277 -0.23056 0.08844 114 12 H 1S 0.07596 -0.01339 0.25948 0.09222 -0.09016 115 2S -0.72639 0.03246 0.37815 -0.09388 0.08797 116 13 C 1S 0.01248 0.00859 0.00466 -0.05499 0.18923 117 2S -0.07847 -0.09629 -0.04005 0.34646 -1.19625 118 2PX 0.04262 -0.02274 0.01690 -0.00948 -0.01649 119 2PY 0.04625 -0.03349 -0.00055 -0.00694 0.00256 120 2PZ -0.07833 0.00968 -0.01261 0.00792 -0.00776 121 3S 0.07893 -0.01804 0.04561 0.15531 -0.42159 122 3PX 0.29324 -0.16959 -0.01332 0.10774 -0.01837 123 3PY 0.06834 -0.02533 -0.00232 0.01933 -0.00854 124 3PZ 0.00035 0.08233 0.02652 0.00751 0.02300 125 4XX -0.07293 -0.11927 -0.01156 -0.18704 0.68416 126 4YY 0.03191 0.06061 0.02444 -0.20496 0.71848 127 4ZZ 0.08856 0.17761 0.02456 -0.21460 0.74141 128 4XY -0.16486 0.03524 -0.00911 0.01227 -0.01555 129 4XZ 0.26237 -0.03879 0.02995 -0.00554 0.00805 130 4YZ 0.03758 -0.08240 -0.01149 0.00082 0.01003 131 14 C 1S 0.00925 -0.00940 0.00079 -0.05214 0.16815 132 2S 0.11328 0.02373 0.01425 0.34837 -1.00222 133 2PX -0.00424 -0.04377 -0.00369 -0.00941 0.04683 134 2PY -0.01118 0.00101 -0.00160 -0.00140 -0.00359 135 2PZ -0.00067 -0.01505 0.00061 0.00032 0.00649 136 3S -0.41319 0.15698 -0.02673 0.09177 -0.65764 137 3PX 0.22628 -0.09430 0.02694 0.07604 -0.08499 138 3PY 0.11558 -0.04064 0.01760 0.00541 0.02411 139 3PZ -0.04429 -0.03206 -0.02500 0.00296 -0.00470 140 4XX -0.07208 0.05705 -0.00569 -0.19248 0.56023 141 4YY -0.00585 -0.04641 -0.00237 -0.20946 0.65352 142 4ZZ 0.06159 -0.04321 0.00441 -0.20824 0.65240 143 4XY -0.07023 0.00784 -0.00546 0.00234 -0.00389 144 4XZ 0.10920 0.05536 0.01428 0.00503 -0.02300 145 4YZ 0.00303 0.01909 0.00094 0.00103 -0.00269 146 15 H 1S 0.04064 0.01971 0.00250 0.02158 -0.05565 147 2S -0.08710 0.00935 -0.01802 -0.05858 0.16905 148 16 H 1S 0.00642 -0.00334 0.00376 0.02146 -0.05443 149 2S 0.02066 0.01645 0.00510 -0.04232 0.15996 150 17 H 1S 0.03767 -0.00490 0.00648 0.02355 -0.05111 151 2S 0.02301 -0.01138 -0.00419 -0.05728 0.19910 152 18 H 1S -0.07842 -0.06585 -0.01901 0.04343 -0.09310 153 2S 0.05266 0.05017 0.01789 -0.05371 0.16858 154 19 H 1S -0.01540 -0.01280 -0.01209 0.03648 -0.04320 155 2S 0.05273 0.02641 0.01877 -0.06613 0.14916 156 20 H 1S -0.02017 -0.02197 -0.04637 0.03103 -0.04884 157 2S 0.07577 -0.04358 0.04640 -0.04745 0.12062 151 152 153 154 155 V V V V V Eigenvalues -- 4.12931 4.15326 4.30335 4.34154 4.36292 1 1 C 1S -0.12787 0.00847 -0.30877 0.10398 -0.00508 2 2S 0.64864 -0.07297 1.53134 -0.46954 0.05500 3 2PX 0.04033 -0.09358 -0.01209 0.00140 0.07353 4 2PY 0.03012 -0.00935 -0.02644 -0.00243 0.02019 5 2PZ -0.02969 0.01803 0.01510 -0.00244 -0.04249 6 3S 0.62811 -0.12817 1.81122 -0.68198 -0.15462 7 3PX -0.20808 0.28262 0.08065 -0.02529 -0.05869 8 3PY -0.09965 0.06902 0.02982 -0.00569 -0.08365 9 3PZ -0.04736 -0.08391 -0.05032 0.05418 0.14861 10 4XX -0.39239 0.13226 -1.10837 0.35071 -0.11707 11 4YY -0.45370 0.00709 -1.12518 0.36843 -0.02258 12 4ZZ -0.44398 0.00100 -1.13970 0.37179 0.07135 13 4XY 0.04013 -0.06804 -0.01028 -0.00209 0.09674 14 4XZ -0.04119 0.06287 0.03049 -0.00344 -0.09239 15 4YZ -0.05519 0.01634 -0.01603 0.01668 -0.06009 16 2 C 1S -0.08543 -0.24163 -0.13823 0.06336 0.20948 17 2S 0.54309 1.49591 0.77360 -0.34881 -1.26188 18 2PX 0.05195 -0.07919 0.09541 -0.06597 -0.05015 19 2PY 0.10416 0.01911 -0.08019 -0.16773 0.02065 20 2PZ 0.02375 -0.00250 0.01708 -0.03074 -0.00995 21 3S -0.01683 0.29321 0.44731 -0.18644 -0.86917 22 3PX -0.07867 0.49182 -0.00997 0.03227 0.07942 23 3PY 0.34644 -0.22510 0.28834 0.11190 0.15667 24 3PZ -0.00216 0.04834 0.01844 0.02671 0.01675 25 4XX -0.33379 -0.95641 -0.42065 0.26110 0.90327 26 4YY -0.30103 -0.83151 -0.71977 0.24789 0.97379 27 4ZZ -0.33872 -0.93858 -0.51441 0.24040 0.78522 28 4XY -0.13122 0.03140 -0.05742 0.15824 -0.00023 29 4XZ -0.00049 -0.00716 0.02653 0.01290 0.03377 30 4YZ -0.01227 0.00279 -0.03165 0.03049 0.03085 31 3 C 1S 0.12849 -0.18837 0.02230 -0.25918 -0.06960 32 2S -0.81810 1.14755 -0.14850 1.51406 0.43742 33 2PX 0.11655 0.12528 0.12632 0.08652 -0.11474 34 2PY 0.05437 0.02174 0.04002 -0.12112 -0.08275 35 2PZ 0.02364 0.01670 0.02113 0.00829 -0.01954 36 3S -0.01842 0.93250 0.32287 1.51498 0.22193 37 3PX 0.01905 -0.30236 -0.19932 -0.10471 0.33794 38 3PY 0.10577 0.26802 0.24530 0.19170 -0.01036 39 3PZ 0.01980 -0.00970 -0.00428 -0.01645 0.04540 40 4XX 0.47359 -0.77648 0.09480 -1.25345 -0.30186 41 4YY 0.52643 -0.65098 0.11210 -1.01711 -0.34873 42 4ZZ 0.50878 -0.72187 0.09930 -0.98066 -0.26585 43 4XY 0.08486 0.06373 0.08916 -0.04400 -0.08785 44 4XZ 0.00313 -0.00607 0.00655 -0.05955 -0.01187 45 4YZ 0.02054 0.01746 0.01876 -0.01385 -0.01871 46 4 C 1S 0.21774 0.06884 0.14674 0.20075 -0.11508 47 2S -1.28593 -0.35663 -0.80333 -1.19669 0.62905 48 2PX 0.00036 0.12669 -0.00134 0.16431 0.04159 49 2PY 0.03982 -0.08288 0.08960 0.00733 -0.12269 50 2PZ 0.00342 0.01599 0.00711 0.02777 -0.00252 51 3S -0.86454 -0.54831 -1.27340 -1.14593 1.05080 52 3PX -0.10760 -0.27536 -0.22667 -0.20165 0.21173 53 3PY -0.22888 -0.01912 -0.34960 -0.04979 0.20669 54 3PZ -0.03863 -0.05562 -0.06959 -0.03265 0.05495 55 4XX 0.78437 0.34801 0.56155 0.97999 -0.42016 56 4YY 0.81527 0.15019 0.63242 0.80931 -0.56551 57 4ZZ 0.84172 0.26525 0.54613 0.75395 -0.42261 58 4XY 0.01168 -0.00302 -0.03965 -0.09895 0.07018 59 4XZ -0.01083 0.01393 -0.00151 0.03910 0.00761 60 4YZ -0.00092 -0.00940 0.00036 -0.01157 -0.00091 61 5 C 1S 0.07065 0.21030 -0.12780 0.04431 0.19687 62 2S -0.45477 -1.27152 0.70640 -0.24622 -1.13212 63 2PX 0.03789 0.06557 -0.04871 0.05716 0.11068 64 2PY 0.12680 0.00354 0.08047 0.16727 -0.02434 65 2PZ 0.01533 0.01105 -0.00234 0.02203 0.01650 66 3S -0.05680 -0.56087 1.06843 -0.39948 -1.49068 67 3PX 0.05579 0.00157 0.34577 -0.17113 -0.37584 68 3PY -0.19075 0.03776 -0.21146 -0.12329 -0.00852 69 3PZ -0.00212 0.00177 0.04335 -0.03844 -0.05962 70 4XX 0.30495 0.81428 -0.48498 0.22106 0.78213 71 4YY 0.24505 0.82905 -0.57481 0.14959 0.95061 72 4ZZ 0.28004 0.81801 -0.47505 0.16771 0.73120 73 4XY 0.09410 0.02237 0.03131 0.13006 0.03329 74 4XZ 0.01252 0.00042 0.00022 0.02073 0.01409 75 4YZ 0.01272 0.00331 -0.00391 0.02143 0.02556 76 6 C 1S -0.14005 0.02258 -0.02434 -0.25136 -0.11014 77 2S 0.90054 -0.08491 0.22115 1.43481 0.63863 78 2PX 0.09142 0.16651 -0.11869 -0.10678 0.06875 79 2PY 0.05439 0.03144 -0.01049 0.11416 0.09450 80 2PZ 0.01986 0.02742 -0.02165 -0.00878 0.02162 81 3S 0.18155 -0.27737 -0.37973 1.81013 0.78125 82 3PX -0.21606 -0.10311 -0.14338 0.25348 -0.16788 83 3PY -0.03706 0.14651 0.18010 -0.36821 -0.30814 84 3PZ -0.04126 0.00626 -0.00676 0.01183 -0.06701 85 4XX -0.52323 0.15635 -0.22726 -1.18740 -0.49839 86 4YY -0.57842 -0.00013 -0.07357 -0.98211 -0.47843 87 4ZZ -0.54554 0.08560 -0.09679 -0.94289 -0.41251 88 4XY -0.06405 -0.10038 0.05428 -0.02513 -0.09122 89 4XZ -0.00035 0.00873 -0.02105 -0.05202 -0.02711 90 4YZ -0.01373 -0.02566 0.01075 -0.00766 -0.01991 91 7 C 1S -0.19528 -0.21839 0.15983 0.21420 -0.07222 92 2S 1.22070 1.31717 -0.95658 -1.23883 0.44779 93 2PX -0.00167 0.08325 -0.00967 -0.16975 -0.05498 94 2PY 0.02901 -0.05579 -0.09713 0.00191 0.11570 95 2PZ 0.00189 0.02014 -0.00450 -0.03259 -0.01163 96 3S 0.47275 1.00209 -0.69259 -1.46964 0.32282 97 3PX -0.27663 -0.16858 -0.35563 0.41400 -0.06776 98 3PY 0.14182 -0.28585 0.20493 0.12080 0.11571 99 3PZ -0.03294 -0.06845 -0.05391 0.08501 0.02467 100 4XX -0.70247 -0.91150 0.71555 1.00696 -0.22686 101 4YY -0.77180 -0.72049 0.70100 0.84138 -0.44564 102 4ZZ -0.75248 -0.84380 0.61295 0.79883 -0.26624 103 4XY -0.01727 0.00909 -0.11494 -0.08009 0.03736 104 4XZ 0.00969 -0.01346 0.01151 0.03564 0.01058 105 4YZ -0.00426 0.00765 -0.01407 -0.00778 -0.00638 106 8 H 1S 0.10933 0.07694 -0.00328 -0.08361 0.04847 107 2S -0.15023 -0.03156 0.15734 0.11063 -0.14805 108 9 H 1S 0.06113 -0.01080 0.00746 0.08091 0.04153 109 2S -0.10597 -0.03384 -0.07242 -0.12753 -0.03790 110 10 H 1S -0.02087 -0.07921 0.05789 -0.01962 -0.06384 111 2S 0.07234 0.14924 -0.02257 0.00695 0.09787 112 11 H 1S -0.09541 -0.02340 -0.05728 -0.06165 0.03456 113 2S 0.08845 -0.00122 0.02452 0.14629 -0.03682 114 12 H 1S -0.04755 0.08934 0.01819 0.07281 0.00412 115 2S 0.12053 -0.04791 0.13445 -0.21005 -0.08278 116 13 C 1S -0.21237 0.16839 -0.04891 0.03118 -0.24555 117 2S 1.33023 -1.01967 0.35277 -0.20337 1.51287 118 2PX 0.01481 -0.05365 -0.12259 0.05085 -0.05792 119 2PY 0.00384 -0.02026 -0.04599 0.01116 0.02504 120 2PZ -0.00105 0.01380 0.01886 0.00007 -0.04713 121 3S 0.57095 -0.53699 0.06356 -0.12295 1.38857 122 3PX 0.12076 0.30325 0.36294 -0.24915 -0.04270 123 3PY 0.01533 0.09247 0.14070 -0.06767 -0.07278 124 3PZ 0.05810 -0.04689 -0.08800 0.00827 0.03722 125 4XX -0.75229 0.62424 -0.33871 0.16186 -1.17024 126 4YY -0.81416 0.65384 -0.14695 0.10618 -0.94972 127 4ZZ -0.83749 0.64920 -0.14398 0.11607 -0.94049 128 4XY 0.01032 0.00878 0.04385 -0.00859 -0.03942 129 4XZ 0.00588 -0.01287 -0.12282 0.03316 -0.02445 130 4YZ 0.00236 0.01281 -0.05983 0.00960 -0.00545 131 14 C 1S -0.20284 0.14443 0.27887 -0.09144 0.23863 132 2S 1.22637 -0.77842 -1.53458 0.46909 -1.39834 133 2PX -0.03883 0.04410 -0.07279 0.02140 -0.12289 134 2PY 0.00497 -0.00690 -0.01162 0.00447 -0.00272 135 2PZ -0.00681 0.01046 -0.00137 -0.00002 -0.02328 136 3S 0.69447 -0.81455 -1.70466 0.70403 -1.45383 137 3PX 0.14354 0.02289 0.07335 -0.08397 0.08034 138 3PY -0.02692 0.02139 0.00717 -0.00655 0.01657 139 3PZ 0.00911 0.02598 -0.01506 -0.00566 -0.02063 140 4XX -0.70112 0.45155 1.13860 -0.36451 1.11389 141 4YY -0.79356 0.54849 1.04672 -0.33550 0.88760 142 4ZZ -0.78563 0.54268 1.02970 -0.33214 0.90308 143 4XY 0.00512 0.00129 0.01009 -0.00408 0.00840 144 4XZ 0.02659 -0.03054 0.01659 -0.00619 0.06477 145 4YZ 0.00157 0.00532 0.01561 -0.00478 -0.00716 146 15 H 1S 0.07023 -0.03207 -0.04170 0.00685 -0.04159 147 2S -0.20253 0.14254 0.27308 -0.08936 0.24697 148 16 H 1S 0.06503 -0.03990 -0.04337 0.00873 -0.02584 149 2S -0.18659 0.15614 0.34002 -0.11666 0.25325 150 17 H 1S 0.06631 -0.03310 -0.04934 0.00882 -0.02292 151 2S -0.23890 0.18103 0.30981 -0.10456 0.22185 152 18 H 1S 0.12228 -0.02825 0.03113 -0.03677 0.03062 153 2S -0.16491 0.11509 -0.04165 0.03258 -0.23834 154 19 H 1S 0.05505 0.01629 0.04919 -0.02198 -0.02433 155 2S -0.10740 -0.02517 -0.37869 0.12801 -0.02119 156 20 H 1S 0.03262 -0.00523 0.04445 -0.00954 0.03805 157 2S -0.18277 0.04808 -0.33934 0.14895 -0.08190 156 157 V V Eigenvalues -- 4.46939 4.70498 1 1 C 1S -0.32645 0.11745 2 2S 1.79044 -0.71245 3 2PX 0.01461 -0.05857 4 2PY -0.07163 0.03181 5 2PZ 0.09086 -0.03132 6 3S 2.49959 -0.52570 7 3PX -0.09990 -0.02833 8 3PY 0.08016 0.00401 9 3PZ -0.12395 -0.05086 10 4XX -1.41203 0.62411 11 4YY -1.23275 0.48024 12 4ZZ -1.29139 0.42845 13 4XY -0.04638 -0.02087 14 4XZ 0.07597 0.01180 15 4YZ 0.09540 -0.02819 16 2 C 1S 0.12999 -0.26326 17 2S -0.86623 1.31453 18 2PX 0.06651 0.10838 19 2PY -0.01089 -0.02705 20 2PZ 0.00390 0.02341 21 3S -0.53343 3.73391 22 3PX -0.59538 -1.29845 23 3PY 0.06018 0.32388 24 3PZ -0.05289 -0.21775 25 4XX 0.72428 -1.11631 26 4YY 0.48857 -1.28999 27 4ZZ 0.51179 -0.92325 28 4XY -0.06491 -0.04238 29 4XZ 0.03860 -0.04434 30 4YZ -0.02925 -0.03744 31 3 C 1S 0.04531 0.20496 32 2S -0.16941 -0.99197 33 2PX -0.07236 -0.02929 34 2PY -0.02433 0.16429 35 2PZ -0.01802 0.00577 36 3S -0.68829 -3.35105 37 3PX 0.06051 0.38354 38 3PY -0.27410 -1.31778 39 3PZ -0.01666 -0.02068 40 4XX 0.25418 1.04521 41 4YY 0.06119 0.83229 42 4ZZ 0.16804 0.70899 43 4XY -0.03782 0.11686 44 4XZ 0.00849 0.07944 45 4YZ -0.02167 0.03366 46 4 C 1S -0.12397 -0.18965 47 2S 0.68049 0.87502 48 2PX -0.02528 -0.10399 49 2PY -0.09539 -0.10026 50 2PZ -0.01101 -0.02448 51 3S 1.25125 3.24271 52 3PX 0.17014 0.89268 53 3PY 0.38112 1.02986 54 3PZ 0.05795 0.22244 55 4XX -0.55079 -0.87043 56 4YY -0.58763 -0.82748 57 4ZZ -0.44734 -0.64643 58 4XY 0.11006 0.16671 59 4XZ -0.01364 -0.03291 60 4YZ 0.00713 0.01227 61 5 C 1S 0.16241 0.18348 62 2S -0.89253 -0.83602 63 2PX 0.10417 0.13540 64 2PY -0.02852 -0.03249 65 2PZ 0.01636 0.02025 66 3S -1.57920 -3.22775 67 3PX -0.45626 -1.33571 68 3PY 0.13935 0.30637 69 3PZ -0.07281 -0.20201 70 4XX 0.63820 0.68786 71 4YY 0.82632 0.94598 72 4ZZ 0.58912 0.62566 73 4XY 0.04451 0.06286 74 4XZ 0.01246 0.01779 75 4YZ 0.02730 0.03751 76 6 C 1S -0.11360 -0.19103 77 2S 0.61372 0.87142 78 2PX 0.03010 -0.05365 79 2PY 0.09032 0.13545 80 2PZ 0.00946 0.00037 81 3S 1.23706 3.30509 82 3PX 0.08305 0.45692 83 3PY -0.39178 -1.33259 84 3PZ -0.00053 -0.01823 85 4XX -0.55677 -0.96185 86 4YY -0.46900 -0.72878 87 4ZZ -0.41360 -0.65795 88 4XY -0.09237 -0.08783 89 4XZ -0.03374 -0.06725 90 4YZ -0.02147 -0.02198 91 7 C 1S 0.02511 0.20517 92 2S -0.05539 -0.98303 93 2PX -0.05698 -0.09886 94 2PY 0.05938 -0.13017 95 2PZ 0.00207 -0.02390 96 3S -0.58301 -3.45447 97 3PX 0.27662 0.91827 98 3PY 0.14259 1.03929 99 3PZ 0.02800 0.22906 100 4XX 0.14165 0.92745 101 4YY 0.00027 0.95016 102 4ZZ 0.09154 0.69830 103 4XY -0.04595 -0.17439 104 4XZ 0.00609 0.03315 105 4YZ -0.01505 -0.00979 106 8 H 1S -0.00611 -0.08921 107 2S -0.01780 -0.10253 108 9 H 1S 0.03316 0.07871 109 2S -0.02480 0.13518 110 10 H 1S -0.04950 -0.07617 111 2S 0.04309 -0.13503 112 11 H 1S 0.03903 0.07839 113 2S -0.03253 0.13041 114 12 H 1S 0.00629 -0.08420 115 2S -0.00495 -0.11385 116 13 C 1S 0.22242 -0.02457 117 2S -1.42607 0.21449 118 2PX 0.01091 -0.01108 119 2PY -0.05682 0.00905 120 2PZ 0.08314 -0.02273 121 3S -1.60563 0.23529 122 3PX -0.00479 0.11808 123 3PY 0.11980 0.01010 124 3PZ -0.13292 0.03663 125 4XX 1.06270 -0.14156 126 4YY 0.90285 -0.11114 127 4ZZ 0.93908 -0.14093 128 4XY 0.09355 -0.02401 129 4XZ -0.09549 0.03833 130 4YZ -0.09294 0.04353 131 14 C 1S -0.10746 0.00922 132 2S 0.65590 -0.05381 133 2PX 0.07591 -0.00225 134 2PY -0.00870 0.00464 135 2PZ 0.02579 -0.00462 136 3S 0.85902 -0.16921 137 3PX -0.14006 0.05122 138 3PY 0.00859 -0.02189 139 3PZ -0.03079 0.02887 140 4XX -0.56634 0.04962 141 4YY -0.38408 0.02866 142 4ZZ -0.42215 0.03877 143 4XY -0.01087 0.00553 144 4XZ -0.05582 0.00461 145 4YZ 0.01795 -0.00200 146 15 H 1S 0.01237 0.00487 147 2S -0.13574 0.02419 148 16 H 1S 0.00560 -0.00226 149 2S -0.08659 0.00543 150 17 H 1S -0.01294 0.00501 151 2S -0.05417 -0.00771 152 18 H 1S -0.04968 0.02451 153 2S 0.24412 -0.02839 154 19 H 1S 0.01746 0.01894 155 2S -0.32855 0.10903 156 20 H 1S -0.00246 -0.01984 157 2S -0.33152 0.12719 Alpha Density Matrix: 1 2 3 4 5 1 1 C 1S 1.02522 2 2S -0.02598 0.15081 3 2PX 0.00023 0.00048 0.19219 4 2PY 0.00081 0.00014 0.00164 0.19576 5 2PZ -0.00138 0.00078 0.00393 0.00373 0.19588 6 3S -0.09553 0.14386 -0.03139 0.00420 -0.00286 7 3PX 0.00239 -0.00229 0.09428 -0.00330 0.00622 8 3PY 0.00094 -0.00289 -0.00116 0.08517 0.00205 9 3PZ -0.00023 0.00175 0.00406 0.00057 0.08653 10 4XX -0.00774 -0.00276 -0.00688 0.00435 -0.00384 11 4YY -0.00858 -0.00089 0.00246 -0.01205 -0.00254 12 4ZZ -0.00853 -0.00089 0.00478 0.00533 0.00892 13 4XY 0.00014 -0.00026 0.00382 0.00283 -0.00055 14 4XZ -0.00045 0.00081 -0.00317 -0.00068 0.00549 15 4YZ -0.00039 0.00088 -0.00036 -0.00115 0.00470 16 2 C 1S 0.00636 -0.01145 0.03368 -0.00860 0.00644 17 2S -0.01188 0.02030 -0.06956 0.01641 -0.01433 18 2PX -0.03190 0.06270 -0.14801 0.03560 -0.03029 19 2PY 0.00693 -0.01345 0.03303 -0.00342 0.00480 20 2PZ -0.00451 0.00865 -0.02601 0.00509 0.01105 21 3S 0.00140 0.00562 -0.06313 0.03476 -0.01027 22 3PX -0.00114 0.00888 -0.01899 0.00378 -0.00542 23 3PY -0.00308 0.00284 0.00295 -0.00317 0.00066 24 3PZ 0.00019 0.00020 -0.00426 0.00043 -0.00138 25 4XX -0.00302 0.00537 -0.00230 0.00201 -0.00181 26 4YY 0.00123 -0.00274 0.00422 -0.00336 0.00035 27 4ZZ 0.00061 -0.00137 0.00243 -0.00032 0.00231 28 4XY 0.00120 -0.00209 0.00293 0.00472 0.00083 29 4XZ -0.00072 0.00123 -0.00149 0.00078 0.00495 30 4YZ 0.00025 -0.00047 0.00071 0.00066 -0.00065 31 3 C 1S -0.00211 0.00439 -0.00790 -0.00308 -0.00195 32 2S 0.00415 -0.00919 0.01612 0.00772 0.00397 33 2PX 0.00740 -0.01599 0.02703 0.00671 0.00815 34 2PY 0.00132 -0.00334 0.01352 -0.00786 0.00280 35 2PZ 0.00181 -0.00273 0.00682 -0.00021 -0.01043 36 3S 0.00540 -0.01254 0.04798 0.01482 0.01211 37 3PX 0.00072 -0.00176 -0.00406 -0.00758 -0.00023 38 3PY -0.00005 -0.00076 0.02011 -0.01101 0.00321 39 3PZ 0.00041 -0.00020 0.00245 -0.00326 -0.01112 40 4XX -0.00111 0.00199 -0.00511 -0.00012 -0.00127 41 4YY 0.00082 -0.00153 0.00385 -0.00003 0.00079 42 4ZZ -0.00025 0.00038 -0.00066 0.00011 0.00004 43 4XY -0.00004 0.00004 -0.00072 0.00007 -0.00017 44 4XZ -0.00016 0.00025 -0.00105 -0.00013 0.00025 45 4YZ 0.00010 -0.00017 0.00025 -0.00001 -0.00003 46 4 C 1S 0.00105 -0.00227 0.00491 0.00082 0.00118 47 2S -0.00273 0.00516 -0.01123 -0.00102 -0.00248 48 2PX -0.00509 0.00988 -0.02113 -0.00210 -0.00454 49 2PY 0.00084 -0.00226 0.00333 0.00234 0.00110 50 2PZ -0.00085 0.00250 -0.00307 0.00065 -0.00154 51 3S -0.00299 0.00856 -0.03554 -0.01079 -0.00980 52 3PX -0.00247 0.00604 -0.02092 -0.00643 -0.00548 53 3PY 0.00305 -0.00475 0.00915 0.00435 0.00235 54 3PZ -0.00027 0.00155 -0.00273 0.00017 -0.00131 55 4XX 0.00019 -0.00032 0.00081 -0.00017 0.00037 56 4YY 0.00013 -0.00028 0.00027 0.00016 0.00002 57 4ZZ -0.00002 -0.00008 0.00011 0.00016 -0.00010 58 4XY 0.00016 -0.00034 0.00111 -0.00031 0.00020 59 4XZ 0.00008 -0.00007 0.00031 -0.00013 -0.00065 60 4YZ 0.00003 -0.00008 0.00016 -0.00003 0.00041 61 5 C 1S 0.00001 0.00006 0.00071 -0.00059 0.00011 62 2S 0.00010 -0.00044 -0.00177 0.00140 -0.00026 63 2PX -0.00006 -0.00069 -0.00271 0.00110 -0.00187 64 2PY -0.00013 0.00019 0.00026 -0.00279 -0.00095 65 2PZ -0.00024 0.00008 -0.00134 0.00042 0.00769 66 3S -0.00226 0.00247 -0.00664 0.00121 -0.00114 67 3PX -0.00102 0.00054 0.00170 0.00067 -0.00061 68 3PY 0.00089 -0.00095 0.00091 0.00042 -0.00085 69 3PZ -0.00030 0.00025 -0.00057 0.00076 0.00825 70 4XX -0.00024 0.00050 -0.00080 0.00010 -0.00007 71 4YY 0.00009 -0.00018 0.00038 -0.00012 0.00006 72 4ZZ -0.00001 0.00000 -0.00009 0.00000 -0.00006 73 4XY 0.00010 -0.00019 0.00035 0.00019 0.00011 74 4XZ -0.00003 0.00007 -0.00009 0.00001 -0.00019 75 4YZ 0.00003 -0.00011 0.00010 -0.00004 0.00001 76 6 C 1S 0.00097 -0.00219 0.00428 -0.00228 0.00060 77 2S -0.00267 0.00505 -0.01030 0.00510 -0.00134 78 2PX -0.00467 0.01010 -0.01842 0.00846 -0.00214 79 2PY 0.00138 -0.00210 0.00575 -0.00119 0.00121 80 2PZ -0.00066 0.00045 -0.00235 0.00025 -0.00295 81 3S -0.00148 0.00717 -0.02821 0.01506 -0.00561 82 3PX -0.00142 0.00550 -0.01636 0.00947 -0.00313 83 3PY -0.00089 0.00055 0.00035 -0.00146 0.00072 84 3PZ -0.00024 -0.00007 -0.00256 -0.00027 -0.00294 85 4XX 0.00008 -0.00008 0.00008 -0.00016 0.00021 86 4YY 0.00022 -0.00050 0.00101 -0.00030 0.00018 87 4ZZ -0.00006 -0.00006 -0.00003 -0.00006 -0.00023 88 4XY -0.00018 0.00029 -0.00100 0.00041 -0.00009 89 4XZ 0.00003 -0.00006 0.00004 -0.00004 -0.00083 90 4YZ -0.00000 0.00002 -0.00007 0.00005 -0.00004 91 7 C 1S -0.00195 0.00435 -0.00637 0.00498 -0.00044 92 2S 0.00378 -0.00874 0.01275 -0.01066 0.00030 93 2PX 0.00563 -0.01253 0.01572 -0.01044 0.00320 94 2PY -0.00480 0.01039 -0.02141 0.01001 -0.00209 95 2PZ 0.00085 -0.00277 0.00243 -0.00116 -0.01223 96 3S 0.00709 -0.01587 0.03763 -0.03015 0.00453 97 3PX 0.00322 -0.00415 -0.00696 0.00138 -0.00128 98 3PY -0.00386 0.00630 -0.01811 0.01201 -0.00176 99 3PZ 0.00027 -0.00048 -0.00070 0.00251 -0.01139 100 4XX -0.00071 0.00136 -0.00301 0.00149 -0.00062 101 4YY 0.00058 -0.00096 0.00181 -0.00042 0.00021 102 4ZZ -0.00020 0.00036 -0.00047 0.00025 0.00020 103 4XY 0.00075 -0.00143 0.00411 -0.00173 0.00062 104 4XZ -0.00007 0.00017 -0.00028 0.00030 0.00054 105 4YZ 0.00017 -0.00033 0.00092 -0.00035 -0.00001 106 8 H 1S 0.00278 -0.00637 0.01076 -0.00669 0.00101 107 2S 0.00317 -0.00673 0.01958 -0.01010 0.00439 108 9 H 1S 0.00133 -0.00248 0.00621 -0.00182 0.00108 109 2S 0.00283 -0.00495 0.01310 -0.00488 0.00176 110 10 H 1S -0.00076 0.00184 -0.00167 -0.00031 -0.00031 111 2S -0.00169 0.00352 -0.00303 -0.00057 -0.00049 112 11 H 1S 0.00134 -0.00245 0.00653 -0.00137 0.00120 113 2S 0.00297 -0.00513 0.01393 -0.00078 0.00276 114 12 H 1S 0.00347 -0.00703 0.01266 0.00562 0.00320 115 2S 0.00244 -0.00541 0.01961 -0.00566 0.00318 116 13 C 1S 0.00624 -0.01171 -0.02162 -0.01717 0.02290 117 2S -0.01188 0.02046 0.04379 0.03628 -0.04693 118 2PX 0.01992 -0.04131 -0.05283 -0.04939 0.06089 119 2PY 0.01668 -0.03482 -0.05563 -0.02818 0.05315 120 2PZ -0.02061 0.04184 0.05881 0.04972 -0.05545 121 3S 0.00203 0.00434 0.04510 0.02992 -0.05268 122 3PX 0.00156 -0.00754 -0.01618 -0.01335 0.02300 123 3PY 0.00415 -0.01220 -0.02208 -0.02777 0.02046 124 3PZ -0.00377 0.01107 0.02133 0.01783 -0.02315 125 4XX -0.00041 0.00048 -0.00528 0.00068 -0.00095 126 4YY -0.00046 0.00053 0.00136 -0.00394 -0.00143 127 4ZZ -0.00025 0.00004 0.00105 0.00086 0.00599 128 4XY -0.00144 0.00272 0.00093 -0.00078 -0.00307 129 4XZ 0.00223 -0.00420 -0.00233 -0.00370 0.00163 130 4YZ 0.00121 -0.00215 -0.00244 0.00104 0.00012 131 14 C 1S -0.00178 0.00359 0.00698 0.00248 -0.00107 132 2S 0.00336 -0.00726 -0.01496 -0.00576 0.00255 133 2PX -0.00663 0.01604 0.02474 0.01450 -0.01162 134 2PY -0.00268 0.00488 0.00711 -0.00360 -0.00713 135 2PZ 0.00283 -0.00522 -0.00414 -0.00610 -0.00530 136 3S 0.00573 -0.01062 -0.03545 -0.00692 -0.00178 137 3PX -0.00382 0.00874 0.01951 0.01099 -0.00937 138 3PY -0.00156 0.00300 0.00352 -0.00323 -0.00777 139 3PZ 0.00179 -0.00360 -0.00054 -0.00685 -0.00584 140 4XX -0.00035 0.00045 0.00160 0.00089 -0.00102 141 4YY -0.00035 0.00064 0.00071 0.00020 -0.00045 142 4ZZ 0.00011 -0.00022 -0.00053 -0.00056 0.00067 143 4XY -0.00053 0.00105 0.00226 0.00109 -0.00150 144 4XZ 0.00066 -0.00133 -0.00229 -0.00159 0.00126 145 4YZ 0.00022 -0.00053 -0.00089 -0.00011 0.00003 146 15 H 1S -0.00451 0.00927 0.01382 0.00744 -0.00805 147 2S -0.00548 0.01162 0.02441 0.01118 -0.00958 148 16 H 1S 0.00268 -0.00500 -0.00767 -0.00585 0.00021 149 2S 0.00157 -0.00328 -0.00419 -0.00192 0.01055 150 17 H 1S 0.00090 -0.00092 -0.00373 0.00210 0.00266 151 2S 0.00042 -0.00067 -0.00032 -0.00623 0.00190 152 18 H 1S 0.00562 -0.01291 -0.00854 -0.00976 0.02034 153 2S 0.00628 -0.01332 -0.00978 -0.01310 0.03976 154 19 H 1S -0.02616 0.05057 0.03326 0.03500 0.12508 155 2S -0.00297 0.01091 0.02921 0.03613 0.11009 156 20 H 1S -0.02567 0.04932 0.01548 -0.13398 -0.01310 157 2S -0.00149 0.00742 0.01613 -0.12247 -0.01467 6 7 8 9 10 6 3S 0.16506 7 3PX -0.02275 0.05129 8 3PY 0.00099 -0.00167 0.03894 9 3PZ -0.00318 0.00384 -0.00003 0.04022 10 4XX -0.00118 -0.00334 0.00203 -0.00193 0.00084 11 4YY -0.00118 0.00145 -0.00516 -0.00058 -0.00048 12 4ZZ -0.00105 0.00230 0.00210 0.00377 -0.00015 13 4XY -0.00080 0.00138 0.00091 -0.00012 -0.00006 14 4XZ 0.00109 -0.00083 -0.00035 0.00227 -0.00014 15 4YZ 0.00122 -0.00003 -0.00040 0.00180 -0.00001 16 2 C 1S -0.00350 0.00805 -0.00322 0.00301 -0.00334 17 2S 0.00648 -0.01967 0.00568 -0.00594 0.00600 18 2PX 0.09578 -0.07718 0.01931 -0.01576 0.00433 19 2PY -0.02355 0.02850 0.00880 0.00672 -0.00292 20 2PZ 0.01655 -0.02604 0.00508 0.00748 0.00220 21 3S -0.00032 -0.01830 0.01414 -0.00657 0.00677 22 3PX 0.00395 -0.00502 0.00182 -0.00197 0.00052 23 3PY 0.00388 0.00195 -0.00097 0.00037 -0.00064 24 3PZ 0.00155 -0.01001 0.00133 0.00129 0.00134 25 4XX 0.00734 -0.00204 0.00071 -0.00084 0.00001 26 4YY -0.00420 0.00241 -0.00128 0.00033 -0.00019 27 4ZZ -0.00080 0.00076 -0.00004 0.00090 -0.00024 28 4XY -0.00298 0.00137 0.00176 0.00036 0.00008 29 4XZ 0.00155 -0.00037 0.00035 0.00202 -0.00003 30 4YZ -0.00031 0.00031 0.00060 -0.00080 0.00005 31 3 C 1S 0.00773 -0.00371 -0.00140 -0.00060 -0.00041 32 2S -0.01094 0.00605 0.00412 0.00088 0.00089 33 2PX -0.05065 0.02013 -0.00462 0.00152 0.00173 34 2PY -0.00198 0.00994 -0.01141 -0.00093 0.00097 35 2PZ -0.01323 -0.00284 -0.00632 0.00312 0.00164 36 3S -0.02433 0.02186 0.00435 0.00502 -0.00057 37 3PX -0.00781 -0.00207 -0.00629 -0.00207 0.00064 38 3PY -0.00695 0.01222 -0.00817 0.00157 -0.00091 39 3PZ -0.00543 -0.00426 -0.00547 0.00127 0.00084 40 4XX 0.00353 -0.00260 -0.00014 -0.00066 0.00014 41 4YY -0.00372 0.00244 0.00014 0.00052 -0.00010 42 4ZZ 0.00069 -0.00048 0.00006 0.00004 -0.00002 43 4XY -0.00087 0.00033 -0.00037 -0.00010 0.00017 44 4XZ 0.00071 -0.00098 0.00011 0.00006 0.00009 45 4YZ -0.00049 -0.00005 -0.00004 0.00005 0.00007 46 4 C 1S -0.00745 0.00333 -0.00036 0.00062 0.00009 47 2S 0.01572 -0.00782 0.00055 -0.00147 -0.00018 48 2PX 0.04156 -0.01783 0.00557 -0.00322 -0.00047 49 2PY -0.00339 -0.00317 -0.00280 -0.00133 0.00008 50 2PZ 0.00146 0.00124 -0.00404 0.00237 -0.00008 51 3S 0.02184 -0.01934 -0.00406 -0.00519 0.00077 52 3PX 0.02011 -0.01390 -0.00010 -0.00345 0.00031 53 3PY -0.00808 0.00426 0.00079 0.00037 0.00010 54 3PZ -0.00088 0.00156 -0.00329 0.00176 0.00003 55 4XX -0.00009 0.00054 -0.00003 0.00007 -0.00001 56 4YY -0.00118 0.00024 0.00007 0.00007 0.00002 57 4ZZ -0.00046 0.00007 -0.00001 0.00003 0.00003 58 4XY -0.00101 0.00091 -0.00032 0.00014 0.00002 59 4XZ -0.00015 -0.00022 -0.00019 0.00004 0.00006 60 4YZ -0.00021 0.00052 0.00000 -0.00012 -0.00003 61 5 C 1S 0.00220 0.00017 -0.00046 0.00007 -0.00001 62 2S -0.00302 -0.00108 0.00121 -0.00036 0.00009 63 2PX 0.00253 -0.00473 0.00291 -0.00057 0.00036 64 2PY 0.00154 0.00393 0.00450 0.00132 0.00003 65 2PZ -0.00019 0.00872 0.00073 -0.00279 -0.00084 66 3S 0.00304 -0.00547 0.00156 -0.00080 -0.00010 67 3PX 0.00374 -0.00183 0.00111 0.00018 -0.00007 68 3PY -0.00085 0.00201 0.00209 0.00036 0.00005 69 3PZ 0.00004 0.00670 0.00033 -0.00061 -0.00072 70 4XX 0.00177 -0.00083 0.00003 -0.00000 -0.00001 71 4YY -0.00095 0.00049 -0.00014 0.00012 0.00000 72 4ZZ 0.00002 0.00002 0.00005 -0.00013 0.00001 73 4XY -0.00076 0.00034 0.00010 0.00016 0.00002 74 4XZ 0.00038 -0.00007 0.00009 -0.00030 -0.00000 75 4YZ 0.00012 0.00003 0.00030 -0.00040 -0.00001 76 6 C 1S -0.00729 0.00458 -0.00044 0.00081 -0.00011 77 2S 0.01567 -0.00994 0.00184 -0.00157 0.00025 78 2PX 0.03523 -0.02438 -0.00301 -0.00216 0.00037 79 2PY -0.01529 0.00765 -0.00446 0.00220 -0.00009 80 2PZ 0.01002 -0.00064 0.00410 -0.01282 -0.00034 81 3S 0.01865 -0.01847 0.00680 -0.00295 0.00085 82 3PX 0.01664 -0.01448 0.00203 -0.00106 0.00035 83 3PY -0.00234 0.00091 -0.00182 0.00133 -0.00019 84 3PZ 0.00580 -0.00005 0.00324 -0.00893 -0.00041 85 4XX 0.00033 -0.00005 -0.00018 0.00005 -0.00003 86 4YY -0.00176 0.00108 -0.00011 0.00018 -0.00002 87 4ZZ -0.00028 -0.00004 0.00006 -0.00008 0.00003 88 4XY 0.00052 -0.00064 0.00024 -0.00018 0.00004 89 4XZ 0.00042 -0.00061 0.00019 -0.00048 0.00006 90 4YZ -0.00004 -0.00019 0.00001 0.00017 0.00001 91 7 C 1S 0.00694 -0.00504 0.00163 -0.00012 0.00019 92 2S -0.01034 0.00812 -0.00375 -0.00024 -0.00023 93 2PX -0.04366 0.02540 -0.00040 0.00500 -0.00024 94 2PY 0.02938 -0.02588 -0.00233 -0.00562 0.00043 95 2PZ 0.00182 -0.00581 0.00598 -0.01236 0.00117 96 3S -0.02784 0.02415 -0.01032 0.00313 -0.00165 97 3PX -0.00945 0.00120 0.00300 0.00112 -0.00006 98 3PY 0.01771 -0.01491 0.00188 -0.00419 0.00151 99 3PZ 0.00568 -0.00634 0.00570 -0.01016 0.00106 100 4XX 0.00302 -0.00219 0.00065 -0.00054 0.00006 101 4YY -0.00296 0.00187 -0.00022 0.00022 0.00007 102 4ZZ 0.00051 -0.00042 0.00003 0.00018 -0.00001 103 4XY -0.00200 0.00173 -0.00088 0.00016 -0.00016 104 4XZ 0.00031 -0.00051 -0.00001 0.00056 0.00006 105 4YZ -0.00064 0.00100 -0.00016 -0.00021 -0.00008 106 8 H 1S -0.01251 0.00555 -0.00365 -0.00091 -0.00023 107 2S -0.01640 0.01005 -0.00598 0.00211 -0.00118 108 9 H 1S -0.01252 0.00772 -0.00180 0.00152 -0.00019 109 2S -0.01771 0.01224 -0.00282 0.00208 -0.00042 110 10 H 1S 0.00342 -0.00076 -0.00059 0.00019 -0.00014 111 2S 0.01007 -0.00300 -0.00077 -0.00004 -0.00026 112 11 H 1S -0.01164 0.00766 -0.00104 0.00132 0.00012 113 2S -0.01666 0.01153 -0.00121 0.00186 0.00014 114 12 H 1S -0.01759 0.00554 0.00626 0.00231 -0.00046 115 2S -0.01893 0.01091 0.00087 0.00347 -0.00150 116 13 C 1S 0.00223 -0.00415 -0.00414 0.00460 -0.00047 117 2S 0.00045 0.01214 0.01175 -0.01254 0.00077 118 2PX -0.02728 -0.01949 -0.01491 0.02409 0.00532 119 2PY -0.03424 -0.02657 -0.01280 0.03247 -0.00441 120 2PZ 0.04206 0.03147 0.02561 -0.02383 0.00045 121 3S -0.01792 0.00918 0.00777 -0.01255 0.00004 122 3PX -0.00069 -0.00691 -0.00353 0.00725 0.00247 123 3PY -0.01575 -0.00983 -0.01256 0.01716 -0.00440 124 3PZ 0.01017 0.01067 0.00821 -0.00857 -0.00048 125 4XX 0.00205 -0.00227 0.00061 -0.00074 0.00034 126 4YY 0.00056 0.00085 -0.00165 -0.00070 -0.00016 127 4ZZ -0.00098 0.00033 -0.00005 0.00269 -0.00028 128 4XY 0.00328 0.00037 -0.00033 -0.00162 -0.00002 129 4XZ -0.00484 -0.00106 -0.00171 0.00084 0.00004 130 4YZ -0.00157 -0.00112 0.00058 -0.00006 0.00019 131 14 C 1S 0.00262 0.00413 0.00017 0.00032 -0.00109 132 2S -0.00637 -0.00646 -0.00114 -0.00024 0.00197 133 2PX 0.01437 0.01077 0.00286 -0.00766 -0.00484 134 2PY 0.02004 0.00179 -0.00161 -0.00947 -0.00101 135 2PZ -0.02437 0.00053 -0.00539 -0.00244 0.00021 136 3S -0.00347 -0.01386 -0.00006 -0.00317 0.00283 137 3PX 0.00583 0.00723 0.00258 -0.00483 -0.00220 138 3PY 0.01012 0.00064 -0.00132 -0.00624 -0.00045 139 3PZ -0.01295 0.00043 -0.00416 -0.00227 -0.00003 140 4XX 0.00010 0.00058 0.00043 -0.00005 0.00004 141 4YY 0.00081 0.00032 0.00007 -0.00016 -0.00016 142 4ZZ -0.00060 -0.00020 -0.00045 -0.00005 -0.00004 143 4XY 0.00187 0.00102 0.00054 -0.00133 0.00018 144 4XZ -0.00185 -0.00113 -0.00080 0.00064 0.00013 145 4YZ -0.00138 -0.00033 -0.00010 0.00015 0.00010 146 15 H 1S 0.02296 0.00502 0.00385 -0.00824 -0.00100 147 2S 0.02208 0.01022 0.00511 -0.00839 -0.00112 148 16 H 1S -0.01439 -0.00227 -0.00433 -0.00229 0.00045 149 2S -0.01201 -0.00086 -0.00316 0.00205 0.00022 150 17 H 1S -0.00824 -0.00128 0.00062 0.00496 -0.00091 151 2S -0.00900 0.00015 -0.00329 0.00654 -0.00230 152 18 H 1S -0.02561 -0.00960 -0.00958 0.01316 -0.00188 153 2S -0.02256 -0.00634 -0.01017 0.01884 -0.00204 154 19 H 1S 0.04250 0.01810 0.01352 0.05482 -0.00353 155 2S 0.00332 0.01687 0.01395 0.04602 -0.00226 156 20 H 1S 0.04159 0.00971 -0.05883 -0.00283 -0.00492 157 2S -0.00295 0.01143 -0.05206 -0.00181 -0.00483 11 12 13 14 15 11 4YY 0.00146 12 4ZZ -0.00059 0.00104 13 4XY 0.00003 0.00002 0.00035 14 4XZ 0.00005 0.00013 -0.00006 0.00049 15 4YZ -0.00020 0.00023 -0.00011 0.00011 0.00023 16 2 C 1S 0.00133 0.00113 0.00111 -0.00070 0.00008 17 2S -0.00270 -0.00263 -0.00206 0.00132 -0.00007 18 2PX -0.00429 -0.00342 -0.00334 0.00217 0.00013 19 2PY 0.00303 0.00047 -0.00449 -0.00070 -0.00065 20 2PZ -0.00050 -0.00185 -0.00065 -0.00519 0.00073 21 3S -0.00686 0.00023 -0.00275 0.00050 0.00096 22 3PX -0.00015 -0.00074 -0.00056 0.00109 -0.00016 23 3PY -0.00002 0.00060 -0.00117 -0.00017 0.00014 24 3PZ 0.00008 -0.00136 0.00002 -0.00362 0.00021 25 4XX -0.00011 -0.00010 0.00008 -0.00002 -0.00004 26 4YY 0.00034 -0.00002 -0.00002 -0.00006 -0.00001 27 4ZZ 0.00003 0.00022 0.00007 0.00003 0.00005 28 4XY -0.00030 0.00023 0.00029 -0.00002 -0.00002 29 4XZ -0.00020 0.00026 -0.00004 0.00031 0.00014 30 4YZ -0.00007 0.00001 0.00003 -0.00006 0.00002 31 3 C 1S 0.00045 -0.00039 -0.00080 -0.00007 -0.00004 32 2S -0.00098 0.00075 0.00164 0.00014 0.00008 33 2PX -0.00139 0.00103 0.00294 0.00119 0.00034 34 2PY -0.00052 0.00044 0.00189 0.00064 0.00002 35 2PZ 0.00045 -0.00171 0.00105 -0.00387 -0.00047 36 3S -0.00079 0.00215 0.00247 -0.00014 0.00003 37 3PX -0.00011 -0.00028 0.00116 0.00078 0.00021 38 3PY 0.00146 -0.00001 0.00092 0.00038 -0.00026 39 3PZ 0.00094 -0.00165 0.00067 -0.00276 -0.00052 40 4XX -0.00008 -0.00015 -0.00009 0.00009 -0.00000 41 4YY 0.00011 0.00008 -0.00001 -0.00001 -0.00002 42 4ZZ 0.00001 -0.00002 -0.00005 -0.00007 0.00001 43 4XY -0.00011 -0.00001 0.00007 0.00008 0.00001 44 4XZ -0.00001 -0.00007 0.00001 -0.00013 0.00003 45 4YZ 0.00000 -0.00005 0.00003 -0.00015 0.00000 46 4 C 1S -0.00008 0.00012 0.00031 0.00004 0.00003 47 2S 0.00007 -0.00033 -0.00068 -0.00005 -0.00005 48 2PX 0.00023 -0.00049 -0.00120 -0.00025 -0.00006 49 2PY 0.00001 -0.00003 0.00016 0.00003 0.00008 50 2PZ -0.00015 0.00018 -0.00023 0.00052 -0.00037 51 3S 0.00022 -0.00159 -0.00088 0.00018 0.00003 52 3PX 0.00013 -0.00085 -0.00053 -0.00003 0.00007 53 3PY -0.00032 0.00039 0.00025 -0.00011 0.00008 54 3PZ -0.00028 0.00023 -0.00016 0.00062 -0.00021 55 4XX -0.00002 0.00006 0.00006 0.00006 0.00000 56 4YY -0.00000 -0.00001 0.00001 -0.00001 0.00000 57 4ZZ -0.00001 -0.00001 0.00002 -0.00004 -0.00000 58 4XY -0.00001 0.00002 0.00009 0.00000 0.00000 59 4XZ 0.00003 -0.00009 0.00004 -0.00019 -0.00002 60 4YZ -0.00002 0.00006 0.00000 0.00013 0.00001 61 5 C 1S 0.00009 0.00003 0.00001 0.00000 -0.00004 62 2S -0.00019 -0.00008 -0.00003 -0.00000 0.00008 63 2PX -0.00013 -0.00040 -0.00000 -0.00048 0.00006 64 2PY -0.00001 -0.00003 0.00003 -0.00031 -0.00000 65 2PZ -0.00045 0.00131 -0.00024 0.00296 0.00006 66 3S 0.00011 -0.00035 0.00006 0.00010 0.00002 67 3PX 0.00009 -0.00010 0.00011 -0.00041 -0.00002 68 3PY 0.00008 -0.00014 0.00010 -0.00020 -0.00006 69 3PZ -0.00045 0.00120 -0.00020 0.00240 0.00011 70 4XX -0.00002 0.00000 0.00002 0.00001 -0.00001 71 4YY 0.00002 -0.00000 -0.00002 -0.00000 -0.00000 72 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 73 4XY -0.00003 0.00002 0.00005 0.00001 0.00000 74 4XZ 0.00000 -0.00001 0.00001 -0.00001 -0.00000 75 4YZ 0.00001 -0.00001 0.00001 0.00000 0.00002 76 6 C 1S 0.00027 -0.00002 -0.00026 -0.00006 0.00000 77 2S -0.00073 -0.00001 0.00051 0.00014 -0.00000 78 2PX -0.00110 0.00009 0.00095 0.00017 -0.00004 79 2PY 0.00034 0.00002 -0.00034 -0.00008 -0.00002 80 2PZ 0.00016 -0.00004 0.00019 0.00060 0.00010 81 3S -0.00088 -0.00077 0.00027 0.00028 -0.00029 82 3PX -0.00035 -0.00050 0.00036 0.00010 -0.00023 83 3PY 0.00053 -0.00027 0.00020 0.00011 -0.00014 84 3PZ 0.00052 -0.00025 0.00018 0.00069 -0.00009 85 4XX -0.00000 0.00004 0.00000 0.00006 0.00000 86 4YY 0.00007 -0.00000 -0.00006 -0.00001 -0.00001 87 4ZZ 0.00001 -0.00003 -0.00001 -0.00007 0.00000 88 4XY -0.00010 0.00001 0.00007 0.00003 0.00003 89 4XZ 0.00003 -0.00010 0.00003 -0.00022 -0.00000 90 4YZ -0.00001 -0.00001 0.00001 -0.00003 0.00000 91 7 C 1S -0.00055 0.00011 0.00075 0.00016 0.00004 92 2S 0.00118 -0.00024 -0.00157 -0.00033 -0.00001 93 2PX 0.00133 -0.00017 -0.00206 0.00031 0.00008 94 2PY -0.00248 0.00053 0.00316 0.00056 0.00067 95 2PZ 0.00042 -0.00175 0.00016 -0.00402 0.00028 96 3S 0.00301 -0.00011 -0.00139 -0.00040 -0.00000 97 3PX 0.00068 -0.00061 -0.00098 0.00035 -0.00023 98 3PY -0.00367 0.00136 0.00022 -0.00011 0.00096 99 3PZ -0.00026 -0.00111 -0.00003 -0.00291 0.00026 100 4XX -0.00013 -0.00004 0.00007 0.00006 -0.00001 101 4YY 0.00004 -0.00001 -0.00004 -0.00003 0.00000 102 4ZZ -0.00006 0.00004 0.00006 0.00001 0.00002 103 4XY 0.00012 0.00008 0.00018 -0.00007 0.00003 104 4XZ -0.00008 0.00002 -0.00000 -0.00008 0.00003 105 4YZ 0.00002 0.00007 0.00001 0.00020 -0.00001 106 8 H 1S 0.00034 0.00001 0.00049 -0.00013 0.00029 107 2S 0.00207 -0.00052 0.00182 0.00031 -0.00029 108 9 H 1S 0.00045 -0.00004 -0.00038 -0.00005 -0.00007 109 2S 0.00080 0.00005 -0.00068 -0.00018 -0.00006 110 10 H 1S 0.00002 0.00004 0.00001 -0.00001 -0.00003 111 2S 0.00011 0.00003 0.00003 0.00001 -0.00009 112 11 H 1S -0.00006 0.00015 0.00044 0.00003 0.00001 113 2S -0.00016 0.00041 0.00086 0.00003 0.00004 114 12 H 1S 0.00030 0.00033 -0.00004 -0.00014 0.00000 115 2S 0.00203 -0.00020 -0.00043 -0.00011 -0.00029 116 13 C 1S -0.00012 -0.00029 -0.00178 0.00211 0.00167 117 2S -0.00019 0.00010 0.00341 -0.00412 -0.00309 118 2PX -0.00209 -0.00067 -0.00218 0.00128 0.00362 119 2PY 0.01298 -0.00585 0.00336 0.00542 -0.00369 120 2PZ 0.00330 -0.00645 0.00448 -0.00080 -0.00195 121 3S 0.00232 -0.00141 0.00433 -0.00498 -0.00402 122 3PX -0.00262 0.00078 -0.00116 -0.00017 0.00200 123 3PY 0.01205 -0.00602 0.00333 0.00378 -0.00357 124 3PZ 0.00323 -0.00366 0.00270 0.00015 -0.00153 125 4XX -0.00017 -0.00025 -0.00012 0.00012 0.00008 126 4YY 0.00034 -0.00020 -0.00004 -0.00000 0.00001 127 4ZZ -0.00022 0.00060 -0.00006 0.00012 0.00010 128 4XY 0.00002 -0.00014 -0.00001 -0.00008 -0.00001 129 4XZ 0.00014 0.00004 -0.00008 0.00003 0.00000 130 4YZ -0.00010 -0.00006 -0.00002 0.00003 0.00001 131 14 C 1S 0.00010 0.00045 0.00005 0.00001 -0.00016 132 2S -0.00031 -0.00094 -0.00007 -0.00003 0.00033 133 2PX 0.00077 0.00228 -0.00063 0.00072 -0.00072 134 2PY -0.00004 0.00013 -0.00002 0.00004 0.00017 135 2PZ 0.00023 -0.00006 0.00007 0.00018 -0.00027 136 3S -0.00073 -0.00169 -0.00093 0.00085 0.00055 137 3PX 0.00020 0.00121 0.00013 -0.00038 -0.00054 138 3PY 0.00024 -0.00027 0.00002 -0.00018 -0.00004 139 3PZ 0.00073 -0.00043 0.00014 -0.00016 -0.00032 140 4XX 0.00013 -0.00013 0.00017 -0.00010 -0.00011 141 4YY 0.00010 0.00001 -0.00002 0.00003 -0.00003 142 4ZZ -0.00017 0.00020 -0.00011 0.00003 0.00007 143 4XY -0.00058 0.00029 -0.00014 -0.00021 0.00019 144 4XZ -0.00013 0.00012 -0.00010 -0.00001 0.00006 145 4YZ -0.00007 0.00001 -0.00003 -0.00002 0.00001 146 15 H 1S -0.00079 0.00072 -0.00027 -0.00022 0.00027 147 2S -0.00133 0.00124 -0.00017 -0.00061 0.00036 148 16 H 1S -0.00096 0.00078 -0.00056 0.00013 0.00032 149 2S -0.00248 0.00247 -0.00101 0.00016 0.00087 150 17 H 1S 0.00203 -0.00076 0.00036 0.00066 -0.00081 151 2S 0.00489 -0.00208 0.00115 0.00111 -0.00167 152 18 H 1S -0.00019 0.00387 -0.00048 -0.00039 -0.00083 153 2S -0.00095 0.00448 -0.00105 0.00112 0.00040 154 19 H 1S -0.00440 0.00808 0.00030 0.00339 0.00328 155 2S -0.00573 0.00867 -0.00004 0.00292 0.00311 156 20 H 1S 0.01035 -0.00489 -0.00129 0.00049 0.00010 157 2S 0.01200 -0.00577 -0.00063 0.00047 -0.00107 16 17 18 19 20 16 2 C 1S 1.02643 17 2S -0.03257 0.16841 18 2PX 0.00099 -0.00132 0.20867 19 2PY -0.00022 0.00023 0.00120 0.21414 20 2PZ 0.00029 -0.00038 0.00609 0.00318 0.16782 21 3S -0.08441 0.13010 0.01299 0.00327 -0.00596 22 3PX -0.00269 0.01162 0.02933 0.00696 -0.01806 23 3PY -0.00054 -0.00096 0.00391 0.03346 0.00145 24 3PZ -0.00035 0.00214 -0.01207 -0.00350 0.10039 25 4XX -0.00840 -0.00188 0.00470 -0.00378 0.00139 26 4YY -0.00809 -0.00210 -0.00406 0.00413 -0.00046 27 4ZZ -0.00573 -0.00753 0.00043 -0.00029 -0.00108 28 4XY 0.00012 -0.00013 -0.00400 -0.00687 -0.00104 29 4XZ -0.00055 0.00112 0.00130 -0.00094 -0.00379 30 4YZ -0.00020 0.00050 -0.00101 -0.00084 0.00052 31 3 C 1S 0.00861 -0.01717 0.02623 0.02991 0.00658 32 2S -0.01707 0.02971 -0.05069 -0.06168 -0.01309 33 2PX -0.02647 0.05535 -0.06217 -0.08289 -0.03449 34 2PY -0.02868 0.05767 -0.07977 -0.08138 -0.02704 35 2PZ -0.00644 0.01360 -0.03553 -0.02783 0.09992 36 3S -0.00077 0.01438 -0.07360 -0.05862 -0.01463 37 3PX -0.00382 0.01015 -0.00676 -0.05185 -0.01534 38 3PY -0.00351 0.01484 -0.03960 -0.01663 -0.01319 39 3PZ -0.00079 0.00259 -0.01844 -0.01561 0.07117 40 4XX -0.00069 0.00064 0.00541 -0.00204 -0.00042 41 4YY -0.00110 0.00151 -0.00381 0.00491 -0.00086 42 4ZZ 0.00087 -0.00199 0.00214 0.00193 0.00238 43 4XY -0.00280 0.00548 -0.00299 -0.00422 -0.00186 44 4XZ -0.00052 0.00094 -0.00052 -0.00152 0.00409 45 4YZ -0.00066 0.00125 -0.00186 -0.00085 0.00406 46 4 C 1S -0.00166 0.00427 -0.00661 -0.00341 -0.00132 47 2S 0.00418 -0.00948 0.01639 0.00913 0.00349 48 2PX 0.00755 -0.01884 0.02267 0.01195 0.00616 49 2PY 0.00128 -0.00215 0.00133 0.00427 0.00132 50 2PZ 0.00114 -0.00307 0.00642 0.00303 -0.00768 51 3S -0.00062 -0.00562 0.03802 -0.01130 0.00637 52 3PX 0.00210 -0.00751 0.02180 -0.00615 0.00556 53 3PY -0.00347 0.00371 -0.01159 -0.00095 -0.00151 54 3PZ -0.00010 -0.00068 0.00646 0.00007 -0.01322 55 4XX -0.00054 0.00116 -0.00255 -0.00228 -0.00205 56 4YY 0.00020 -0.00023 0.00065 0.00056 0.00053 57 4ZZ -0.00002 0.00019 -0.00020 -0.00021 0.00106 58 4XY -0.00084 0.00181 -0.00306 -0.00291 -0.00059 59 4XZ -0.00016 0.00034 -0.00162 -0.00100 0.00446 60 4YZ -0.00013 0.00028 0.00004 -0.00024 -0.00290 61 5 C 1S -0.00169 0.00278 -0.00418 0.00095 -0.00060 62 2S 0.00289 -0.00576 0.00944 -0.00222 0.00144 63 2PX 0.00390 -0.00779 0.00990 -0.00696 0.01258 64 2PY -0.00087 0.00168 -0.00662 -0.01561 0.00256 65 2PZ 0.00046 -0.00122 0.01335 0.00252 -0.06495 66 3S 0.01174 -0.01632 0.02171 -0.00471 0.00284 67 3PX 0.00533 -0.00708 0.00090 -0.00242 0.00871 68 3PY -0.00093 0.00104 -0.00433 -0.00868 0.00273 69 3PZ 0.00068 -0.00108 0.00990 0.00280 -0.05345 70 4XX 0.00011 -0.00041 0.00013 -0.00049 -0.00013 71 4YY -0.00016 0.00042 -0.00016 0.00054 0.00002 72 4ZZ -0.00020 0.00024 -0.00007 -0.00005 0.00012 73 4XY -0.00007 0.00022 -0.00036 -0.00120 -0.00019 74 4XZ 0.00006 -0.00013 -0.00009 -0.00021 0.00038 75 4YZ 0.00001 0.00002 -0.00012 -0.00015 -0.00009 76 6 C 1S -0.00167 0.00429 -0.00462 0.00591 -0.00039 77 2S 0.00416 -0.00941 0.01168 -0.01520 0.00078 78 2PX 0.00631 -0.01620 0.01479 -0.01722 0.00275 79 2PY -0.00434 0.01000 -0.00667 0.01303 0.00031 80 2PZ 0.00103 -0.00251 0.00230 -0.00129 -0.00747 81 3S -0.00006 -0.00717 0.03446 -0.00839 0.00809 82 3PX 0.00391 -0.00980 0.01984 -0.00663 0.00617 83 3PY 0.00252 -0.00044 -0.00081 -0.00277 -0.00046 84 3PZ 0.00113 -0.00226 0.00394 -0.00021 -0.01132 85 4XX 0.00010 -0.00022 -0.00008 0.00029 -0.00156 86 4YY -0.00049 0.00124 -0.00098 0.00254 -0.00004 87 4ZZ 0.00003 0.00010 -0.00009 -0.00024 0.00165 88 4XY 0.00088 -0.00180 0.00216 -0.00449 -0.00048 89 4XZ 0.00009 -0.00021 -0.00092 -0.00065 0.00525 90 4YZ 0.00011 -0.00021 0.00018 -0.00058 0.00042 91 7 C 1S 0.00854 -0.01695 0.01214 -0.03813 -0.00065 92 2S -0.01696 0.02946 -0.02193 0.07718 0.00208 93 2PX -0.01291 0.02787 -0.00435 0.05346 -0.01517 94 2PY 0.03699 -0.07554 0.05119 -0.14376 -0.00927 95 2PZ 0.00059 -0.00072 -0.01596 -0.00890 0.10288 96 3S -0.00000 0.01384 -0.04068 0.08567 -0.00664 97 3PX -0.00103 0.00094 0.01937 0.03262 -0.00432 98 3PY 0.00351 -0.01570 0.02783 -0.05324 -0.00284 99 3PZ 0.00010 -0.00077 -0.00660 -0.00388 0.07074 100 4XX 0.00105 -0.00265 0.00481 -0.00383 -0.00015 101 4YY -0.00293 0.00511 -0.00455 0.00112 0.00002 102 4ZZ 0.00101 -0.00224 0.00137 -0.00324 -0.00008 103 4XY 0.00173 -0.00337 -0.00402 -0.00469 -0.00010 104 4XZ 0.00009 -0.00025 0.00018 -0.00064 0.00210 105 4YZ -0.00003 0.00004 -0.00011 0.00002 -0.00597 106 8 H 1S 0.00587 -0.01303 -0.00158 -0.02441 -0.00223 107 2S 0.00861 -0.01639 -0.02012 -0.04756 -0.00634 108 9 H 1S -0.00405 0.00903 -0.00684 0.01650 0.00004 109 2S -0.00616 0.01269 -0.01460 0.03069 0.00004 110 10 H 1S -0.00033 0.00047 -0.00227 0.00060 -0.00034 111 2S 0.00068 -0.00122 -0.00293 0.00105 -0.00058 112 11 H 1S -0.00406 0.00899 -0.01258 -0.01207 -0.00299 113 2S -0.00617 0.01268 -0.02504 -0.02185 -0.00604 114 12 H 1S 0.00605 -0.01336 0.00749 0.02337 0.00297 115 2S 0.00827 -0.01579 0.00333 0.05242 0.00408 116 13 C 1S -0.00178 0.00368 0.00680 0.00107 -0.00299 117 2S 0.00335 -0.00732 -0.01470 -0.00225 0.00545 118 2PX -0.00631 0.01560 0.02414 0.00160 -0.00091 119 2PY 0.00378 -0.00342 -0.00567 -0.00115 -0.00303 120 2PZ 0.00304 -0.00388 -0.01253 -0.00059 -0.00633 121 3S 0.00636 -0.01267 -0.03612 -0.01383 0.03731 122 3PX -0.00648 0.00960 0.00846 -0.00665 0.00897 123 3PY 0.00442 -0.00670 -0.01428 0.00161 -0.00788 124 3PZ 0.00218 -0.00276 -0.01252 -0.01140 -0.00248 125 4XX -0.00114 0.00236 0.00539 -0.00051 -0.00073 126 4YY 0.00022 -0.00050 -0.00158 0.00049 -0.00001 127 4ZZ 0.00039 -0.00095 -0.00207 -0.00019 0.00029 128 4XY -0.00011 0.00021 0.00082 -0.00025 -0.00003 129 4XZ 0.00002 -0.00012 -0.00096 0.00020 -0.00004 130 4YZ -0.00037 0.00067 0.00136 -0.00034 0.00004 131 14 C 1S 0.00109 -0.00287 -0.00570 0.00036 0.00032 132 2S -0.00282 0.00605 0.01123 -0.00137 0.00044 133 2PX 0.00465 -0.01189 -0.02122 0.00104 0.00054 134 2PY 0.00072 -0.00157 -0.00369 0.00142 -0.00050 135 2PZ -0.00010 -0.00042 -0.00020 -0.00024 0.00299 136 3S -0.00249 0.00984 0.03475 0.00698 -0.01387 137 3PX 0.00173 -0.00626 -0.01757 -0.00369 0.00874 138 3PY 0.00042 -0.00082 -0.00172 0.00077 0.00211 139 3PZ 0.00016 -0.00085 -0.00353 0.00074 0.00544 140 4XX 0.00021 -0.00031 -0.00073 0.00021 -0.00008 141 4YY 0.00006 -0.00029 -0.00065 0.00006 -0.00004 142 4ZZ -0.00013 0.00002 0.00016 -0.00001 0.00015 143 4XY -0.00016 0.00017 0.00013 0.00017 0.00003 144 4XZ -0.00020 0.00044 0.00115 -0.00008 0.00026 145 4YZ -0.00015 0.00026 0.00063 -0.00011 0.00021 146 15 H 1S 0.00078 -0.00220 -0.00532 0.00092 -0.00154 147 2S 0.00163 -0.00412 -0.01180 0.00113 -0.00066 148 16 H 1S -0.00105 0.00131 0.00404 -0.00015 0.00185 149 2S -0.00102 0.00051 0.00271 -0.00113 -0.00110 150 17 H 1S 0.00092 -0.00181 -0.00269 -0.00086 -0.00029 151 2S 0.00304 -0.00545 -0.01151 0.00088 0.00007 152 18 H 1S 0.00188 -0.00579 -0.00986 -0.00029 0.00453 153 2S 0.00167 -0.00468 -0.00949 -0.00385 -0.00894 154 19 H 1S 0.00334 -0.00989 -0.01325 -0.00071 -0.00678 155 2S 0.00483 -0.01158 -0.02257 -0.00537 -0.02065 156 20 H 1S 0.00544 -0.01106 -0.01531 0.01246 -0.00146 157 2S 0.00787 -0.01507 -0.03266 0.03146 0.00045 21 22 23 24 25 21 3S 0.14002 22 3PX 0.00725 0.01304 23 3PY 0.00314 0.00037 0.01226 24 3PZ -0.00342 -0.01234 -0.00013 0.06237 25 4XX -0.00075 -0.00060 -0.00016 0.00045 0.00067 26 4YY -0.00276 0.00006 0.00033 0.00000 -0.00031 27 4ZZ -0.00490 -0.00027 -0.00004 -0.00082 0.00009 28 4XY -0.00024 -0.00021 -0.00123 -0.00007 -0.00001 29 4XZ 0.00144 0.00042 -0.00005 -0.00257 0.00002 30 4YZ 0.00024 -0.00031 -0.00024 0.00049 -0.00006 31 3 C 1S 0.00245 0.00026 0.00302 0.00041 -0.00060 32 2S 0.01143 -0.01198 -0.00844 -0.00297 0.00080 33 2PX 0.02761 0.01237 -0.02079 -0.01104 -0.00578 34 2PY 0.05535 -0.01571 -0.00835 -0.00814 0.00255 35 2PZ 0.00466 -0.01039 -0.00408 0.06325 0.00058 36 3S -0.00413 -0.00970 -0.00436 -0.00138 -0.00045 37 3PX -0.00153 0.00496 -0.00927 -0.00639 -0.00122 38 3PY 0.00598 -0.00289 -0.00075 -0.00399 -0.00003 39 3PZ -0.00460 -0.00727 -0.00173 0.04485 0.00076 40 4XX 0.00158 0.00038 -0.00012 -0.00070 0.00031 41 4YY -0.00048 0.00067 0.00056 -0.00022 -0.00044 42 4ZZ -0.00094 0.00020 0.00022 0.00128 0.00001 43 4XY 0.00548 -0.00005 -0.00134 -0.00077 -0.00005 44 4XZ 0.00041 -0.00082 -0.00027 0.00270 0.00005 45 4YZ 0.00075 -0.00061 -0.00025 0.00258 -0.00001 46 4 C 1S -0.00341 0.00459 -0.00279 0.00052 -0.00098 47 2S -0.00286 -0.00375 0.00687 0.00005 0.00212 48 2PX -0.01552 -0.01565 0.01144 0.00044 0.00540 49 2PY -0.02778 0.00968 0.02173 0.00381 -0.00081 50 2PZ 0.00161 0.00409 0.00463 -0.01002 0.00168 51 3S 0.00279 0.00030 0.00291 0.00120 0.00241 52 3PX -0.00775 -0.00405 0.00016 0.00165 0.00202 53 3PY -0.00285 0.00212 0.00574 0.00126 -0.00063 54 3PZ 0.00411 0.00476 0.00151 -0.01152 0.00079 55 4XX 0.00166 -0.00084 -0.00053 -0.00110 0.00010 56 4YY -0.00112 0.00083 -0.00051 0.00037 -0.00021 57 4ZZ 0.00014 0.00012 -0.00013 0.00068 -0.00006 58 4XY 0.00225 -0.00055 -0.00160 -0.00009 -0.00005 59 4XZ 0.00022 -0.00084 -0.00021 0.00286 0.00008 60 4YZ 0.00051 0.00038 -0.00033 -0.00198 -0.00003 61 5 C 1S 0.01372 -0.00728 0.00165 -0.00112 0.00016 62 2S -0.01966 0.00936 -0.00212 0.00149 -0.00054 63 2PX -0.02903 0.00086 -0.00554 0.00811 -0.00032 64 2PY 0.00805 -0.00623 -0.02485 0.00104 0.00068 65 2PZ 0.00215 0.01106 -0.00302 -0.04676 0.00007 66 3S -0.03190 0.00962 -0.00254 0.00121 -0.00024 67 3PX -0.01248 -0.00292 -0.00114 0.00560 0.00032 68 3PY 0.00206 -0.00172 -0.00815 0.00222 0.00038 69 3PZ 0.00359 0.00836 -0.00077 -0.03747 0.00003 70 4XX 0.00028 -0.00098 -0.00023 -0.00022 0.00022 71 4YY 0.00066 0.00048 0.00043 0.00011 -0.00009 72 4ZZ 0.00067 -0.00021 -0.00004 0.00002 -0.00001 73 4XY 0.00014 0.00007 -0.00135 -0.00012 -0.00011 74 4XZ -0.00015 -0.00021 -0.00021 0.00006 0.00005 75 4YZ -0.00030 -0.00015 -0.00030 0.00002 -0.00006 76 6 C 1S -0.00268 0.00574 0.00007 0.00106 -0.00059 77 2S -0.00390 -0.00689 -0.00372 -0.00169 0.00139 78 2PX -0.00667 -0.01870 0.00812 -0.00177 0.00318 79 2PY 0.03007 0.00705 0.02295 0.00333 -0.00098 80 2PZ -0.00267 -0.00345 0.00045 -0.00886 0.00043 81 3S -0.00084 -0.00226 -0.00314 0.00118 0.00143 82 3PX -0.00925 -0.00374 0.00374 0.00195 0.00162 83 3PY 0.00339 0.00161 0.00465 0.00062 0.00006 84 3PZ -0.00550 -0.00026 -0.00101 -0.00958 0.00019 85 4XX -0.00013 -0.00030 -0.00024 -0.00110 0.00001 86 4YY 0.00095 0.00091 0.00128 0.00019 -0.00016 87 4ZZ -0.00006 0.00003 -0.00013 0.00113 -0.00003 88 4XY -0.00249 0.00067 -0.00150 -0.00034 0.00005 89 4XZ -0.00080 -0.00101 -0.00025 0.00337 0.00003 90 4YZ -0.00043 0.00005 -0.00011 0.00045 -0.00001 91 7 C 1S 0.00169 -0.00186 -0.00283 -0.00050 0.00110 92 2S 0.01300 -0.00602 0.01274 0.00020 -0.00260 93 2PX 0.01064 0.02698 0.00510 -0.00559 -0.00504 94 2PY -0.06307 0.00029 -0.01871 -0.00623 0.00331 95 2PZ -0.01176 -0.01331 -0.00335 0.06411 -0.00016 96 3S -0.00336 -0.00300 0.00687 -0.00356 -0.00404 97 3PX -0.00530 0.01081 0.00377 -0.00370 -0.00135 98 3PY 0.00292 -0.00153 -0.00141 -0.00276 0.00159 99 3PZ -0.00503 -0.01066 -0.00109 0.04391 0.00015 100 4XX -0.00231 0.00003 -0.00085 -0.00052 0.00025 101 4YY 0.00369 0.00050 0.00020 0.00056 -0.00025 102 4ZZ -0.00107 0.00027 -0.00047 -0.00001 0.00012 103 4XY -0.00456 -0.00047 -0.00137 0.00038 -0.00011 104 4XZ -0.00020 -0.00033 -0.00006 0.00137 0.00002 105 4YZ -0.00009 0.00075 -0.00014 -0.00360 -0.00009 106 8 H 1S -0.02580 0.00601 -0.00550 0.00078 -0.00166 107 2S -0.03704 0.00472 -0.01285 0.00017 -0.00108 108 9 H 1S 0.01906 0.00532 0.01362 0.00188 -0.00096 109 2S 0.01827 0.00626 0.01651 0.00247 -0.00153 110 10 H 1S 0.00872 -0.00133 0.00020 -0.00026 0.00075 111 2S 0.01012 -0.00641 0.00152 -0.00116 0.00156 112 11 H 1S 0.01958 -0.00113 -0.01533 -0.00129 -0.00122 113 2S 0.01831 -0.00163 -0.01823 -0.00180 -0.00157 114 12 H 1S -0.02764 0.00736 0.00126 0.00119 -0.00281 115 2S -0.03212 0.00930 0.00643 0.00174 -0.00327 116 13 C 1S 0.00618 0.00190 0.00113 -0.00357 -0.00060 117 2S -0.01192 -0.00388 -0.00540 0.00743 0.00118 118 2PX 0.03830 0.00314 -0.00492 -0.00467 -0.00263 119 2PY -0.07540 0.00553 -0.01586 -0.00494 0.00005 120 2PZ -0.03092 0.00396 -0.01463 0.00110 0.00254 121 3S -0.03123 -0.00933 -0.00844 0.02929 0.00097 122 3PX 0.02441 -0.00151 -0.00022 0.00423 -0.00083 123 3PY -0.07060 0.00485 -0.01323 -0.00530 0.00059 124 3PZ -0.02572 0.00162 -0.00917 0.00145 0.00105 125 4XX 0.00273 0.00094 -0.00011 -0.00080 0.00008 126 4YY -0.00131 -0.00014 0.00015 0.00018 -0.00002 127 4ZZ -0.00016 -0.00049 0.00057 -0.00004 -0.00007 128 4XY 0.00021 -0.00010 0.00014 0.00006 0.00011 129 4XZ 0.00030 -0.00007 -0.00012 -0.00006 -0.00019 130 4YZ 0.00102 0.00019 -0.00025 -0.00007 -0.00004 131 14 C 1S -0.00369 0.00009 0.00081 0.00064 0.00016 132 2S 0.00951 0.00310 -0.00213 -0.00045 -0.00029 133 2PX -0.02064 -0.00320 0.01102 0.00157 0.00082 134 2PY -0.00268 -0.00686 0.00201 -0.00055 -0.00000 135 2PZ 0.00475 0.00469 -0.00561 0.00189 -0.00006 136 3S 0.01808 0.00793 -0.00117 -0.01125 -0.00015 137 3PX -0.01110 -0.00379 0.00450 0.00696 0.00043 138 3PY -0.00218 -0.00345 0.00086 0.00143 0.00008 139 3PZ -0.00080 0.00122 -0.00285 0.00378 -0.00004 140 4XX -0.00115 -0.00011 -0.00047 0.00010 0.00003 141 4YY -0.00098 -0.00005 0.00042 0.00004 0.00003 142 4ZZ 0.00118 -0.00007 0.00028 -0.00001 -0.00003 143 4XY 0.00328 -0.00058 0.00068 0.00008 -0.00004 144 4XZ 0.00162 0.00014 0.00002 0.00000 -0.00007 145 4YZ 0.00088 0.00033 -0.00020 0.00010 -0.00001 146 15 H 1S -0.00202 -0.00518 0.00599 -0.00055 0.00019 147 2S -0.00112 -0.00607 0.00597 0.00070 0.00015 148 16 H 1S 0.01084 0.00242 -0.00122 0.00047 -0.00026 149 2S 0.01655 0.00111 0.00132 -0.00177 -0.00047 150 17 H 1S -0.01355 0.00421 0.00005 0.00017 0.00033 151 2S -0.03147 0.00348 -0.00243 0.00097 0.00048 152 18 H 1S -0.00360 -0.00398 0.00537 0.00178 -0.00074 153 2S 0.00161 -0.00163 0.00545 -0.00726 -0.00113 154 19 H 1S -0.00228 -0.00187 0.00249 -0.00974 0.00050 155 2S 0.00726 -0.00250 0.00247 -0.01653 -0.00102 156 20 H 1S -0.03877 0.00028 0.00322 0.00047 0.00034 157 2S -0.05073 0.00037 0.00173 0.00295 -0.00125 26 27 28 29 30 26 4YY 0.00060 27 4ZZ 0.00011 0.00044 28 4XY -0.00005 0.00002 0.00068 29 4XZ -0.00010 0.00005 0.00003 0.00032 30 4YZ -0.00002 0.00003 0.00005 0.00003 0.00036 31 3 C 1S -0.00101 0.00082 -0.00291 -0.00053 -0.00065 32 2S 0.00111 -0.00189 0.00578 0.00104 0.00125 33 2PX 0.00237 -0.00145 0.00299 0.00031 0.00162 34 2PY -0.00505 -0.00208 0.00384 0.00158 0.00072 35 2PZ 0.00072 -0.00250 0.00186 -0.00453 -0.00432 36 3S 0.00188 -0.00112 0.00644 0.00061 0.00119 37 3PX 0.00037 -0.00008 0.00137 0.00040 0.00087 38 3PY -0.00088 -0.00053 0.00104 0.00028 0.00025 39 3PZ 0.00054 -0.00155 0.00108 -0.00320 -0.00326 40 4XX -0.00029 -0.00002 -0.00006 0.00006 -0.00008 41 4YY 0.00043 -0.00007 -0.00008 -0.00006 0.00002 42 4ZZ -0.00009 0.00012 -0.00022 -0.00006 0.00000 43 4XY -0.00018 -0.00019 0.00012 0.00006 0.00001 44 4XZ -0.00008 -0.00003 0.00001 0.00000 0.00018 45 4YZ 0.00001 -0.00009 0.00004 -0.00013 0.00002 46 4 C 1S 0.00059 0.00002 -0.00014 -0.00020 0.00002 47 2S -0.00115 0.00011 0.00019 0.00040 -0.00006 48 2PX -0.00242 0.00028 0.00107 0.00151 0.00088 49 2PY 0.00051 0.00010 -0.00008 0.00002 0.00041 50 2PZ 0.00028 -0.00125 0.00122 -0.00186 -0.00487 51 3S -0.00206 0.00018 0.00016 0.00037 -0.00007 52 3PX -0.00113 0.00025 -0.00012 0.00056 0.00055 53 3PY 0.00011 -0.00001 0.00060 0.00010 0.00043 54 3PZ 0.00028 -0.00080 0.00076 -0.00108 -0.00356 55 4XX -0.00006 -0.00004 0.00018 0.00010 0.00008 56 4YY 0.00013 0.00002 -0.00009 -0.00006 -0.00001 57 4ZZ 0.00004 -0.00001 -0.00002 -0.00007 -0.00004 58 4XY -0.00011 -0.00005 0.00008 0.00001 0.00001 59 4XZ -0.00000 -0.00009 0.00008 -0.00016 -0.00013 60 4YZ -0.00002 0.00001 -0.00000 0.00004 0.00006 61 5 C 1S -0.00013 -0.00021 -0.00009 0.00006 -0.00001 62 2S 0.00039 0.00026 0.00028 -0.00012 0.00007 63 2PX 0.00018 0.00014 0.00050 -0.00008 0.00009 64 2PY -0.00063 -0.00000 0.00140 0.00022 0.00018 65 2PZ -0.00007 0.00017 0.00023 0.00030 0.00009 66 3S 0.00092 0.00057 0.00031 -0.00014 0.00005 67 3PX 0.00002 0.00013 0.00022 -0.00003 0.00000 68 3PY -0.00045 0.00000 0.00122 0.00011 0.00020 69 3PZ -0.00007 0.00024 0.00016 0.00060 -0.00002 70 4XX -0.00009 -0.00001 -0.00011 0.00005 -0.00005 71 4YY 0.00001 -0.00001 0.00007 -0.00002 -0.00003 72 4ZZ -0.00001 0.00000 -0.00001 -0.00001 0.00006 73 4XY 0.00006 -0.00001 -0.00002 -0.00003 -0.00006 74 4XZ -0.00002 -0.00001 -0.00003 -0.00004 0.00007 75 4YZ -0.00003 0.00006 -0.00006 0.00007 0.00032 76 6 C 1S 0.00024 0.00003 0.00079 -0.00006 0.00015 77 2S -0.00049 0.00009 -0.00156 0.00015 -0.00032 78 2PX -0.00016 -0.00017 -0.00402 0.00034 -0.00166 79 2PY -0.00020 -0.00004 0.00138 -0.00009 -0.00020 80 2PZ -0.00077 0.00067 -0.00153 -0.00010 0.00537 81 3S -0.00111 0.00018 -0.00214 -0.00008 -0.00041 82 3PX -0.00044 0.00008 -0.00114 0.00005 -0.00089 83 3PY -0.00010 0.00004 0.00071 0.00003 -0.00022 84 3PZ -0.00057 0.00059 -0.00086 0.00015 0.00383 85 4XX 0.00013 -0.00002 -0.00008 0.00003 -0.00006 86 4YY -0.00000 -0.00003 0.00009 -0.00003 0.00002 87 4ZZ -0.00001 0.00001 0.00007 -0.00003 0.00007 88 4XY -0.00002 0.00009 0.00024 0.00002 0.00002 89 4XZ 0.00000 -0.00001 -0.00005 -0.00011 0.00020 90 4YZ 0.00000 0.00002 0.00004 0.00004 -0.00003 91 7 C 1S -0.00296 0.00102 0.00182 0.00015 -0.00002 92 2S 0.00508 -0.00226 -0.00380 -0.00035 -0.00002 93 2PX 0.00356 -0.00079 0.00385 -0.00008 0.00003 94 2PY -0.00060 0.00320 0.00514 0.00070 0.00016 95 2PZ -0.00019 0.00003 0.00011 -0.00254 0.00608 96 3S 0.00610 -0.00141 -0.00325 -0.00061 0.00002 97 3PX 0.00140 -0.00004 0.00025 -0.00009 -0.00046 98 3PY -0.00091 0.00076 0.00154 0.00063 -0.00006 99 3PZ -0.00038 0.00005 -0.00047 -0.00159 0.00424 100 4XX -0.00013 0.00011 -0.00003 0.00003 0.00003 101 4YY 0.00010 -0.00020 0.00023 -0.00001 0.00006 102 4ZZ -0.00020 0.00014 0.00014 0.00002 -0.00005 103 4XY 0.00024 0.00012 0.00037 -0.00004 0.00007 104 4XZ 0.00005 -0.00003 0.00003 -0.00001 -0.00016 105 4YZ 0.00006 0.00005 0.00005 0.00015 0.00005 106 8 H 1S 0.00320 0.00031 0.00309 -0.00011 0.00077 107 2S 0.00195 0.00061 0.00423 -0.00014 0.00073 108 9 H 1S -0.00015 -0.00012 0.00059 -0.00014 0.00009 109 2S 0.00027 -0.00028 0.00043 -0.00025 0.00011 110 10 H 1S -0.00031 -0.00000 -0.00029 0.00012 -0.00008 111 2S -0.00073 -0.00006 -0.00064 0.00025 -0.00019 112 11 H 1S 0.00009 -0.00012 -0.00003 -0.00022 -0.00000 113 2S 0.00021 -0.00023 0.00052 -0.00021 0.00012 114 12 H 1S 0.00439 0.00026 0.00012 -0.00058 0.00037 115 2S 0.00430 0.00042 -0.00166 -0.00096 -0.00004 116 13 C 1S 0.00001 0.00005 -0.00050 0.00070 -0.00014 117 2S -0.00017 -0.00009 0.00112 -0.00144 0.00028 118 2PX 0.00083 0.00053 -0.00185 0.00268 -0.00018 119 2PY 0.00051 0.00020 -0.00029 0.00046 -0.00122 120 2PZ 0.00008 -0.00091 0.00149 -0.00140 0.00031 121 3S 0.00035 -0.00031 0.00177 -0.00290 0.00014 122 3PX 0.00000 0.00012 -0.00058 0.00106 0.00055 123 3PY 0.00071 -0.00005 -0.00028 -0.00028 -0.00088 124 3PZ 0.00019 -0.00045 0.00108 -0.00086 -0.00011 125 4XX -0.00012 -0.00008 -0.00010 0.00009 -0.00002 126 4YY 0.00010 -0.00002 -0.00008 -0.00007 0.00000 127 4ZZ -0.00002 0.00010 0.00008 0.00012 -0.00000 128 4XY -0.00004 -0.00005 -0.00007 -0.00006 0.00002 129 4XZ 0.00008 0.00005 -0.00007 0.00002 -0.00001 130 4YZ -0.00003 -0.00001 0.00002 0.00002 0.00001 131 14 C 1S -0.00006 -0.00002 0.00019 -0.00019 0.00002 132 2S -0.00003 -0.00012 -0.00042 0.00038 -0.00002 133 2PX -0.00034 -0.00008 0.00093 -0.00119 0.00009 134 2PY 0.00008 0.00001 -0.00007 -0.00027 0.00013 135 2PZ -0.00002 0.00001 -0.00012 -0.00035 -0.00003 136 3S -0.00035 -0.00019 -0.00109 0.00083 -0.00043 137 3PX -0.00012 -0.00009 0.00075 -0.00090 0.00025 138 3PY 0.00002 -0.00004 -0.00013 -0.00029 0.00014 139 3PZ 0.00009 -0.00004 -0.00016 -0.00040 0.00010 140 4XX 0.00003 0.00000 0.00003 -0.00003 0.00000 141 4YY -0.00000 -0.00001 0.00002 -0.00004 -0.00000 142 4ZZ -0.00002 0.00002 -0.00002 0.00001 0.00001 143 4XY -0.00001 0.00001 0.00002 0.00001 0.00005 144 4XZ -0.00001 0.00002 -0.00007 0.00005 -0.00001 145 4YZ -0.00001 -0.00000 -0.00001 0.00001 -0.00000 146 15 H 1S -0.00006 -0.00008 0.00027 -0.00026 0.00018 147 2S 0.00005 -0.00002 0.00053 -0.00038 0.00026 148 16 H 1S -0.00013 0.00005 -0.00023 -0.00001 0.00002 149 2S -0.00018 0.00026 -0.00001 0.00037 0.00001 150 17 H 1S -0.00007 -0.00012 0.00017 -0.00017 -0.00018 151 2S 0.00022 -0.00012 0.00011 -0.00050 -0.00027 152 18 H 1S -0.00005 0.00058 0.00001 0.00007 -0.00020 153 2S 0.00006 0.00077 0.00014 0.00098 -0.00032 154 19 H 1S -0.00072 0.00147 0.00117 0.00383 -0.00029 155 2S -0.00026 0.00178 0.00183 0.00355 0.00023 156 20 H 1S 0.00206 -0.00023 -0.00400 -0.00079 -0.00062 157 2S 0.00315 -0.00005 -0.00340 -0.00146 -0.00047 31 32 33 34 35 31 3 C 1S 1.02647 32 2S -0.03162 0.16413 33 2PX -0.00060 -0.00165 0.20997 34 2PY -0.00001 0.00225 -0.00097 0.20890 35 2PZ -0.00002 -0.00048 0.00716 0.00328 0.16791 36 3S -0.08762 0.13391 0.02582 0.00889 0.00788 37 3PX -0.00143 0.00497 0.06931 0.00463 -0.00607 38 3PY 0.00039 -0.01120 0.01304 0.06753 0.00051 39 3PZ -0.00024 -0.00011 -0.00662 -0.00227 0.11541 40 4XX -0.00841 -0.00173 -0.00505 0.00335 -0.00025 41 4YY -0.01010 0.00096 0.00670 -0.00739 0.00013 42 4ZZ -0.00571 -0.00780 -0.00036 0.00040 0.00013 43 4XY 0.00071 -0.00127 0.00484 0.00754 0.00086 44 4XZ -0.00050 0.00114 -0.00035 0.00129 -0.00093 45 4YZ -0.00027 0.00057 0.00084 0.00039 0.00379 46 4 C 1S 0.00849 -0.01728 0.03854 -0.00890 0.00583 47 2S -0.01723 0.03035 -0.07927 0.01678 -0.01202 48 2PX -0.03857 0.08017 -0.14526 0.03476 -0.03992 49 2PY 0.00791 -0.01904 0.03663 0.00118 -0.00162 50 2PZ -0.00596 0.01209 -0.03992 -0.00230 0.09900 51 3S 0.00306 0.01108 -0.06872 0.02742 -0.00963 52 3PX -0.00459 0.01858 -0.04177 0.00769 -0.01825 53 3PY 0.00331 -0.00261 0.01885 0.00911 -0.00221 54 3PZ -0.00050 0.00282 -0.01752 -0.00360 0.06513 55 4XX -0.00304 0.00539 -0.00187 0.00307 -0.00189 56 4YY 0.00132 -0.00336 0.00517 -0.00357 0.00082 57 4ZZ 0.00084 -0.00199 0.00272 -0.00087 0.00197 58 4XY 0.00124 -0.00225 0.00273 0.00547 0.00071 59 4XZ -0.00067 0.00128 -0.00180 0.00076 0.00567 60 4YZ 0.00024 -0.00048 0.00093 0.00082 -0.00150 61 5 C 1S -0.00157 0.00430 -0.00622 0.00422 -0.00069 62 2S 0.00431 -0.01011 0.01649 -0.01038 0.00190 63 2PX 0.00479 -0.01172 0.01484 -0.00601 0.00371 64 2PY -0.00551 0.01573 -0.01648 0.01256 -0.00108 65 2PZ 0.00036 -0.00067 0.00313 0.00036 -0.00984 66 3S -0.00371 -0.00278 0.01010 -0.02739 -0.00026 67 3PX -0.00365 0.00189 -0.00665 0.00050 0.00129 68 3PY -0.00245 0.00784 -0.01334 0.01778 -0.00020 69 3PZ -0.00086 0.00108 0.00052 0.00218 -0.01432 70 4XX -0.00064 0.00159 -0.00336 0.00102 -0.00055 71 4YY 0.00025 -0.00053 0.00031 0.00020 0.00078 72 4ZZ 0.00007 0.00002 0.00024 -0.00005 -0.00062 73 4XY 0.00087 -0.00178 0.00412 -0.00165 0.00149 74 4XZ -0.00008 0.00018 -0.00041 0.00009 0.00018 75 4YZ 0.00016 -0.00034 0.00166 0.00018 -0.00526 76 6 C 1S -0.00173 0.00295 -0.00166 0.00404 0.00002 77 2S 0.00293 -0.00607 0.00358 -0.00898 -0.00015 78 2PX 0.00090 -0.00236 -0.01494 -0.00959 0.00766 79 2PY -0.00406 0.00834 -0.00960 0.00995 0.00388 80 2PZ -0.00012 0.00031 0.00778 0.00430 -0.06331 81 3S 0.01400 -0.01957 0.00587 -0.02713 -0.00014 82 3PX 0.00215 -0.00282 -0.01426 -0.00767 0.00624 83 3PY -0.00630 0.00830 -0.00657 0.00358 0.00249 84 3PZ -0.00006 0.00015 0.00611 0.00342 -0.05208 85 4XX -0.00011 0.00032 -0.00072 -0.00004 -0.00018 86 4YY 0.00010 -0.00039 0.00064 0.00014 0.00018 87 4ZZ -0.00020 0.00025 -0.00005 0.00004 0.00001 88 4XY -0.00011 0.00033 0.00120 0.00043 0.00024 89 4XZ 0.00002 0.00003 -0.00010 0.00002 0.00028 90 4YZ 0.00001 0.00000 0.00033 0.00011 -0.00035 91 7 C 1S -0.00184 0.00479 0.00312 0.00696 0.00103 92 2S 0.00478 -0.01112 -0.00818 -0.01742 -0.00239 93 2PX 0.00003 -0.00037 0.00219 -0.00126 0.00119 94 2PY -0.00796 0.02001 0.01057 0.02259 0.00338 95 2PZ -0.00050 0.00133 0.00205 0.00219 -0.00547 96 3S -0.00084 -0.00841 0.00183 -0.03460 -0.00534 97 3PX 0.00587 -0.00799 -0.01300 -0.02144 -0.00203 98 3PY -0.00124 0.00767 -0.00339 0.01700 0.00189 99 3PZ 0.00089 -0.00071 -0.00071 -0.00168 -0.00971 100 4XX 0.00035 -0.00051 -0.00076 -0.00136 -0.00117 101 4YY -0.00078 0.00164 0.00253 0.00395 0.00130 102 4ZZ 0.00003 0.00010 0.00006 -0.00008 0.00033 103 4XY -0.00075 0.00161 0.00210 0.00288 0.00121 104 4XZ 0.00000 0.00001 -0.00053 -0.00031 0.00294 105 4YZ -0.00019 0.00040 0.00134 0.00116 -0.00444 106 8 H 1S -0.00398 0.00893 0.01035 0.01332 0.00270 107 2S -0.00727 0.01462 0.02359 0.03121 0.00663 108 9 H 1S -0.00037 0.00059 -0.00091 0.00224 0.00012 109 2S 0.00080 -0.00134 -0.00128 0.00212 0.00030 110 10 H 1S -0.00412 0.00953 -0.01675 0.00466 -0.00245 111 2S -0.00685 0.01453 -0.03229 0.01170 -0.00449 112 11 H 1S 0.00644 -0.01376 0.02268 0.00509 0.00421 113 2S 0.00835 -0.01514 0.04414 0.01265 0.00810 114 12 H 1S -0.03004 0.05681 0.04118 -0.12717 -0.00260 115 2S -0.00668 0.01226 0.03829 -0.11471 -0.00144 116 13 C 1S 0.00072 -0.00160 -0.00146 -0.00100 -0.00537 117 2S -0.00166 0.00369 0.00353 0.00253 0.01014 118 2PX 0.00235 -0.00461 -0.00486 -0.00519 -0.01606 119 2PY 0.00153 -0.00350 -0.00332 0.00541 -0.00349 120 2PZ -0.00188 0.00461 0.00545 0.00460 0.00927 121 3S -0.00310 0.00611 0.01097 0.00530 0.03950 122 3PX -0.00013 0.00037 0.00381 0.00112 -0.00661 123 3PY 0.00108 -0.00243 -0.00229 0.00756 -0.00159 124 3PZ -0.00193 0.00404 0.01185 0.00618 0.01042 125 4XX 0.00036 -0.00068 -0.00087 -0.00068 -0.00109 126 4YY 0.00003 -0.00009 -0.00006 0.00023 0.00031 127 4ZZ -0.00022 0.00038 0.00091 0.00030 -0.00024 128 4XY 0.00007 -0.00017 -0.00030 -0.00004 0.00012 129 4XZ 0.00000 -0.00005 0.00004 0.00013 -0.00031 130 4YZ 0.00003 -0.00004 -0.00011 -0.00011 -0.00028 131 14 C 1S -0.00038 0.00073 0.00129 0.00091 0.00144 132 2S 0.00077 -0.00154 -0.00202 -0.00149 -0.00246 133 2PX -0.00166 0.00291 0.00433 0.00358 0.00811 134 2PY -0.00004 0.00031 -0.00010 -0.00004 0.00103 135 2PZ 0.00028 -0.00068 -0.00111 -0.00056 0.00223 136 3S 0.00293 -0.00568 -0.01449 -0.00837 -0.01231 137 3PX -0.00162 0.00300 0.00661 0.00384 0.00971 138 3PY 0.00016 -0.00036 -0.00077 -0.00008 0.00107 139 3PZ 0.00007 -0.00020 -0.00127 0.00022 0.00240 140 4XX -0.00004 0.00010 0.00001 0.00011 0.00016 141 4YY -0.00003 0.00004 0.00015 0.00018 0.00026 142 4ZZ 0.00001 -0.00005 -0.00001 -0.00010 -0.00010 143 4XY -0.00007 0.00018 0.00019 -0.00026 0.00002 144 4XZ 0.00011 -0.00024 -0.00035 -0.00029 -0.00033 145 4YZ 0.00003 -0.00007 -0.00016 -0.00012 -0.00004 146 15 H 1S -0.00064 0.00138 0.00191 0.00066 0.00165 147 2S -0.00129 0.00275 0.00436 0.00140 0.00368 148 16 H 1S 0.00040 -0.00089 -0.00149 -0.00146 -0.00014 149 2S -0.00009 0.00010 0.00123 -0.00114 -0.00214 150 17 H 1S -0.00013 -0.00006 0.00037 0.00164 0.00122 151 2S 0.00001 -0.00039 0.00026 0.00377 0.00256 152 18 H 1S -0.00029 0.00014 0.00118 0.00087 0.00061 153 2S -0.00099 0.00153 0.00814 0.00266 -0.00704 154 19 H 1S -0.00218 0.00466 0.00933 0.00391 -0.01518 155 2S -0.00395 0.00820 0.02109 0.00665 -0.02374 156 20 H 1S 0.00410 -0.00948 -0.01301 -0.00098 0.00036 157 2S 0.00314 -0.00775 -0.01109 -0.01046 0.00127 36 37 38 39 40 36 3S 0.13323 37 3PX 0.01090 0.03026 38 3PY 0.00003 0.00532 0.02850 39 3PZ 0.00431 -0.00702 -0.00105 0.08131 40 4XX -0.00259 -0.00090 0.00046 0.00006 0.00056 41 4YY 0.00255 0.00122 -0.00137 -0.00017 -0.00040 42 4ZZ -0.00581 -0.00034 0.00055 0.00013 0.00013 43 4XY -0.00111 0.00121 0.00222 0.00001 0.00010 44 4XZ 0.00061 0.00016 0.00021 -0.00044 -0.00000 45 4YZ 0.00062 -0.00000 0.00006 0.00245 -0.00005 46 4 C 1S 0.00467 0.00553 0.00157 0.00108 -0.00307 47 2S 0.00806 -0.01717 0.00433 -0.00258 0.00533 48 2PX 0.05298 -0.04116 -0.00546 -0.01924 0.00130 49 2PY 0.01071 0.02199 0.01875 0.00013 -0.00227 50 2PZ 0.01095 -0.01755 -0.00420 0.06540 0.00179 51 3S -0.01190 -0.00962 0.00583 -0.00139 0.00567 52 3PX 0.00615 -0.00878 -0.00435 -0.00963 0.00055 53 3PY 0.00819 0.00791 0.00852 -0.00209 -0.00121 54 3PZ 0.00228 -0.00906 -0.00338 0.04275 0.00124 55 4XX 0.00432 -0.00075 0.00015 -0.00140 0.00003 56 4YY -0.00290 0.00178 -0.00050 0.00046 -0.00009 57 4ZZ -0.00087 0.00047 -0.00027 0.00114 -0.00020 58 4XY -0.00306 0.00092 0.00166 0.00024 0.00019 59 4XZ 0.00091 -0.00086 -0.00004 0.00409 0.00005 60 4YZ -0.00076 0.00045 0.00033 -0.00147 0.00009 61 5 C 1S -0.00359 -0.00253 -0.00387 -0.00064 0.00008 62 2S -0.00331 0.00830 0.00219 0.00139 -0.00014 63 2PX -0.03095 0.02021 0.00136 0.00626 0.00027 64 2PY -0.00592 -0.01214 -0.01303 -0.00196 -0.00068 65 2PZ -0.00711 0.00397 -0.00025 -0.01669 0.00157 66 3S 0.00481 0.00735 -0.00455 0.00095 -0.00052 67 3PX -0.00488 0.00252 -0.00001 0.00319 0.00013 68 3PY 0.00168 -0.00526 0.00071 0.00011 0.00022 69 3PZ -0.00170 0.00173 0.00052 -0.01646 0.00114 70 4XX 0.00126 -0.00173 -0.00055 -0.00027 -0.00001 71 4YY -0.00067 0.00046 0.00051 0.00062 0.00014 72 4ZZ -0.00008 0.00002 -0.00016 -0.00056 -0.00003 73 4XY -0.00252 0.00124 -0.00081 0.00082 -0.00008 74 4XZ 0.00003 -0.00021 -0.00012 -0.00017 0.00001 75 4YZ -0.00059 0.00093 0.00018 -0.00377 -0.00006 76 6 C 1S 0.01315 -0.00358 0.00688 -0.00014 -0.00010 77 2S -0.01972 0.00545 -0.01049 0.00014 0.00027 78 2PX -0.00196 -0.00451 -0.00772 0.00816 0.00077 79 2PY 0.03165 -0.00646 0.00885 0.00364 0.00016 80 2PZ -0.00050 0.00775 0.00279 -0.05325 0.00018 81 3S -0.03495 0.00601 -0.01516 0.00075 0.00069 82 3PX -0.00278 -0.00258 -0.00353 0.00704 0.00062 83 3PY 0.01350 -0.00214 0.00176 0.00273 0.00012 84 3PZ -0.00128 0.00654 0.00281 -0.04189 0.00010 85 4XX 0.00055 -0.00058 -0.00031 -0.00019 0.00001 86 4YY 0.00036 0.00030 0.00086 0.00012 -0.00004 87 4ZZ 0.00064 -0.00012 0.00016 0.00006 -0.00002 88 4XY 0.00014 0.00129 -0.00004 0.00013 0.00008 89 4XZ -0.00000 0.00005 -0.00010 0.00029 -0.00008 90 4YZ 0.00004 0.00027 0.00007 0.00007 -0.00002 91 7 C 1S -0.00123 0.00592 -0.00182 0.00083 0.00063 92 2S -0.00761 -0.01038 -0.00270 -0.00180 -0.00116 93 2PX 0.01513 -0.00134 0.01046 0.00148 -0.00046 94 2PY 0.02985 0.03090 0.00064 0.00524 0.00293 95 2PZ 0.00368 0.00488 0.00185 -0.00786 -0.00116 96 3S -0.00254 -0.01078 -0.00572 -0.00444 -0.00237 97 3PX -0.00681 -0.00419 -0.00376 0.00064 0.00020 98 3PY 0.01035 0.00771 -0.00140 0.00116 0.00170 99 3PZ -0.00100 0.00239 -0.00107 -0.00900 -0.00081 100 4XX -0.00151 0.00076 -0.00108 -0.00071 0.00015 101 4YY 0.00253 0.00029 0.00185 0.00060 -0.00009 102 4ZZ 0.00012 0.00029 -0.00017 0.00035 0.00005 103 4XY 0.00260 0.00159 0.00132 0.00081 -0.00005 104 4XZ -0.00003 -0.00020 -0.00034 0.00239 -0.00000 105 4YZ 0.00053 0.00075 0.00061 -0.00320 0.00002 106 8 H 1S 0.02162 0.01323 0.00782 0.00262 0.00038 107 2S 0.02647 0.01858 0.01617 0.00526 0.00013 108 9 H 1S 0.00956 -0.00159 0.00398 0.00017 -0.00018 109 2S 0.01116 -0.00353 0.00742 0.00027 -0.00054 110 10 H 1S 0.01914 -0.01445 -0.00210 -0.00255 -0.00028 111 2S 0.01850 -0.01876 -0.00225 -0.00317 0.00012 112 11 H 1S -0.02567 0.00485 -0.00009 0.00086 0.00241 113 2S -0.02183 0.01093 0.00270 0.00191 0.00088 114 12 H 1S 0.05102 0.01146 -0.04006 -0.00107 -0.00402 115 2S 0.01572 0.00780 -0.02908 0.00001 -0.00388 116 13 C 1S -0.00354 0.00024 -0.00132 -0.00389 0.00033 117 2S 0.00666 -0.00185 0.00221 0.00699 -0.00070 118 2PX -0.02413 0.00186 -0.01238 -0.01471 0.00098 119 2PY -0.00562 0.00502 0.01813 0.00476 0.00028 120 2PZ 0.00737 -0.00212 0.00863 0.00904 -0.00062 121 3S 0.01394 0.00087 0.00690 0.02926 -0.00136 122 3PX -0.00613 0.00283 -0.00566 -0.00720 0.00024 123 3PY -0.00145 0.00358 0.01881 0.00541 0.00001 124 3PZ 0.00777 0.00384 0.00815 0.00932 -0.00040 125 4XX -0.00183 0.00005 -0.00084 -0.00072 0.00018 126 4YY 0.00003 0.00009 0.00046 0.00035 -0.00003 127 4ZZ 0.00130 0.00011 0.00023 -0.00037 -0.00008 128 4XY -0.00037 -0.00002 -0.00012 0.00013 0.00003 129 4XZ -0.00048 0.00015 -0.00003 -0.00027 -0.00001 130 4YZ -0.00050 0.00005 -0.00035 -0.00023 0.00004 131 14 C 1S 0.00350 -0.00013 0.00186 0.00118 -0.00021 132 2S -0.00612 0.00011 -0.00257 -0.00195 0.00040 133 2PX 0.01998 -0.00006 0.00856 0.00760 -0.00073 134 2PY -0.00162 0.00062 -0.00203 0.00049 -0.00011 135 2PZ -0.00279 -0.00259 -0.00013 0.00151 -0.00006 136 3S -0.01622 -0.00335 -0.00755 -0.00838 0.00122 137 3PX 0.01285 0.00104 0.00507 0.00747 -0.00064 138 3PY -0.00139 0.00013 -0.00079 0.00087 -0.00005 139 3PZ -0.00126 -0.00139 0.00073 0.00194 -0.00013 140 4XX 0.00002 -0.00006 0.00020 0.00015 -0.00003 141 4YY 0.00068 0.00007 0.00042 0.00029 -0.00002 142 4ZZ -0.00005 -0.00008 -0.00028 -0.00017 0.00000 143 4XY 0.00004 -0.00015 -0.00096 -0.00035 -0.00002 144 4XZ -0.00077 -0.00003 -0.00050 -0.00035 0.00004 145 4YZ -0.00027 -0.00011 -0.00017 -0.00007 0.00002 146 15 H 1S 0.00516 0.00088 -0.00008 0.00108 -0.00019 147 2S 0.00801 0.00066 0.00019 0.00199 -0.00045 148 16 H 1S -0.00293 -0.00168 -0.00239 -0.00070 0.00009 149 2S -0.00042 -0.00096 -0.00360 -0.00315 0.00000 150 17 H 1S 0.00526 0.00042 0.00588 0.00263 -0.00003 151 2S 0.00590 0.00095 0.01054 0.00499 -0.00022 152 18 H 1S 0.00450 0.00091 0.00122 0.00001 -0.00029 153 2S 0.00652 0.00368 0.00152 -0.00619 -0.00026 154 19 H 1S 0.01496 -0.00057 0.00273 -0.01417 -0.00083 155 2S 0.01880 0.00388 0.00152 -0.02180 -0.00111 156 20 H 1S -0.01253 0.00185 0.00994 0.00438 0.00018 157 2S -0.00874 -0.00039 0.01021 0.00585 -0.00078 41 42 43 44 45 41 4YY 0.00085 42 4ZZ -0.00005 0.00048 43 4XY -0.00020 0.00007 0.00064 44 4XZ -0.00009 0.00005 0.00002 0.00033 45 4YZ 0.00002 0.00001 0.00006 0.00007 0.00015 46 4 C 1S 0.00138 0.00083 0.00111 -0.00069 0.00023 47 2S -0.00327 -0.00198 -0.00235 0.00128 -0.00050 48 2PX -0.00483 -0.00265 -0.00385 0.00155 -0.00100 49 2PY 0.00356 0.00014 -0.00538 -0.00042 -0.00070 50 2PZ -0.00071 -0.00208 -0.00079 -0.00567 0.00091 51 3S -0.00459 -0.00088 -0.00116 0.00126 -0.00048 52 3PX -0.00194 -0.00042 -0.00111 0.00087 -0.00038 53 3PY 0.00121 0.00001 -0.00105 0.00000 -0.00012 54 3PZ -0.00032 -0.00127 -0.00003 -0.00404 0.00044 55 4XX -0.00015 -0.00020 0.00017 0.00005 -0.00001 56 4YY 0.00028 0.00011 -0.00003 -0.00002 0.00001 57 4ZZ 0.00011 0.00013 0.00009 -0.00007 0.00005 58 4XY -0.00023 0.00012 0.00051 0.00009 0.00005 59 4XZ -0.00009 -0.00003 0.00003 0.00007 0.00014 60 4YZ -0.00002 -0.00004 0.00010 -0.00016 -0.00002 61 5 C 1S -0.00050 0.00010 0.00093 0.00007 0.00011 62 2S 0.00125 -0.00002 -0.00196 -0.00018 -0.00023 63 2PX 0.00099 0.00017 -0.00210 0.00087 -0.00017 64 2PY -0.00251 0.00044 0.00439 0.00055 0.00054 65 2PZ 0.00004 -0.00166 0.00046 -0.00534 -0.00046 66 3S 0.00128 -0.00014 -0.00264 -0.00031 -0.00035 67 3PX -0.00014 0.00002 -0.00080 0.00065 -0.00004 68 3PY -0.00162 0.00013 0.00151 0.00046 0.00016 69 3PZ -0.00007 -0.00124 0.00037 -0.00375 -0.00061 70 4XX -0.00017 -0.00003 0.00007 0.00003 -0.00001 71 4YY 0.00001 -0.00002 -0.00002 0.00000 0.00000 72 4ZZ -0.00002 0.00003 0.00009 0.00001 0.00002 73 4XY 0.00010 0.00008 0.00022 -0.00005 0.00004 74 4XZ -0.00003 -0.00002 0.00001 -0.00006 0.00004 75 4YZ 0.00002 0.00007 0.00002 0.00019 -0.00003 76 6 C 1S 0.00006 -0.00020 -0.00010 0.00001 0.00000 77 2S -0.00030 0.00025 0.00031 0.00003 0.00000 78 2PX -0.00071 -0.00007 -0.00103 0.00014 -0.00030 79 2PY -0.00012 -0.00013 -0.00042 0.00004 -0.00010 80 2PZ -0.00017 -0.00000 -0.00028 -0.00018 0.00041 81 3S -0.00000 0.00078 -0.00009 0.00012 -0.00001 82 3PX -0.00054 0.00007 -0.00123 0.00011 -0.00024 83 3PY -0.00034 -0.00021 -0.00012 0.00004 -0.00006 84 3PZ -0.00010 0.00000 -0.00024 -0.00002 0.00003 85 4XX -0.00006 -0.00003 0.00008 -0.00008 -0.00003 86 4YY 0.00017 -0.00002 -0.00015 -0.00003 -0.00001 87 4ZZ -0.00002 0.00003 -0.00000 0.00010 0.00003 88 4XY -0.00015 -0.00001 0.00001 -0.00003 -0.00002 89 4XZ -0.00003 0.00010 -0.00003 0.00028 0.00011 90 4YZ -0.00001 0.00003 -0.00002 0.00011 -0.00003 91 7 C 1S -0.00108 0.00006 0.00004 0.00012 -0.00009 92 2S 0.00232 0.00002 -0.00019 -0.00026 0.00016 93 2PX 0.00123 -0.00023 -0.00004 -0.00095 -0.00043 94 2PY -0.00606 -0.00000 -0.00016 0.00020 -0.00076 95 2PZ -0.00059 0.00174 -0.00085 0.00445 0.00276 96 3S 0.00354 -0.00006 -0.00010 -0.00069 0.00013 97 3PX 0.00058 0.00009 -0.00116 -0.00059 -0.00045 98 3PY -0.00290 -0.00004 0.00032 0.00004 -0.00030 99 3PZ -0.00036 0.00131 -0.00074 0.00335 0.00175 100 4XX -0.00020 0.00004 -0.00007 -0.00001 -0.00004 101 4YY 0.00010 -0.00008 0.00021 0.00003 0.00007 102 4ZZ -0.00010 0.00002 -0.00002 0.00001 -0.00003 103 4XY -0.00013 -0.00003 0.00006 0.00002 0.00003 104 4XZ -0.00003 0.00003 -0.00001 0.00007 0.00002 105 4YZ 0.00002 -0.00007 0.00007 -0.00013 -0.00015 106 8 H 1S -0.00148 -0.00008 0.00020 0.00009 -0.00009 107 2S -0.00160 -0.00027 0.00094 0.00025 0.00007 108 9 H 1S 0.00061 -0.00001 -0.00034 -0.00006 -0.00000 109 2S 0.00131 -0.00008 -0.00086 -0.00015 -0.00002 110 10 H 1S -0.00090 -0.00005 0.00079 0.00002 0.00006 111 2S -0.00164 -0.00020 0.00089 0.00013 0.00003 112 11 H 1S -0.00113 0.00051 0.00392 0.00070 0.00054 113 2S -0.00045 0.00072 0.00455 0.00040 0.00068 114 12 H 1S 0.00709 -0.00309 -0.00464 -0.00054 0.00008 115 2S 0.00702 -0.00123 -0.00434 -0.00086 -0.00004 116 13 C 1S -0.00012 -0.00003 0.00006 -0.00009 -0.00019 117 2S 0.00026 0.00005 -0.00011 0.00017 0.00035 118 2PX -0.00068 0.00001 0.00020 -0.00010 -0.00046 119 2PY 0.00000 0.00001 -0.00025 0.00045 -0.00020 120 2PZ 0.00051 -0.00016 -0.00011 -0.00019 0.00007 121 3S 0.00045 0.00034 -0.00013 0.00121 0.00134 122 3PX -0.00034 0.00011 0.00024 0.00048 0.00008 123 3PY 0.00020 -0.00008 -0.00020 0.00019 -0.00016 124 3PZ 0.00032 -0.00016 0.00015 0.00002 0.00014 125 4XX -0.00011 0.00001 0.00002 -0.00002 -0.00005 126 4YY 0.00003 -0.00000 -0.00001 0.00001 0.00001 127 4ZZ 0.00005 -0.00000 0.00001 0.00001 0.00001 128 4XY -0.00002 0.00001 0.00000 -0.00000 0.00000 129 4XZ 0.00000 -0.00000 0.00001 0.00001 -0.00000 130 4YZ -0.00004 0.00000 0.00001 0.00000 -0.00001 131 14 C 1S 0.00017 -0.00001 -0.00001 0.00002 0.00007 132 2S -0.00029 0.00002 0.00006 0.00001 -0.00009 133 2PX 0.00062 -0.00004 -0.00007 0.00006 0.00030 134 2PY 0.00010 0.00003 -0.00000 -0.00008 0.00004 135 2PZ -0.00007 0.00005 -0.00005 0.00009 0.00010 136 3S -0.00070 -0.00008 -0.00014 -0.00066 -0.00065 137 3PX 0.00039 0.00006 0.00004 0.00038 0.00043 138 3PY 0.00001 0.00008 -0.00002 0.00009 0.00007 139 3PZ 0.00001 0.00008 -0.00008 0.00024 0.00017 140 4XX 0.00002 -0.00000 -0.00001 -0.00000 0.00000 141 4YY 0.00002 -0.00000 0.00000 0.00000 0.00001 142 4ZZ -0.00001 0.00001 0.00000 0.00000 0.00000 143 4XY 0.00000 -0.00000 0.00001 -0.00003 0.00000 144 4XZ -0.00004 0.00001 0.00000 0.00000 -0.00001 145 4YZ -0.00002 0.00000 -0.00000 0.00001 0.00000 146 15 H 1S 0.00021 -0.00003 0.00004 -0.00011 0.00005 147 2S 0.00038 -0.00006 0.00005 -0.00011 0.00013 148 16 H 1S -0.00013 0.00005 -0.00000 0.00002 0.00003 149 2S -0.00007 -0.00001 0.00008 -0.00013 -0.00004 150 17 H 1S 0.00008 -0.00003 -0.00004 0.00011 0.00002 151 2S 0.00024 -0.00001 -0.00012 0.00024 0.00008 152 18 H 1S 0.00012 0.00006 -0.00002 0.00020 0.00016 153 2S 0.00025 -0.00018 0.00021 -0.00022 -0.00019 154 19 H 1S 0.00053 -0.00013 0.00005 -0.00030 -0.00036 155 2S 0.00079 -0.00038 0.00036 -0.00061 -0.00054 156 20 H 1S 0.00020 0.00006 -0.00053 0.00009 -0.00003 157 2S 0.00136 -0.00001 -0.00105 0.00013 0.00008 46 47 48 49 50 46 4 C 1S 1.02636 47 2S -0.03170 0.16469 48 2PX 0.00006 0.00169 0.20950 49 2PY 0.00009 0.00258 -0.00041 0.21099 50 2PZ 0.00001 0.00049 0.00750 0.00333 0.16657 51 3S -0.08501 0.13063 0.00332 -0.00371 -0.00063 52 3PX 0.00077 -0.00800 0.06734 -0.00170 -0.00781 53 3PY 0.00091 -0.00892 0.00151 0.06060 -0.00383 54 3PZ 0.00016 -0.00194 -0.00739 -0.00415 0.11038 55 4XX -0.00905 -0.00075 0.00485 -0.00540 -0.00030 56 4YY -0.00935 -0.00018 -0.00722 0.00260 -0.00139 57 4ZZ -0.00577 -0.00772 -0.00005 -0.00010 0.00104 58 4XY -0.00117 0.00197 -0.00542 -0.00767 -0.00218 59 4XZ -0.00076 0.00158 0.00010 -0.00188 0.00218 60 4YZ -0.00052 0.00100 -0.00204 -0.00133 0.00233 61 5 C 1S 0.00853 -0.01721 0.01236 -0.03799 -0.00076 62 2S -0.01722 0.03008 -0.02735 0.07774 0.00117 63 2PX -0.01273 0.02416 -0.00567 0.04919 -0.01553 64 2PY 0.03786 -0.07909 0.05260 -0.14227 -0.00942 65 2PZ 0.00060 -0.00174 -0.01549 -0.01004 0.10442 66 3S 0.00254 0.01121 -0.00859 0.06792 0.00398 67 3PX 0.00012 0.00755 0.01217 0.00771 -0.00892 68 3PY 0.00531 -0.01675 0.02521 -0.04254 -0.00458 69 3PZ 0.00041 -0.00000 -0.00824 -0.00702 0.06891 70 4XX 0.00112 -0.00274 0.00492 -0.00352 0.00003 71 4YY -0.00293 0.00503 -0.00355 0.00072 0.00023 72 4ZZ 0.00096 -0.00221 0.00069 -0.00318 -0.00037 73 4XY 0.00163 -0.00341 -0.00417 -0.00510 -0.00019 74 4XZ 0.00015 -0.00036 0.00023 -0.00059 0.00180 75 4YZ -0.00005 0.00003 -0.00004 -0.00010 -0.00604 76 6 C 1S -0.00167 0.00451 0.00072 0.00730 0.00067 77 2S 0.00451 -0.01065 -0.00098 -0.01950 -0.00154 78 2PX -0.00222 0.00677 0.00283 0.00963 0.00261 79 2PY -0.00700 0.01829 -0.00093 0.02382 0.00229 80 2PZ -0.00088 0.00239 0.00189 0.00393 -0.00818 81 3S -0.00352 -0.00292 -0.01867 -0.01786 -0.00633 82 3PX -0.00447 0.00832 0.00836 0.01950 0.00383 83 3PY 0.00167 0.00238 0.00824 0.00081 0.00233 84 3PZ -0.00063 0.00151 0.00428 0.00425 -0.01260 85 4XX 0.00067 -0.00131 0.00052 -0.00276 0.00127 86 4YY -0.00110 0.00248 -0.00122 0.00596 0.00060 87 4ZZ 0.00008 -0.00001 0.00032 -0.00014 -0.00173 88 4XY 0.00002 -0.00018 -0.00008 0.00038 0.00088 89 4XZ 0.00012 -0.00027 0.00092 -0.00011 -0.00451 90 4YZ -0.00009 0.00018 0.00038 0.00080 -0.00273 91 7 C 1S -0.00172 0.00290 0.00242 0.00335 0.00058 92 2S 0.00292 -0.00598 -0.00536 -0.00663 -0.00127 93 2PX -0.00308 0.00672 -0.00499 0.01362 0.01163 94 2PY -0.00296 0.00646 0.01355 -0.00077 0.00724 95 2PZ -0.00072 0.00163 0.01149 0.00717 -0.06365 96 3S 0.01315 -0.01953 -0.01483 -0.02828 -0.00296 97 3PX -0.00565 0.00836 0.00049 0.00770 0.00791 98 3PY -0.00497 0.00754 0.00950 0.00153 0.00722 99 3PZ -0.00129 0.00197 0.01007 0.00554 -0.05271 100 4XX -0.00002 -0.00001 0.00093 -0.00086 0.00022 101 4YY -0.00001 -0.00002 -0.00099 0.00083 -0.00007 102 4ZZ -0.00019 0.00022 0.00003 0.00014 -0.00013 103 4XY 0.00012 -0.00043 0.00001 -0.00020 0.00006 104 4XZ 0.00004 -0.00007 0.00024 -0.00018 -0.00026 105 4YZ 0.00003 -0.00009 -0.00002 0.00004 -0.00031 106 8 H 1S -0.00054 0.00121 0.00179 0.00137 0.00067 107 2S 0.00113 -0.00193 -0.00161 0.00084 -0.00156 108 9 H 1S -0.00416 0.00973 -0.00448 0.01696 0.00046 109 2S -0.00694 0.01491 -0.00639 0.03488 0.00144 110 10 H 1S 0.00639 -0.01360 0.01646 -0.01750 0.00146 111 2S 0.00826 -0.01485 0.03518 -0.03336 0.00354 112 11 H 1S -0.03019 0.05718 -0.08706 -0.09941 -0.02227 113 2S -0.00712 0.01345 -0.07784 -0.09073 -0.02009 114 12 H 1S 0.00640 -0.01366 -0.01903 0.01456 -0.00210 115 2S 0.00838 -0.01530 -0.03854 0.03236 -0.00405 116 13 C 1S -0.00034 0.00074 0.00108 -0.00014 0.00119 117 2S 0.00073 -0.00162 -0.00222 0.00035 -0.00274 118 2PX -0.00128 0.00253 0.00394 -0.00105 0.00334 119 2PY -0.00050 0.00079 0.00364 -0.00052 -0.00528 120 2PZ 0.00082 -0.00213 -0.00332 0.00005 -0.00102 121 3S 0.00202 -0.00439 -0.00916 0.00262 -0.00893 122 3PX -0.00010 0.00037 0.00056 0.00260 -0.00722 123 3PY -0.00024 0.00021 0.00228 -0.00108 -0.00346 124 3PZ 0.00135 -0.00278 -0.00748 0.00307 -0.00095 125 4XX -0.00017 0.00038 0.00058 -0.00007 0.00045 126 4YY 0.00000 -0.00004 -0.00005 -0.00003 -0.00019 127 4ZZ 0.00013 -0.00025 -0.00053 0.00017 -0.00026 128 4XY -0.00003 0.00006 0.00015 -0.00008 -0.00003 129 4XZ -0.00001 -0.00000 0.00002 -0.00007 -0.00011 130 4YZ -0.00004 0.00009 0.00019 -0.00001 0.00002 131 14 C 1S 0.00023 -0.00052 -0.00097 0.00015 -0.00062 132 2S -0.00043 0.00092 0.00159 -0.00019 0.00061 133 2PX 0.00101 -0.00191 -0.00351 0.00089 -0.00217 134 2PY 0.00009 -0.00024 -0.00046 0.00011 0.00040 135 2PZ -0.00011 0.00018 0.00036 -0.00015 -0.00055 136 3S -0.00185 0.00394 0.00860 -0.00337 0.01016 137 3PX 0.00105 -0.00212 -0.00431 0.00158 -0.00526 138 3PY -0.00002 -0.00006 0.00031 -0.00010 -0.00174 139 3PZ -0.00013 0.00019 0.00106 0.00003 -0.00292 140 4XX 0.00001 -0.00004 -0.00001 -0.00008 -0.00005 141 4YY 0.00003 -0.00006 -0.00013 0.00002 -0.00010 142 4ZZ -0.00000 0.00001 -0.00002 0.00002 0.00001 143 4XY 0.00002 -0.00004 -0.00020 0.00003 0.00031 144 4XZ -0.00005 0.00013 0.00022 -0.00000 0.00013 145 4YZ -0.00003 0.00006 0.00012 -0.00001 0.00002 146 15 H 1S 0.00036 -0.00070 -0.00158 0.00032 0.00043 147 2S 0.00066 -0.00138 -0.00334 0.00064 0.00025 148 16 H 1S -0.00020 0.00045 0.00070 -0.00007 0.00042 149 2S 0.00007 -0.00004 -0.00106 0.00034 0.00202 150 17 H 1S 0.00010 -0.00015 0.00009 0.00005 -0.00147 151 2S 0.00015 -0.00041 0.00011 -0.00012 -0.00395 152 18 H 1S 0.00030 -0.00046 -0.00091 0.00040 -0.00171 153 2S 0.00079 -0.00139 -0.00478 0.00205 0.00113 154 19 H 1S 0.00111 -0.00221 -0.00437 0.00071 0.00087 155 2S 0.00208 -0.00431 -0.01008 0.00235 -0.00083 156 20 H 1S -0.00122 0.00219 0.00476 -0.00078 -0.00079 157 2S -0.00042 0.00055 0.00190 0.00121 -0.00468 51 52 53 54 55 51 3S 0.12065 52 3PX -0.00185 0.02641 53 3PY -0.00840 -0.00046 0.01984 54 3PZ -0.00156 -0.00860 -0.00447 0.07491 55 4XX -0.00045 0.00123 -0.00124 -0.00034 0.00052 56 4YY 0.00021 -0.00174 0.00057 -0.00049 -0.00025 57 4ZZ -0.00550 0.00029 0.00038 0.00074 0.00007 58 4XY 0.00277 -0.00145 -0.00199 -0.00085 0.00003 59 4XZ 0.00126 -0.00021 -0.00065 0.00134 0.00002 60 4YZ 0.00097 -0.00074 -0.00045 0.00165 0.00001 61 5 C 1S 0.00221 0.00324 -0.00456 0.00015 0.00103 62 2S 0.01254 -0.00347 0.01862 0.00087 -0.00278 63 2PX 0.03766 0.01030 0.01444 -0.00921 -0.00491 64 2PY -0.05756 0.02977 -0.03448 -0.00262 0.00409 65 2PZ 0.00167 -0.00818 -0.00486 0.06973 0.00013 66 3S -0.00315 0.00288 0.01486 0.00190 -0.00220 67 3PX 0.01129 0.00706 0.00228 -0.00635 -0.00102 68 3PY -0.00919 0.01155 -0.00951 -0.00261 0.00148 69 3PZ 0.00079 -0.00604 -0.00341 0.04631 0.00047 70 4XX -0.00358 0.00169 -0.00126 -0.00012 0.00032 71 4YY 0.00502 -0.00162 0.00020 0.00029 -0.00015 72 4ZZ -0.00121 0.00011 -0.00072 -0.00029 0.00010 73 4XY -0.00211 -0.00058 -0.00130 0.00046 -0.00008 74 4XZ -0.00062 0.00011 -0.00027 0.00102 0.00005 75 4YZ 0.00022 0.00050 0.00020 -0.00417 0.00002 76 6 C 1S -0.00371 -0.00486 0.00049 -0.00077 0.00037 77 2S -0.00247 0.00698 -0.00596 0.00079 -0.00060 78 2PX -0.00926 -0.00225 -0.00772 0.00107 0.00086 79 2PY 0.02437 -0.01822 0.01316 -0.00118 0.00121 80 2PZ 0.00101 0.00069 0.00114 -0.01266 0.00118 81 3S 0.00760 0.00172 -0.00671 -0.00172 -0.00149 82 3PX 0.00378 0.00226 0.00117 0.00165 -0.00032 83 3PY 0.00548 -0.00190 0.00209 0.00067 0.00069 84 3PZ 0.00159 0.00264 0.00165 -0.01306 0.00074 85 4XX -0.00212 0.00009 -0.00117 0.00096 0.00017 86 4YY 0.00273 -0.00098 0.00217 0.00022 -0.00021 87 4ZZ -0.00007 0.00006 0.00002 -0.00127 0.00004 88 4XY 0.00027 0.00083 -0.00005 0.00074 -0.00007 89 4XZ -0.00031 0.00074 0.00003 -0.00336 -0.00000 90 4YZ 0.00028 0.00038 0.00031 -0.00170 -0.00004 91 7 C 1S 0.01423 0.00458 0.00491 0.00108 -0.00002 92 2S -0.01997 -0.00605 -0.00653 -0.00140 0.00000 93 2PX 0.01468 -0.00771 0.01010 0.00908 -0.00102 94 2PY 0.02441 0.01201 -0.00451 0.00590 0.00086 95 2PZ 0.00582 0.00916 0.00554 -0.05286 -0.00023 96 3S -0.03490 -0.00878 -0.01114 -0.00097 0.00042 97 3PX 0.01035 -0.00084 0.00170 0.00583 -0.00103 98 3PY 0.01292 0.00432 -0.00127 0.00534 0.00065 99 3PZ 0.00379 0.00778 0.00362 -0.04209 -0.00019 100 4XX 0.00075 0.00113 -0.00065 0.00018 -0.00004 101 4YY -0.00002 -0.00100 0.00087 -0.00011 0.00006 102 4ZZ 0.00073 0.00018 0.00015 0.00002 -0.00001 103 4XY -0.00025 0.00031 0.00003 0.00004 0.00003 104 4XZ -0.00003 0.00022 -0.00016 -0.00001 -0.00005 105 4YZ -0.00012 -0.00004 0.00009 0.00003 0.00007 106 8 H 1S 0.00767 0.00114 0.00023 0.00044 0.00008 107 2S 0.00698 0.00120 0.00221 -0.00099 0.00024 108 9 H 1S 0.01765 -0.00973 0.01062 -0.00091 -0.00015 109 2S 0.01733 -0.01217 0.01518 -0.00101 -0.00055 110 10 H 1S -0.02723 0.00222 -0.00643 -0.00014 0.00279 111 2S -0.02480 0.00743 -0.01082 0.00046 0.00344 112 11 H 1S 0.05010 -0.02838 -0.03138 -0.00724 0.00044 113 2S 0.01455 -0.02258 -0.02557 -0.00587 0.00053 114 12 H 1S -0.02820 -0.00719 0.00188 -0.00105 -0.00059 115 2S -0.02757 -0.01367 0.00682 -0.00190 -0.00222 116 13 C 1S 0.00254 0.00101 -0.00015 0.00120 -0.00001 117 2S -0.00533 -0.00261 0.00126 -0.00272 0.00003 118 2PX 0.01328 0.00713 -0.00053 0.00459 0.00002 119 2PY 0.00553 0.00275 -0.00463 -0.00649 0.00017 120 2PZ -0.00523 -0.00359 0.00129 -0.00170 0.00006 121 3S -0.00797 -0.00479 0.00188 -0.00845 -0.00028 122 3PX 0.00414 0.00293 0.00148 -0.00427 -0.00000 123 3PY 0.00258 0.00101 -0.00378 -0.00498 0.00021 124 3PZ -0.00339 -0.00343 0.00100 -0.00120 -0.00001 125 4XX 0.00116 0.00061 -0.00025 0.00044 -0.00002 126 4YY 0.00002 0.00001 -0.00004 -0.00016 0.00000 127 4ZZ -0.00088 -0.00048 0.00018 -0.00020 0.00002 128 4XY 0.00019 0.00016 -0.00008 0.00000 -0.00000 129 4XZ 0.00025 0.00015 -0.00004 -0.00006 0.00001 130 4YZ 0.00038 0.00021 -0.00002 0.00004 -0.00000 131 14 C 1S -0.00209 -0.00109 0.00019 -0.00064 0.00002 132 2S 0.00353 0.00205 -0.00054 0.00077 -0.00004 133 2PX -0.01023 -0.00553 0.00036 -0.00281 0.00000 134 2PY 0.00055 0.00022 0.00033 0.00062 0.00002 135 2PZ -0.00026 0.00006 0.00022 -0.00062 -0.00004 136 3S 0.00886 0.00531 -0.00271 0.00807 -0.00005 137 3PX -0.00671 -0.00366 0.00106 -0.00456 -0.00003 138 3PY 0.00054 0.00051 0.00006 -0.00118 -0.00001 139 3PZ -0.00004 0.00049 0.00012 -0.00249 -0.00002 140 4XX -0.00007 -0.00004 0.00001 -0.00007 0.00001 141 4YY -0.00029 -0.00018 -0.00002 -0.00012 -0.00000 142 4ZZ -0.00006 -0.00002 0.00004 0.00004 -0.00000 143 4XY -0.00014 -0.00009 0.00023 0.00037 -0.00000 144 4XZ 0.00041 0.00025 -0.00004 0.00015 -0.00001 145 4YZ 0.00012 0.00009 -0.00001 0.00002 -0.00000 146 15 H 1S -0.00234 -0.00143 0.00046 0.00046 0.00001 147 2S -0.00429 -0.00271 0.00122 0.00037 0.00002 148 16 H 1S 0.00049 0.00050 0.00015 0.00047 -0.00004 149 2S -0.00088 -0.00061 0.00075 0.00204 -0.00001 150 17 H 1S -0.00194 -0.00098 -0.00087 -0.00193 -0.00000 151 2S -0.00222 -0.00115 -0.00135 -0.00432 0.00004 152 18 H 1S -0.00267 -0.00114 -0.00024 -0.00161 0.00005 153 2S -0.00355 -0.00269 0.00061 0.00141 0.00014 154 19 H 1S -0.01117 -0.00619 0.00224 0.00110 0.00040 155 2S -0.01283 -0.00793 0.00406 0.00082 0.00057 156 20 H 1S 0.00721 0.00483 -0.00414 -0.00120 -0.00010 157 2S 0.00281 0.00208 -0.00259 -0.00467 -0.00024 56 57 58 59 60 56 4YY 0.00056 57 4ZZ 0.00004 0.00044 58 4XY 0.00012 -0.00010 0.00083 59 4XZ -0.00003 -0.00002 0.00010 0.00027 60 4YZ 0.00004 -0.00006 0.00013 -0.00010 0.00026 61 5 C 1S -0.00285 0.00096 0.00176 0.00015 -0.00002 62 2S 0.00507 -0.00221 -0.00328 -0.00037 0.00006 63 2PX 0.00439 -0.00135 0.00423 -0.00001 0.00019 64 2PY -0.00091 0.00291 0.00416 0.00072 -0.00004 65 2PZ -0.00008 0.00007 0.00015 -0.00219 0.00600 66 3S 0.00374 -0.00120 -0.00419 -0.00053 -0.00030 67 3PX 0.00052 -0.00037 0.00129 0.00027 -0.00039 68 3PY -0.00056 0.00060 0.00150 0.00042 -0.00014 69 3PZ -0.00047 -0.00004 -0.00024 -0.00173 0.00401 70 4XX -0.00023 0.00010 -0.00024 0.00003 -0.00011 71 4YY 0.00011 -0.00019 0.00025 0.00005 0.00007 72 4ZZ -0.00019 0.00014 0.00013 -0.00003 0.00004 73 4XY 0.00024 0.00013 0.00042 0.00002 0.00007 74 4XZ -0.00001 0.00001 -0.00006 -0.00002 0.00012 75 4YZ 0.00006 -0.00005 0.00009 -0.00016 0.00005 76 6 C 1S -0.00078 0.00006 -0.00077 0.00000 -0.00020 77 2S 0.00171 0.00005 0.00172 -0.00000 0.00044 78 2PX -0.00252 0.00012 -0.00204 0.00052 -0.00135 79 2PY -0.00402 0.00019 -0.00267 0.00023 -0.00115 80 2PZ -0.00131 -0.00031 -0.00107 -0.00300 0.00434 81 3S 0.00209 -0.00003 0.00196 -0.00007 0.00046 82 3PX -0.00067 -0.00013 -0.00148 0.00029 -0.00085 83 3PY -0.00139 0.00014 -0.00080 0.00020 -0.00047 84 3PZ -0.00062 -0.00034 -0.00063 -0.00234 0.00295 85 4XX -0.00009 0.00005 -0.00008 -0.00000 0.00001 86 4YY 0.00009 -0.00009 -0.00010 -0.00003 0.00002 87 4ZZ -0.00007 0.00002 -0.00003 0.00003 -0.00007 88 4XY 0.00021 -0.00003 0.00004 -0.00002 0.00007 89 4XZ 0.00003 0.00001 0.00001 0.00008 -0.00013 90 4YZ 0.00007 -0.00003 0.00003 0.00003 -0.00015 91 7 C 1S -0.00000 -0.00020 0.00014 0.00005 0.00004 92 2S -0.00006 0.00023 -0.00049 -0.00007 -0.00012 93 2PX 0.00095 -0.00011 -0.00005 -0.00026 0.00004 94 2PY -0.00087 -0.00001 0.00025 0.00013 -0.00003 95 2PZ 0.00007 0.00015 -0.00004 0.00038 0.00025 96 3S 0.00050 0.00060 -0.00021 -0.00022 0.00010 97 3PX 0.00068 -0.00024 -0.00052 -0.00020 -0.00004 98 3PY -0.00103 -0.00010 -0.00028 0.00012 -0.00013 99 3PZ 0.00007 0.00001 -0.00010 0.00016 -0.00012 100 4XX 0.00007 -0.00001 0.00003 -0.00005 0.00007 101 4YY -0.00004 0.00001 0.00009 0.00005 -0.00000 102 4ZZ 0.00000 -0.00000 -0.00000 0.00002 -0.00004 103 4XY 0.00009 -0.00000 0.00017 0.00005 0.00003 104 4XZ 0.00005 0.00002 0.00004 0.00015 -0.00019 105 4YZ -0.00001 -0.00005 0.00003 -0.00019 0.00013 106 8 H 1S 0.00022 0.00004 0.00056 0.00005 0.00012 107 2S 0.00049 0.00002 0.00159 0.00019 0.00029 108 9 H 1S -0.00104 -0.00007 -0.00076 -0.00007 -0.00022 109 2S -0.00099 -0.00025 -0.00146 -0.00015 -0.00033 110 10 H 1S -0.00139 0.00037 -0.00372 0.00020 -0.00078 111 2S -0.00292 0.00063 -0.00285 0.00034 -0.00079 112 11 H 1S 0.00218 -0.00275 0.00766 0.00126 0.00176 113 2S 0.00211 -0.00090 0.00713 0.00085 0.00150 114 12 H 1S 0.00208 0.00026 -0.00418 -0.00050 -0.00056 115 2S 0.00288 0.00048 -0.00356 -0.00079 -0.00042 116 13 C 1S -0.00001 -0.00007 -0.00009 -0.00027 0.00014 117 2S 0.00003 0.00013 0.00019 0.00050 -0.00026 118 2PX -0.00003 -0.00024 -0.00042 -0.00078 0.00040 119 2PY -0.00020 -0.00012 0.00018 -0.00012 0.00012 120 2PZ 0.00001 0.00005 0.00030 0.00048 -0.00022 121 3S 0.00031 0.00046 0.00056 0.00179 -0.00121 122 3PX 0.00005 -0.00007 -0.00009 -0.00026 0.00003 123 3PY -0.00022 -0.00010 0.00029 -0.00001 0.00016 124 3PZ 0.00014 0.00011 0.00033 0.00040 -0.00022 125 4XX -0.00001 -0.00001 -0.00005 -0.00005 0.00002 126 4YY 0.00000 -0.00000 0.00002 0.00002 -0.00001 127 4ZZ 0.00001 0.00000 0.00002 -0.00002 0.00002 128 4XY -0.00001 0.00000 -0.00001 0.00001 -0.00001 129 4XZ -0.00000 -0.00001 0.00000 -0.00001 0.00001 130 4YZ -0.00000 -0.00000 -0.00001 -0.00001 0.00001 131 14 C 1S 0.00001 0.00001 0.00007 0.00007 -0.00002 132 2S -0.00002 -0.00004 -0.00013 -0.00011 0.00003 133 2PX 0.00005 0.00015 0.00031 0.00038 -0.00019 134 2PY 0.00000 0.00001 0.00001 0.00007 -0.00004 135 2PZ 0.00001 0.00001 -0.00003 0.00011 -0.00008 136 3S -0.00021 -0.00019 -0.00055 -0.00057 0.00037 137 3PX 0.00010 0.00016 0.00029 0.00046 -0.00031 138 3PY -0.00000 0.00001 0.00001 0.00009 -0.00009 139 3PZ -0.00001 0.00001 0.00002 0.00016 -0.00013 140 4XX -0.00000 -0.00000 0.00001 0.00001 -0.00000 141 4YY 0.00000 0.00001 0.00001 0.00001 -0.00001 142 4ZZ 0.00000 0.00000 -0.00001 -0.00001 0.00000 143 4XY 0.00001 0.00000 -0.00001 -0.00000 -0.00000 144 4XZ -0.00000 -0.00000 -0.00002 -0.00002 0.00001 145 4YZ -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 146 15 H 1S 0.00003 0.00004 0.00008 0.00008 -0.00004 147 2S 0.00008 0.00007 0.00016 0.00016 -0.00007 148 16 H 1S 0.00000 -0.00000 -0.00009 -0.00001 -0.00002 149 2S 0.00004 -0.00000 -0.00006 -0.00015 0.00010 150 17 H 1S -0.00003 0.00002 0.00009 0.00006 -0.00002 151 2S -0.00005 0.00001 0.00022 0.00016 -0.00007 152 18 H 1S 0.00001 0.00005 0.00007 0.00000 0.00002 153 2S 0.00007 -0.00002 0.00011 -0.00044 0.00032 154 19 H 1S -0.00004 -0.00011 0.00019 -0.00083 0.00057 155 2S 0.00011 -0.00014 0.00033 -0.00126 0.00097 156 20 H 1S -0.00014 -0.00013 -0.00006 0.00015 -0.00010 157 2S 0.00012 -0.00009 -0.00027 0.00020 -0.00021 61 62 63 64 65 61 5 C 1S 1.02630 62 2S -0.03161 0.16450 63 2PX 0.00021 0.00297 0.20939 64 2PY -0.00003 -0.00066 -0.00071 0.20998 65 2PZ -0.00002 0.00054 0.00741 0.00315 0.16728 66 3S -0.08391 0.12829 -0.00510 0.00127 -0.00052 67 3PX 0.00181 -0.01304 0.06142 0.00211 -0.00815 68 3PY -0.00044 0.00298 0.00197 0.06668 -0.00312 69 3PZ 0.00022 -0.00188 -0.00841 -0.00296 0.11099 70 4XX -0.01014 0.00113 -0.00848 0.00491 -0.00216 71 4YY -0.00827 -0.00204 0.00474 -0.00419 0.00062 72 4ZZ -0.00577 -0.00773 0.00005 0.00012 0.00096 73 4XY 0.00056 -0.00097 0.00537 0.00664 0.00130 74 4XZ -0.00084 0.00172 -0.00196 0.00119 0.00332 75 4YZ -0.00012 0.00033 0.00143 0.00084 -0.00064 76 6 C 1S 0.00848 -0.01713 -0.02640 -0.02907 -0.00657 77 2S -0.01712 0.02995 0.05293 0.06182 0.01355 78 2PX 0.02610 -0.05529 -0.06184 -0.08135 -0.03419 79 2PY 0.02940 -0.05931 -0.07787 -0.08186 -0.02682 80 2PZ 0.00659 -0.01372 -0.03401 -0.02733 0.09766 81 3S 0.00237 0.01221 0.05694 0.03617 0.01047 82 3PX 0.00475 -0.01050 -0.01191 -0.03698 -0.01730 83 3PY 0.00282 -0.01559 -0.02186 -0.01103 -0.00904 84 3PZ 0.00109 -0.00306 -0.01542 -0.01206 0.06525 85 4XX -0.00067 0.00049 -0.00587 0.00169 0.00037 86 4YY -0.00103 0.00157 0.00384 -0.00474 0.00086 87 4ZZ 0.00082 -0.00194 -0.00203 -0.00167 -0.00229 88 4XY -0.00279 0.00548 0.00280 0.00393 0.00187 89 4XZ -0.00051 0.00091 0.00025 0.00132 -0.00407 90 4YZ -0.00063 0.00124 0.00175 0.00075 -0.00406 91 7 C 1S -0.00158 0.00434 0.00655 0.00296 0.00131 92 2S 0.00430 -0.01017 -0.01681 -0.00931 -0.00378 93 2PX -0.00736 0.01908 0.02227 0.01148 0.00650 94 2PY -0.00136 0.00288 0.00114 0.00469 0.00166 95 2PZ -0.00127 0.00338 0.00552 0.00297 -0.00910 96 3S -0.00371 -0.00315 -0.02689 0.01896 0.00052 97 3PX -0.00070 0.00644 0.01813 -0.00261 0.00417 98 3PY 0.00436 -0.00489 -0.01459 -0.01038 -0.00218 99 3PZ 0.00016 0.00087 0.00480 -0.00003 -0.01525 100 4XX -0.00059 0.00129 0.00286 0.00240 0.00212 101 4YY 0.00021 -0.00028 -0.00063 -0.00052 -0.00050 102 4ZZ 0.00004 0.00010 0.00015 0.00000 -0.00105 103 4XY -0.00087 0.00189 0.00290 0.00280 0.00053 104 4XZ -0.00020 0.00040 0.00164 0.00106 -0.00436 105 4YZ -0.00014 0.00029 -0.00003 0.00025 0.00290 106 8 H 1S -0.00417 0.00951 0.01219 0.01240 0.00310 107 2S -0.00653 0.01355 0.02471 0.02281 0.00523 108 9 H 1S 0.00636 -0.01358 -0.00674 -0.02314 -0.00292 109 2S 0.00813 -0.01463 -0.01067 -0.04826 -0.00565 110 10 H 1S -0.03027 0.05723 -0.12917 0.02867 -0.01982 111 2S -0.00709 0.01325 -0.11726 0.02602 -0.01797 112 11 H 1S 0.00634 -0.01354 0.00295 0.02392 0.00221 113 2S 0.00812 -0.01458 0.00920 0.04868 0.00531 114 12 H 1S -0.00412 0.00943 0.00621 -0.01634 -0.00008 115 2S -0.00667 0.01391 0.01391 -0.03218 -0.00016 116 13 C 1S -0.00010 0.00027 -0.00032 -0.00022 0.00371 117 2S 0.00027 -0.00068 0.00033 0.00023 -0.00708 118 2PX -0.00053 0.00132 -0.00043 -0.00023 0.01082 119 2PY 0.00128 -0.00297 -0.00268 -0.00111 0.00161 120 2PZ 0.00044 -0.00114 0.00004 0.00036 -0.00570 121 3S 0.00022 -0.00075 0.00348 -0.00027 -0.03134 122 3PX -0.00039 0.00097 0.00121 -0.00187 -0.00136 123 3PY 0.00128 -0.00296 -0.00294 -0.00016 0.00248 124 3PZ 0.00011 -0.00038 0.00021 -0.00302 -0.00615 125 4XX -0.00002 0.00006 -0.00008 -0.00020 0.00068 126 4YY 0.00001 -0.00003 0.00006 0.00013 -0.00032 127 4ZZ 0.00001 -0.00002 -0.00012 -0.00016 0.00018 128 4XY 0.00001 -0.00005 -0.00009 0.00000 -0.00022 129 4XZ 0.00002 -0.00003 -0.00004 0.00006 0.00020 130 4YZ -0.00002 0.00005 0.00006 0.00001 0.00019 131 14 C 1S 0.00005 -0.00013 0.00004 0.00009 -0.00100 132 2S -0.00012 0.00023 -0.00007 -0.00026 0.00122 133 2PX 0.00024 -0.00055 0.00041 0.00034 -0.00560 134 2PY -0.00000 0.00005 0.00006 0.00005 -0.00101 135 2PZ -0.00000 -0.00006 0.00022 0.00014 -0.00189 136 3S -0.00009 0.00027 -0.00167 0.00121 0.01294 137 3PX 0.00009 -0.00028 0.00079 -0.00037 -0.00932 138 3PY 0.00004 -0.00013 0.00006 0.00030 -0.00266 139 3PZ 0.00014 -0.00028 0.00063 0.00038 -0.00364 140 4XX 0.00002 -0.00005 -0.00002 0.00009 -0.00006 141 4YY 0.00001 -0.00003 -0.00002 0.00001 -0.00019 142 4ZZ -0.00002 0.00004 0.00001 -0.00001 0.00001 143 4XY -0.00006 0.00015 0.00013 0.00005 0.00007 144 4XZ -0.00003 0.00006 0.00000 -0.00004 0.00022 145 4YZ -0.00001 0.00003 0.00003 0.00001 0.00002 146 15 H 1S -0.00005 0.00015 0.00027 0.00013 -0.00098 147 2S -0.00009 0.00030 0.00092 0.00024 -0.00194 148 16 H 1S -0.00015 0.00029 0.00022 0.00002 -0.00016 149 2S -0.00034 0.00076 0.00027 -0.00031 0.00268 150 17 H 1S 0.00025 -0.00062 -0.00037 -0.00012 -0.00094 151 2S 0.00059 -0.00139 -0.00063 0.00016 -0.00289 152 18 H 1S 0.00012 -0.00023 -0.00032 -0.00031 -0.00046 153 2S -0.00016 0.00039 -0.00087 -0.00243 0.00670 154 19 H 1S 0.00000 -0.00012 -0.00258 -0.00115 0.01200 155 2S -0.00038 0.00087 -0.00255 -0.00250 0.02003 156 20 H 1S 0.00049 -0.00126 -0.00064 0.00073 -0.00213 157 2S 0.00021 -0.00056 0.00061 -0.00015 -0.00480 66 67 68 69 70 66 3S 0.11262 67 3PX -0.01091 0.02086 68 3PY 0.00255 0.00176 0.02443 69 3PZ -0.00146 -0.00912 -0.00366 0.07544 70 4XX 0.00228 -0.00210 0.00123 -0.00096 0.00086 71 4YY -0.00238 0.00129 -0.00105 0.00022 -0.00044 72 4ZZ -0.00545 0.00056 -0.00013 0.00068 -0.00003 73 4XY -0.00131 0.00139 0.00158 0.00030 -0.00014 74 4XZ 0.00146 -0.00085 0.00023 0.00215 0.00013 75 4YZ 0.00003 0.00036 0.00027 -0.00054 -0.00007 76 6 C 1S 0.00265 -0.00188 -0.00476 -0.00066 -0.00053 77 2S 0.01104 0.01325 0.01179 0.00318 0.00059 78 2PX -0.03430 -0.00778 -0.03829 -0.01569 0.00557 79 2PY -0.05874 -0.02033 -0.02148 -0.01004 -0.00268 80 2PZ -0.01035 -0.01469 -0.01247 0.06523 -0.00040 81 3S -0.00366 0.01399 0.00307 0.00110 -0.00090 82 3PX -0.00326 0.00000 -0.01441 -0.00952 0.00151 83 3PY -0.01480 -0.00506 -0.00195 -0.00400 -0.00032 84 3PZ -0.00183 -0.00822 -0.00544 0.04335 -0.00050 85 4XX 0.00135 -0.00157 0.00029 0.00068 0.00046 86 4YY -0.00008 0.00057 -0.00109 0.00038 -0.00051 87 4ZZ -0.00091 -0.00036 -0.00018 -0.00139 0.00000 88 4XY 0.00533 0.00042 0.00176 0.00097 0.00001 89 4XZ 0.00083 0.00035 0.00051 -0.00305 0.00009 90 4YZ 0.00098 0.00066 0.00045 -0.00275 -0.00000 91 7 C 1S -0.00384 -0.00253 0.00378 -0.00017 -0.00103 92 2S -0.00255 -0.00099 -0.00798 -0.00092 0.00235 93 2PX 0.02029 0.00240 0.02020 0.00454 -0.00554 94 2PY 0.02082 0.00529 0.00839 0.00307 0.00058 95 2PZ 0.00420 0.00247 0.00567 -0.01384 -0.00156 96 3S 0.00592 -0.00543 0.00132 0.00196 0.00244 97 3PX 0.00847 0.00429 0.00312 0.00245 -0.00198 98 3PY 0.00105 -0.00200 -0.00146 0.00104 0.00084 99 3PZ 0.00108 0.00269 0.00197 -0.01527 -0.00068 100 4XX 0.00141 0.00083 0.00047 0.00117 0.00006 101 4YY -0.00080 -0.00035 0.00052 -0.00030 -0.00021 102 4ZZ 0.00001 -0.00001 0.00015 -0.00067 -0.00007 103 4XY 0.00254 0.00102 0.00163 0.00012 -0.00007 104 4XZ 0.00047 0.00082 0.00041 -0.00301 0.00006 105 4YZ 0.00038 -0.00021 0.00015 0.00227 -0.00003 106 8 H 1S 0.02020 0.00562 0.01310 0.00210 -0.00134 107 2S 0.01948 0.00801 0.01738 0.00197 -0.00189 108 9 H 1S -0.02622 -0.00390 -0.00566 -0.00119 -0.00310 109 2S -0.02372 -0.00488 -0.01240 -0.00202 -0.00341 110 10 H 1S 0.05216 -0.04050 0.00901 -0.00626 0.00743 111 2S 0.01673 -0.03240 0.00717 -0.00502 0.00703 112 11 H 1S -0.02592 -0.00126 0.00697 0.00028 -0.00177 113 2S -0.02341 0.00042 0.01372 0.00124 -0.00117 114 12 H 1S 0.02002 -0.00001 -0.01414 -0.00096 -0.00103 115 2S 0.01955 0.00069 -0.01881 -0.00151 -0.00188 116 13 C 1S -0.00001 -0.00093 0.00012 0.00307 -0.00002 117 2S -0.00035 0.00157 0.00065 -0.00593 0.00006 118 2PX 0.00056 -0.00266 -0.00106 0.00944 -0.00009 119 2PY 0.00379 0.00018 0.00242 0.00061 0.00049 120 2PZ 0.00141 0.00173 0.00306 -0.00519 0.00006 121 3S 0.00024 0.00423 0.00170 -0.02463 0.00001 122 3PX -0.00030 -0.00047 -0.00122 -0.00045 -0.00011 123 3PY 0.00255 0.00027 0.00257 0.00092 0.00036 124 3PZ 0.00153 0.00097 0.00065 -0.00501 0.00001 125 4XX 0.00021 -0.00017 -0.00012 0.00055 0.00002 126 4YY -0.00005 0.00004 0.00006 -0.00029 -0.00001 127 4ZZ -0.00019 -0.00002 -0.00018 0.00022 -0.00001 128 4XY -0.00006 -0.00002 -0.00005 -0.00019 0.00001 129 4XZ -0.00007 -0.00006 -0.00003 0.00017 -0.00000 130 4YZ 0.00009 -0.00003 0.00003 0.00014 0.00000 131 14 C 1S -0.00017 0.00030 0.00001 -0.00079 -0.00002 132 2S 0.00078 -0.00025 -0.00023 0.00108 0.00004 133 2PX -0.00136 0.00127 -0.00001 -0.00479 -0.00005 134 2PY -0.00041 -0.00021 -0.00016 -0.00083 -0.00003 135 2PZ 0.00091 0.00092 0.00032 -0.00136 0.00000 136 3S 0.00152 -0.00163 -0.00023 0.00995 0.00022 137 3PX -0.00095 0.00124 0.00003 -0.00733 -0.00006 138 3PY -0.00031 0.00007 0.00009 -0.00207 0.00001 139 3PZ 0.00018 0.00086 0.00038 -0.00288 0.00001 140 4XX 0.00000 0.00003 0.00010 -0.00007 0.00000 141 4YY -0.00006 0.00002 0.00002 -0.00017 -0.00000 142 4ZZ -0.00003 0.00000 -0.00007 0.00004 -0.00001 143 4XY -0.00016 -0.00004 -0.00010 0.00009 -0.00003 144 4XZ 0.00004 -0.00005 -0.00009 0.00021 0.00000 145 4YZ 0.00005 0.00002 -0.00000 0.00003 0.00000 146 15 H 1S -0.00091 -0.00012 -0.00028 -0.00088 -0.00007 147 2S -0.00128 0.00019 -0.00019 -0.00163 -0.00016 148 16 H 1S 0.00049 0.00035 -0.00028 0.00007 -0.00002 149 2S 0.00010 -0.00006 -0.00081 0.00245 -0.00010 150 17 H 1S 0.00035 0.00045 0.00036 -0.00097 0.00008 151 2S 0.00042 0.00080 0.00111 -0.00271 0.00012 152 18 H 1S -0.00091 0.00007 -0.00112 -0.00019 0.00001 153 2S -0.00062 -0.00092 -0.00213 0.00581 -0.00011 154 19 H 1S -0.00098 -0.00075 -0.00128 0.01109 0.00001 155 2S -0.00124 -0.00194 -0.00203 0.01689 -0.00029 156 20 H 1S 0.00049 0.00034 -0.00056 -0.00218 -0.00003 157 2S 0.00135 0.00063 0.00000 -0.00461 -0.00040 71 72 73 74 75 71 4YY 0.00060 72 4ZZ 0.00014 0.00045 73 4XY 0.00007 0.00005 0.00058 74 4XZ -0.00012 -0.00005 -0.00001 0.00016 75 4YZ 0.00001 0.00004 0.00004 0.00003 0.00035 76 6 C 1S -0.00118 0.00082 -0.00277 -0.00049 -0.00064 77 2S 0.00147 -0.00194 0.00551 0.00093 0.00123 78 2PX -0.00288 0.00153 -0.00265 -0.00013 -0.00164 79 2PY 0.00504 0.00219 -0.00428 -0.00162 -0.00086 80 2PZ -0.00073 0.00219 -0.00184 0.00367 0.00432 81 3S 0.00216 -0.00098 0.00505 0.00043 0.00122 82 3PX -0.00078 0.00012 -0.00142 -0.00029 -0.00085 83 3PY 0.00136 0.00051 -0.00087 -0.00043 -0.00032 84 3PZ -0.00048 0.00126 -0.00108 0.00239 0.00327 85 4XX -0.00034 -0.00004 -0.00008 0.00009 -0.00010 86 4YY 0.00045 -0.00006 -0.00008 -0.00008 0.00003 87 4ZZ -0.00009 0.00013 -0.00021 -0.00006 0.00000 88 4XY -0.00016 -0.00020 0.00010 0.00007 0.00000 89 4XZ -0.00009 -0.00002 -0.00000 0.00003 0.00019 90 4YZ 0.00002 -0.00008 0.00003 -0.00011 0.00002 91 7 C 1S 0.00067 0.00005 -0.00019 -0.00023 0.00002 92 2S -0.00134 0.00007 0.00026 0.00047 -0.00008 93 2PX 0.00273 -0.00026 -0.00115 -0.00160 -0.00086 94 2PY -0.00043 -0.00005 -0.00006 -0.00008 -0.00044 95 2PZ -0.00023 0.00132 -0.00126 0.00198 0.00489 96 3S -0.00200 0.00004 0.00086 0.00057 -0.00004 97 3PX 0.00108 -0.00018 -0.00016 -0.00061 -0.00046 98 3PY -0.00027 0.00008 -0.00084 -0.00008 -0.00058 99 3PZ -0.00031 0.00087 -0.00083 0.00121 0.00357 100 4XX -0.00004 -0.00005 0.00020 0.00008 0.00008 101 4YY 0.00014 0.00002 -0.00009 -0.00006 -0.00001 102 4ZZ 0.00004 -0.00000 -0.00003 -0.00006 -0.00004 103 4XY -0.00010 -0.00005 0.00008 0.00001 0.00001 104 4XZ -0.00000 -0.00008 0.00009 -0.00012 -0.00013 105 4YZ -0.00002 0.00000 -0.00000 0.00001 0.00006 106 8 H 1S 0.00021 -0.00012 -0.00007 -0.00025 -0.00000 107 2S 0.00045 -0.00023 0.00054 -0.00025 0.00024 108 9 H 1S 0.00457 0.00030 -0.00019 -0.00069 0.00032 109 2S 0.00405 0.00048 -0.00171 -0.00091 -0.00000 110 10 H 1S -0.00471 -0.00283 -0.00323 0.00182 -0.00068 111 2S -0.00428 -0.00097 -0.00298 0.00138 -0.00077 112 11 H 1S 0.00313 0.00041 0.00343 -0.00017 0.00082 113 2S 0.00162 0.00067 0.00438 -0.00002 0.00084 114 12 H 1S -0.00011 -0.00009 0.00074 -0.00013 0.00012 115 2S 0.00042 -0.00025 0.00068 -0.00027 0.00017 116 13 C 1S 0.00002 -0.00001 -0.00003 -0.00004 -0.00004 117 2S -0.00005 0.00003 0.00008 0.00009 0.00011 118 2PX 0.00006 -0.00005 -0.00008 -0.00017 -0.00015 119 2PY -0.00020 0.00013 -0.00014 0.00021 0.00044 120 2PZ -0.00005 0.00000 0.00015 0.00011 0.00007 121 3S 0.00000 -0.00002 0.00023 -0.00007 -0.00000 122 3PX -0.00002 0.00004 -0.00009 -0.00003 0.00034 123 3PY -0.00015 0.00013 -0.00012 0.00025 0.00040 124 3PZ 0.00001 -0.00003 0.00015 -0.00001 -0.00005 125 4XX -0.00001 -0.00000 -0.00001 -0.00000 -0.00002 126 4YY 0.00001 0.00000 -0.00000 0.00000 0.00001 127 4ZZ 0.00000 0.00000 0.00001 -0.00000 0.00001 128 4XY -0.00001 0.00000 -0.00000 0.00001 0.00000 129 4XZ 0.00000 0.00000 -0.00000 -0.00000 0.00001 130 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 131 14 C 1S 0.00001 -0.00000 0.00002 0.00001 0.00002 132 2S -0.00001 -0.00001 -0.00003 -0.00002 -0.00003 133 2PX 0.00002 0.00002 0.00004 0.00006 0.00008 134 2PY 0.00003 0.00000 0.00001 -0.00001 -0.00004 135 2PZ 0.00000 -0.00000 0.00000 0.00001 0.00001 136 3S -0.00007 -0.00004 -0.00012 0.00001 -0.00035 137 3PX 0.00001 0.00002 0.00005 0.00001 0.00016 138 3PY -0.00000 0.00002 -0.00002 0.00000 0.00006 139 3PZ -0.00002 0.00002 -0.00003 0.00003 0.00014 140 4XX -0.00000 0.00000 0.00000 0.00000 0.00001 141 4YY 0.00000 0.00000 -0.00000 0.00000 0.00000 142 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 143 4XY 0.00001 -0.00001 0.00001 -0.00001 -0.00002 144 4XZ 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 145 4YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 146 15 H 1S 0.00004 -0.00001 0.00003 -0.00001 -0.00004 147 2S 0.00008 -0.00002 0.00009 -0.00003 -0.00006 148 16 H 1S 0.00001 -0.00001 -0.00001 -0.00001 -0.00003 149 2S 0.00005 -0.00003 0.00004 -0.00005 -0.00011 150 17 H 1S -0.00004 0.00002 -0.00002 0.00005 0.00010 151 2S -0.00005 0.00006 -0.00004 0.00010 0.00025 152 18 H 1S 0.00001 0.00003 -0.00002 0.00001 0.00008 153 2S 0.00007 -0.00002 0.00005 -0.00008 -0.00005 154 19 H 1S 0.00000 -0.00005 0.00013 -0.00010 -0.00001 155 2S 0.00005 0.00001 0.00023 -0.00001 0.00025 156 20 H 1S 0.00009 0.00000 -0.00027 0.00003 0.00007 157 2S 0.00025 0.00003 -0.00027 0.00000 0.00029 76 77 78 79 80 76 6 C 1S 1.02637 77 2S -0.03170 0.16469 78 2PX -0.00008 0.00064 0.20966 79 2PY -0.00014 -0.00301 -0.00069 0.21092 80 2PZ -0.00003 -0.00014 0.00760 0.00325 0.16637 81 3S -0.08523 0.13101 0.00497 0.00220 0.00211 82 3PX 0.00046 -0.00413 0.06670 0.00062 -0.00667 83 3PY -0.00100 0.01121 -0.00298 0.06131 -0.00365 84 3PZ -0.00002 0.00012 -0.00774 -0.00354 0.11070 85 4XX -0.00833 -0.00195 0.00551 -0.00321 0.00032 86 4YY -0.01012 0.00113 -0.00669 0.00740 -0.00015 87 4ZZ -0.00571 -0.00783 0.00005 -0.00053 -0.00009 88 4XY 0.00078 -0.00133 -0.00477 -0.00739 -0.00086 89 4XZ -0.00047 0.00108 0.00052 -0.00119 0.00131 90 4YZ -0.00025 0.00054 -0.00077 -0.00033 -0.00372 91 7 C 1S 0.00855 -0.01735 -0.03846 0.00913 -0.00577 92 2S -0.01743 0.03061 0.08101 -0.01662 0.01214 93 2PX 0.03882 -0.07904 -0.14514 0.03480 -0.04062 94 2PY -0.00813 0.01820 0.03646 0.00120 -0.00194 95 2PZ 0.00595 -0.01219 -0.04006 -0.00193 0.10157 96 3S 0.00503 0.00743 0.04244 -0.03157 0.00584 97 3PX 0.00440 -0.01730 -0.03640 0.00567 -0.01610 98 3PY -0.00394 0.00377 0.03323 0.01269 -0.00124 99 3PZ 0.00049 -0.00280 -0.01559 -0.00329 0.06717 100 4XX -0.00300 0.00535 0.00151 -0.00324 0.00176 101 4YY 0.00134 -0.00335 -0.00531 0.00362 -0.00083 102 4ZZ 0.00083 -0.00197 -0.00244 0.00097 -0.00190 103 4XY 0.00122 -0.00222 -0.00259 -0.00543 -0.00068 104 4XZ -0.00067 0.00129 0.00164 -0.00080 -0.00562 105 4YZ 0.00024 -0.00048 -0.00093 -0.00081 0.00138 106 8 H 1S 0.00641 -0.01363 -0.02302 -0.00522 -0.00461 107 2S 0.00833 -0.01527 -0.04740 -0.01279 -0.00737 108 9 H 1S -0.03018 0.05718 -0.04072 0.12765 0.00246 109 2S -0.00714 0.01347 -0.03563 0.11571 0.00231 110 10 H 1S 0.00639 -0.01359 0.02191 0.00903 0.00440 111 2S 0.00827 -0.01489 0.04506 0.01562 0.00876 112 11 H 1S -0.00414 0.00969 -0.01088 -0.01364 -0.00271 113 2S -0.00691 0.01481 -0.01986 -0.02925 -0.00513 114 12 H 1S -0.00053 0.00126 0.00105 -0.00207 -0.00004 115 2S 0.00102 -0.00171 -0.00168 0.00010 -0.00014 116 13 C 1S 0.00014 -0.00043 -0.00059 0.00017 -0.00018 117 2S -0.00045 0.00096 0.00161 -0.00034 0.00131 118 2PX 0.00059 -0.00076 -0.00201 0.00062 -0.00269 119 2PY -0.00108 0.00175 0.00349 -0.00136 0.00963 120 2PZ -0.00048 0.00066 0.00127 -0.00059 0.00115 121 3S -0.00034 0.00044 0.00478 0.00120 -0.00878 122 3PX -0.00020 0.00049 0.00121 0.00010 0.00389 123 3PY -0.00053 0.00060 0.00081 -0.00097 0.01015 124 3PZ -0.00068 0.00091 0.00472 0.00063 -0.00196 125 4XX -0.00015 0.00031 0.00069 -0.00006 -0.00006 126 4YY 0.00010 -0.00024 -0.00048 0.00006 -0.00000 127 4ZZ -0.00002 0.00000 0.00003 0.00009 0.00013 128 4XY -0.00005 0.00012 0.00029 -0.00001 0.00009 129 4XZ 0.00005 -0.00011 -0.00026 0.00003 0.00010 130 4YZ -0.00004 0.00009 0.00011 -0.00008 0.00012 131 14 C 1S 0.00008 -0.00023 -0.00047 0.00012 0.00011 132 2S -0.00015 0.00046 0.00101 -0.00005 -0.00027 133 2PX 0.00015 -0.00072 -0.00101 0.00011 0.00081 134 2PY 0.00021 -0.00036 -0.00055 0.00035 -0.00074 135 2PZ 0.00004 0.00003 -0.00009 0.00013 -0.00008 136 3S -0.00032 0.00111 0.00107 -0.00137 -0.00110 137 3PX 0.00006 -0.00038 0.00041 0.00063 0.00006 138 3PY 0.00010 -0.00021 -0.00029 0.00026 0.00018 139 3PZ -0.00000 0.00001 -0.00038 -0.00020 0.00141 140 4XX 0.00001 -0.00001 -0.00010 -0.00004 0.00010 141 4YY 0.00002 -0.00005 -0.00006 0.00004 0.00004 142 4ZZ 0.00002 -0.00003 -0.00004 0.00005 -0.00009 143 4XY 0.00007 -0.00012 -0.00027 0.00008 -0.00050 144 4XZ 0.00000 0.00001 0.00005 0.00002 -0.00011 145 4YZ -0.00001 0.00003 0.00005 -0.00003 -0.00002 146 15 H 1S 0.00018 -0.00044 -0.00077 0.00024 -0.00089 147 2S 0.00036 -0.00084 -0.00190 0.00037 -0.00178 148 16 H 1S 0.00008 0.00000 -0.00006 0.00014 -0.00064 149 2S 0.00022 -0.00026 -0.00068 0.00032 -0.00175 150 17 H 1S -0.00028 0.00036 0.00088 -0.00037 0.00206 151 2S -0.00020 0.00002 -0.00005 -0.00025 0.00415 152 18 H 1S 0.00006 -0.00011 -0.00025 0.00029 0.00106 153 2S 0.00008 -0.00031 0.00023 0.00085 -0.00035 154 19 H 1S -0.00022 0.00051 0.00092 -0.00005 -0.00006 155 2S 0.00015 -0.00036 -0.00215 -0.00055 0.00709 156 20 H 1S 0.00160 -0.00372 -0.00607 0.00156 0.00103 157 2S 0.00313 -0.00709 -0.01533 0.00452 0.00243 81 82 83 84 85 81 3S 0.12002 82 3PX 0.00048 0.02554 83 3PY 0.00867 -0.00043 0.02021 84 3PZ 0.00165 -0.00784 -0.00356 0.07557 85 4XX -0.00219 0.00139 -0.00092 -0.00009 0.00058 86 4YY 0.00202 -0.00169 0.00200 0.00015 -0.00041 87 4ZZ -0.00560 0.00023 -0.00070 -0.00005 0.00014 88 4XY -0.00183 -0.00114 -0.00195 -0.00005 0.00009 89 4XZ 0.00074 0.00011 -0.00028 0.00087 -0.00000 90 4YZ 0.00036 0.00004 0.00006 -0.00228 -0.00005 91 7 C 1S 0.00325 -0.00549 -0.00117 -0.00094 -0.00307 92 2S 0.01073 0.01801 -0.00535 0.00229 0.00531 93 2PX -0.07597 -0.04249 0.00759 -0.01926 -0.00152 94 2PY 0.00395 0.01740 0.00868 -0.00236 0.00261 95 2PZ -0.00922 -0.01614 -0.00377 0.06860 -0.00184 96 3S -0.01152 0.00314 -0.00947 0.00073 0.00512 97 3PX -0.01323 -0.00785 0.00124 -0.00805 -0.00040 98 3PY -0.00219 0.01145 0.00445 -0.00426 0.00151 99 3PZ -0.00039 -0.00729 -0.00346 0.04499 -0.00122 100 4XX 0.00470 0.00068 -0.00041 0.00129 0.00003 101 4YY -0.00356 -0.00199 0.00085 -0.00044 -0.00010 102 4ZZ -0.00095 -0.00038 0.00029 -0.00109 -0.00020 103 4XY -0.00356 -0.00095 -0.00138 -0.00020 0.00019 104 4XZ 0.00081 0.00081 0.00000 -0.00391 0.00005 105 4YZ -0.00091 -0.00054 -0.00024 0.00124 0.00009 106 8 H 1S -0.02846 -0.00719 0.00133 -0.00162 0.00243 107 2S -0.02605 -0.01368 0.00054 -0.00056 0.00079 108 9 H 1S 0.05027 -0.01356 0.04090 0.00080 -0.00407 109 2S 0.01467 -0.01038 0.03315 0.00065 -0.00366 110 10 H 1S -0.02728 0.00461 0.00506 0.00123 0.00441 111 2S -0.02472 0.01106 0.00683 0.00250 0.00417 112 11 H 1S 0.01793 -0.01277 -0.00556 -0.00243 0.00020 113 2S 0.01787 -0.01666 -0.00876 -0.00316 0.00031 114 12 H 1S 0.00739 0.00091 -0.00033 0.00002 -0.00026 115 2S 0.00765 0.00088 -0.00191 0.00046 -0.00073 116 13 C 1S 0.00101 0.00056 -0.00060 -0.00002 0.00016 117 2S 0.00012 0.00071 0.00151 0.00117 -0.00027 118 2PX -0.00249 -0.00253 -0.00108 -0.00362 0.00028 119 2PY 0.01527 0.01220 0.01022 0.01546 -0.00010 120 2PZ 0.00541 0.00654 0.00453 0.00389 -0.00014 121 3S 0.00129 0.00378 0.00349 -0.00568 -0.00056 122 3PX -0.00175 -0.00190 -0.00193 0.00068 -0.00000 123 3PY 0.01048 0.00888 0.00871 0.01464 -0.00007 124 3PZ 0.00435 0.00564 0.00364 0.00088 -0.00004 125 4XX 0.00087 0.00056 -0.00004 -0.00002 0.00002 126 4YY -0.00045 -0.00029 0.00003 0.00004 -0.00000 127 4ZZ -0.00039 -0.00035 -0.00012 -0.00005 -0.00000 128 4XY 0.00007 0.00003 -0.00004 -0.00001 -0.00001 129 4XZ -0.00032 -0.00028 0.00003 0.00007 0.00000 130 4YZ 0.00031 0.00018 -0.00001 0.00010 0.00000 131 14 C 1S -0.00090 -0.00052 0.00002 0.00010 -0.00002 132 2S 0.00062 0.00060 0.00026 -0.00032 0.00003 133 2PX -0.00122 -0.00116 -0.00137 0.00083 -0.00009 134 2PY -0.00191 -0.00137 -0.00008 -0.00147 -0.00002 135 2PZ -0.00245 -0.00057 0.00153 -0.00015 -0.00007 136 3S 0.00328 0.00186 -0.00016 -0.00042 0.00023 137 3PX -0.00112 -0.00058 -0.00055 -0.00023 -0.00015 138 3PY -0.00065 -0.00054 0.00003 -0.00025 -0.00006 139 3PZ -0.00107 -0.00035 0.00081 0.00105 -0.00011 140 4XX 0.00012 0.00010 0.00015 0.00017 -0.00001 141 4YY 0.00006 0.00002 -0.00004 0.00009 -0.00000 142 4ZZ -0.00035 -0.00026 -0.00010 -0.00021 0.00000 143 4XY -0.00076 -0.00061 -0.00043 -0.00076 0.00001 144 4XZ -0.00015 -0.00013 -0.00007 -0.00018 0.00000 145 4YZ -0.00002 0.00001 -0.00000 -0.00003 0.00000 146 15 H 1S -0.00117 -0.00135 -0.00143 -0.00146 0.00001 147 2S -0.00272 -0.00243 -0.00177 -0.00245 -0.00002 148 16 H 1S -0.00271 -0.00144 0.00008 -0.00133 -0.00001 149 2S -0.00436 -0.00295 -0.00105 -0.00286 0.00006 150 17 H 1S 0.00320 0.00236 0.00090 0.00322 -0.00003 151 2S 0.00441 0.00346 0.00273 0.00618 -0.00011 152 18 H 1S -0.00232 -0.00255 -0.00059 0.00028 -0.00006 153 2S -0.00374 -0.00312 -0.00093 -0.00085 0.00015 154 19 H 1S -0.00427 -0.00245 -0.00054 -0.00121 0.00025 155 2S -0.00685 -0.00568 -0.00222 0.00333 0.00037 156 20 H 1S -0.00874 -0.00484 0.00254 0.00214 -0.00003 157 2S -0.00885 -0.00610 0.00417 0.00491 -0.00028 86 87 88 89 90 86 4YY 0.00084 87 4ZZ -0.00005 0.00047 88 4XY -0.00019 0.00008 0.00063 89 4XZ -0.00009 0.00005 0.00001 0.00033 90 4YZ 0.00003 0.00001 0.00006 0.00006 0.00015 91 7 C 1S 0.00140 0.00084 0.00109 -0.00070 0.00023 92 2S -0.00335 -0.00199 -0.00234 0.00130 -0.00049 93 2PX 0.00471 0.00286 0.00393 -0.00173 0.00098 94 2PY -0.00357 -0.00033 0.00545 0.00048 0.00073 95 2PZ 0.00068 0.00214 0.00074 0.00585 -0.00094 96 3S -0.00367 -0.00089 -0.00102 0.00088 -0.00046 97 3PX 0.00148 0.00052 0.00108 -0.00074 0.00034 98 3PY -0.00156 -0.00007 0.00123 -0.00001 0.00013 99 3PZ 0.00019 0.00133 0.00004 0.00425 -0.00046 100 4XX -0.00014 -0.00021 0.00018 0.00005 -0.00001 101 4YY 0.00028 0.00012 -0.00003 -0.00002 0.00001 102 4ZZ 0.00011 0.00013 0.00008 -0.00007 0.00005 103 4XY -0.00024 0.00012 0.00051 0.00008 0.00005 104 4XZ -0.00009 -0.00003 0.00003 0.00005 0.00014 105 4YZ -0.00002 -0.00004 0.00010 -0.00015 -0.00002 106 8 H 1S -0.00119 0.00051 0.00397 0.00065 0.00054 107 2S -0.00035 0.00072 0.00442 0.00043 0.00067 108 9 H 1S 0.00706 -0.00312 -0.00456 -0.00052 0.00009 109 2S 0.00663 -0.00124 -0.00420 -0.00078 -0.00005 110 10 H 1S -0.00314 0.00050 0.00066 0.00084 -0.00018 111 2S -0.00371 0.00069 -0.00085 0.00063 -0.00051 112 11 H 1S -0.00141 -0.00005 0.00014 0.00006 -0.00009 113 2S -0.00190 -0.00019 0.00081 0.00016 -0.00001 114 12 H 1S 0.00057 0.00002 -0.00032 -0.00009 -0.00001 115 2S 0.00153 -0.00006 -0.00100 -0.00020 -0.00004 116 13 C 1S 0.00000 -0.00010 0.00004 -0.00027 -0.00003 117 2S -0.00003 0.00015 -0.00014 0.00059 0.00002 118 2PX 0.00005 -0.00015 0.00031 -0.00092 -0.00005 119 2PY -0.00002 -0.00017 -0.00056 -0.00005 -0.00012 120 2PZ -0.00005 0.00001 -0.00019 0.00041 0.00005 121 3S -0.00012 0.00056 -0.00027 0.00189 0.00040 122 3PX -0.00005 0.00009 0.00017 0.00022 0.00004 123 3PY 0.00005 -0.00015 -0.00056 0.00003 -0.00017 124 3PZ -0.00010 -0.00000 -0.00005 0.00027 0.00011 125 4XX -0.00003 -0.00002 0.00003 -0.00006 -0.00000 126 4YY 0.00002 0.00001 -0.00002 0.00003 0.00000 127 4ZZ 0.00001 -0.00000 -0.00001 -0.00001 -0.00000 128 4XY -0.00001 0.00000 -0.00001 0.00002 -0.00000 129 4XZ 0.00001 0.00000 -0.00001 -0.00001 -0.00000 130 4YZ -0.00001 -0.00000 0.00002 -0.00001 -0.00000 131 14 C 1S 0.00003 0.00002 -0.00004 0.00008 0.00000 132 2S -0.00005 -0.00001 0.00009 -0.00012 0.00000 133 2PX 0.00006 0.00007 -0.00020 0.00047 0.00003 134 2PY 0.00004 0.00005 -0.00003 0.00008 0.00001 135 2PZ -0.00001 0.00007 -0.00001 0.00014 0.00001 136 3S -0.00010 -0.00025 0.00019 -0.00094 -0.00015 137 3PX 0.00001 0.00017 -0.00014 0.00067 0.00010 138 3PY 0.00001 0.00008 -0.00006 0.00019 0.00003 139 3PZ 0.00001 0.00009 -0.00010 0.00032 0.00002 140 4XX 0.00000 0.00000 -0.00001 0.00001 -0.00000 141 4YY 0.00000 0.00000 -0.00001 0.00001 0.00000 142 4ZZ 0.00000 0.00000 0.00001 -0.00000 0.00000 143 4XY 0.00001 0.00001 0.00003 -0.00001 0.00000 144 4XZ -0.00000 -0.00000 0.00001 -0.00002 -0.00000 145 4YZ -0.00000 0.00000 0.00001 -0.00000 0.00000 146 15 H 1S 0.00004 0.00002 -0.00000 0.00007 0.00002 147 2S 0.00008 0.00004 -0.00000 0.00013 0.00004 148 16 H 1S -0.00002 0.00004 0.00006 0.00001 0.00001 149 2S -0.00000 -0.00001 0.00018 -0.00021 -0.00001 150 17 H 1S -0.00002 -0.00003 -0.00012 0.00009 -0.00001 151 2S 0.00004 -0.00000 -0.00031 0.00027 -0.00002 152 18 H 1S 0.00005 0.00004 -0.00009 0.00007 -0.00003 153 2S 0.00007 -0.00015 0.00008 -0.00055 -0.00006 154 19 H 1S -0.00002 -0.00032 0.00013 -0.00099 -0.00009 155 2S 0.00003 -0.00037 0.00038 -0.00119 -0.00022 156 20 H 1S 0.00035 0.00006 -0.00056 0.00015 -0.00005 157 2S 0.00090 0.00017 -0.00095 0.00035 -0.00005 91 92 93 94 95 91 7 C 1S 1.02646 92 2S -0.03155 0.16401 93 2PX -0.00055 -0.00252 0.21049 94 2PY -0.00006 -0.00077 0.00037 0.21035 95 2PZ -0.00007 -0.00037 0.00713 0.00270 0.16764 96 3S -0.08770 0.13396 0.02441 -0.01783 -0.00104 97 3PX -0.00125 0.00841 0.06171 -0.00044 -0.00560 98 3PY 0.00027 0.00833 -0.00873 0.07835 -0.00488 99 3PZ -0.00022 0.00232 -0.00913 -0.00196 0.11251 100 4XX -0.00909 -0.00057 -0.00442 0.00526 0.00031 101 4YY -0.00938 -0.00028 0.00732 -0.00282 0.00138 102 4ZZ -0.00576 -0.00772 -0.00022 0.00037 -0.00109 103 4XY -0.00111 0.00182 0.00527 0.00794 0.00212 104 4XZ -0.00076 0.00161 0.00009 0.00185 -0.00232 105 4YZ -0.00049 0.00091 0.00202 0.00129 -0.00232 106 8 H 1S -0.03013 0.05692 0.08796 0.09908 0.02143 107 2S -0.00675 0.01213 0.07843 0.08501 0.02039 108 9 H 1S 0.00647 -0.01385 0.01846 -0.01444 0.00216 109 2S 0.00843 -0.01531 0.03489 -0.03046 0.00397 110 10 H 1S -0.00413 0.00954 -0.01705 0.00258 -0.00264 111 2S -0.00692 0.01466 -0.03375 0.00226 -0.00567 112 11 H 1S -0.00041 0.00064 -0.00151 -0.00170 -0.00034 113 2S 0.00078 -0.00130 -0.00152 -0.00124 -0.00033 114 12 H 1S -0.00391 0.00872 0.00415 -0.01669 -0.00053 115 2S -0.00733 0.01464 0.00908 -0.03946 -0.00149 116 13 C 1S -0.00072 0.00174 0.00296 0.00007 -0.00456 117 2S 0.00169 -0.00382 -0.00732 -0.00082 0.00968 118 2PX -0.00253 0.00617 0.01093 0.00017 -0.01255 119 2PY 0.00276 -0.00789 -0.01107 -0.00942 -0.00647 120 2PZ 0.00146 -0.00329 -0.00551 -0.00172 0.00389 121 3S 0.00166 -0.00484 -0.01209 0.00321 0.02786 122 3PX -0.00186 0.00335 0.00036 0.00415 0.00801 123 3PY 0.00156 -0.00512 -0.00792 -0.01000 -0.00360 124 3PZ 0.00149 -0.00328 -0.00630 0.00564 0.00007 125 4XX 0.00006 -0.00013 -0.00016 0.00066 -0.00123 126 4YY -0.00019 0.00041 0.00051 -0.00058 0.00049 127 4ZZ 0.00012 -0.00023 -0.00036 -0.00001 -0.00009 128 4XY 0.00012 -0.00018 -0.00055 -0.00002 0.00028 129 4XZ -0.00016 0.00027 0.00033 -0.00044 -0.00008 130 4YZ 0.00001 -0.00006 0.00003 0.00040 -0.00006 131 14 C 1S 0.00003 -0.00025 -0.00034 -0.00042 0.00134 132 2S -0.00026 0.00052 0.00068 0.00111 -0.00182 133 2PX 0.00059 -0.00152 -0.00309 -0.00072 0.00688 134 2PY -0.00037 0.00115 0.00046 -0.00086 0.00184 135 2PZ -0.00010 -0.00038 -0.00042 -0.00060 0.00257 136 3S 0.00094 -0.00022 0.00330 -0.00113 -0.01710 137 3PX 0.00002 -0.00073 -0.00361 0.00101 0.01108 138 3PY -0.00010 0.00020 -0.00063 -0.00117 0.00367 139 3PZ -0.00033 0.00025 -0.00132 -0.00242 0.00607 140 4XX 0.00005 -0.00011 -0.00010 -0.00031 0.00009 141 4YY -0.00002 -0.00001 -0.00002 -0.00007 0.00018 142 4ZZ -0.00007 0.00010 0.00015 0.00015 0.00009 143 4XY -0.00016 0.00044 0.00071 0.00039 0.00014 144 4XZ -0.00003 0.00009 0.00019 0.00017 -0.00024 145 4YZ -0.00000 -0.00000 0.00002 0.00013 0.00001 146 15 H 1S -0.00022 0.00089 0.00073 0.00039 0.00151 147 2S -0.00048 0.00145 0.00184 0.00028 0.00288 148 16 H 1S -0.00033 0.00047 0.00086 0.00076 0.00087 149 2S -0.00046 0.00087 0.00288 0.00330 -0.00246 150 17 H 1S 0.00073 -0.00201 -0.00292 -0.00098 0.00016 151 2S 0.00086 -0.00271 -0.00436 -0.00488 0.00261 152 18 H 1S 0.00023 -0.00112 -0.00183 -0.00115 0.00182 153 2S 0.00014 -0.00029 0.00126 0.00360 -0.00974 154 19 H 1S 0.00134 -0.00310 -0.00110 0.00469 -0.01595 155 2S 0.00075 -0.00164 0.00248 0.00964 -0.01560 156 20 H 1S -0.00376 0.00780 0.00692 -0.01417 0.00241 157 2S -0.00584 0.01166 0.01685 -0.02976 0.00790 96 97 98 99 100 96 3S 0.13370 97 3PX 0.01293 0.02404 98 3PY -0.00645 -0.00442 0.04197 99 3PZ -0.00106 -0.00733 -0.00237 0.07770 100 4XX -0.00109 -0.00075 0.00163 0.00041 0.00051 101 4YY 0.00099 0.00133 -0.00104 0.00039 -0.00025 102 4ZZ -0.00576 -0.00042 -0.00010 -0.00076 0.00007 103 4XY 0.00281 0.00108 0.00199 0.00079 0.00006 104 4XZ 0.00104 0.00026 0.00094 -0.00138 0.00002 105 4YZ 0.00125 0.00059 0.00034 -0.00172 0.00002 106 8 H 1S 0.05290 0.02660 0.03296 0.00710 0.00063 107 2S 0.01785 0.02029 0.01786 0.00491 0.00052 108 9 H 1S -0.02520 0.00459 -0.00311 0.00046 -0.00059 109 2S -0.02150 0.00890 -0.00823 0.00098 -0.00215 110 10 H 1S 0.01919 -0.01222 0.00754 -0.00155 -0.00086 111 2S 0.01836 -0.01589 0.00920 -0.00229 -0.00072 112 11 H 1S 0.00975 -0.00225 -0.00313 -0.00061 0.00013 113 2S 0.01105 -0.00499 -0.00537 -0.00123 0.00027 114 12 H 1S 0.02226 0.00877 -0.01369 0.00054 -0.00002 115 2S 0.02730 0.01186 -0.02445 -0.00036 -0.00067 116 13 C 1S -0.00009 0.00258 0.00178 -0.00291 -0.00017 117 2S -0.00050 -0.00352 -0.00612 0.00605 0.00020 118 2PX 0.01060 0.00504 0.01156 -0.00772 -0.00017 119 2PY -0.00354 0.00932 -0.05079 -0.01340 0.00089 120 2PZ 0.00033 0.00252 -0.02250 0.00146 0.00036 121 3S -0.00190 -0.00529 -0.01283 0.01710 -0.00005 122 3PX 0.00207 -0.00191 0.01198 0.00725 -0.00004 123 3PY 0.00068 0.00716 -0.04577 -0.01020 0.00056 124 3PZ -0.00240 0.00055 -0.01373 -0.00177 0.00029 125 4XX -0.00093 0.00042 0.00084 -0.00066 0.00010 126 4YY 0.00086 0.00003 -0.00060 0.00027 -0.00006 127 4ZZ -0.00023 -0.00056 0.00050 -0.00009 -0.00003 128 4XY -0.00023 -0.00027 0.00027 0.00035 0.00001 129 4XZ 0.00080 0.00003 -0.00019 -0.00017 -0.00004 130 4YZ -0.00032 0.00021 0.00027 -0.00001 0.00003 131 14 C 1S 0.00033 -0.00095 -0.00101 0.00072 -0.00009 132 2S 0.00085 0.00068 0.00172 -0.00103 0.00015 133 2PX -0.00715 -0.00403 -0.00119 0.00462 -0.00029 134 2PY 0.00132 -0.00086 0.00258 0.00262 -0.00013 135 2PZ 0.00611 -0.00159 -0.00306 0.00141 -0.00007 136 3S -0.00065 0.00472 0.00320 -0.01097 0.00046 137 3PX -0.00361 -0.00380 -0.00022 0.00765 -0.00022 138 3PY 0.00035 -0.00067 0.00044 0.00324 -0.00006 139 3PZ 0.00372 -0.00117 -0.00366 0.00388 -0.00009 140 4XX 0.00016 0.00013 -0.00083 -0.00005 0.00001 141 4YY -0.00033 -0.00002 -0.00020 0.00008 -0.00001 142 4ZZ 0.00018 -0.00024 0.00077 0.00018 -0.00002 143 4XY 0.00030 -0.00032 0.00232 0.00052 -0.00004 144 4XZ 0.00023 -0.00001 0.00069 -0.00012 0.00000 145 4YZ 0.00012 -0.00002 0.00017 0.00001 0.00001 146 15 H 1S -0.00294 -0.00119 0.00504 0.00234 -0.00014 147 2S -0.00144 -0.00186 0.00603 0.00341 -0.00030 148 16 H 1S 0.00358 -0.00170 0.00345 0.00119 -0.00007 149 2S 0.00294 -0.00229 0.00936 -0.00063 -0.00015 150 17 H 1S -0.00375 0.00063 -0.00829 -0.00172 0.00015 151 2S -0.00227 0.00167 -0.01899 -0.00158 0.00012 152 18 H 1S -0.00096 -0.00307 0.00216 0.00026 -0.00015 153 2S -0.00009 -0.00260 0.00640 -0.00744 -0.00021 154 19 H 1S -0.00244 -0.00414 0.00572 -0.01166 -0.00008 155 2S -0.00042 -0.00455 0.01231 -0.01096 -0.00019 156 20 H 1S 0.02186 0.00053 -0.01779 -0.00122 -0.00089 157 2S 0.02917 0.00671 -0.03242 0.00090 -0.00143 101 102 103 104 105 101 4YY 0.00057 102 4ZZ 0.00004 0.00045 103 4XY 0.00011 -0.00010 0.00084 104 4XZ -0.00003 -0.00002 0.00010 0.00026 105 4YZ 0.00004 -0.00006 0.00013 -0.00010 0.00025 106 8 H 1S 0.00211 -0.00273 0.00767 0.00129 0.00171 107 2S 0.00222 -0.00093 0.00734 0.00066 0.00149 108 9 H 1S 0.00212 0.00026 -0.00419 -0.00050 -0.00056 109 2S 0.00283 0.00047 -0.00363 -0.00080 -0.00044 110 10 H 1S -0.00028 -0.00010 -0.00078 -0.00022 -0.00015 111 2S -0.00076 -0.00027 -0.00134 -0.00022 -0.00027 112 11 H 1S 0.00026 0.00001 0.00055 0.00005 0.00011 113 2S 0.00044 -0.00002 0.00136 0.00014 0.00028 114 12 H 1S -0.00099 -0.00010 -0.00093 -0.00004 -0.00024 115 2S -0.00072 -0.00037 -0.00152 -0.00025 -0.00029 116 13 C 1S 0.00013 -0.00002 -0.00014 0.00005 0.00021 117 2S -0.00006 0.00005 0.00021 -0.00016 -0.00037 118 2PX 0.00012 0.00001 -0.00074 0.00052 0.00034 119 2PY -0.00064 -0.00026 -0.00046 -0.00121 0.00009 120 2PZ 0.00026 -0.00029 0.00019 -0.00023 0.00008 121 3S 0.00018 0.00007 0.00105 0.00042 -0.00161 122 3PX 0.00016 -0.00002 -0.00012 0.00031 -0.00012 123 3PY -0.00035 -0.00036 -0.00002 -0.00120 0.00025 124 3PZ 0.00008 -0.00010 0.00044 -0.00008 -0.00003 125 4XX -0.00006 0.00001 -0.00016 0.00001 0.00003 126 4YY 0.00004 -0.00002 0.00006 -0.00001 0.00000 127 4ZZ 0.00000 0.00002 0.00004 0.00000 -0.00001 128 4XY -0.00002 0.00001 -0.00003 -0.00000 -0.00001 129 4XZ 0.00001 -0.00001 0.00002 -0.00001 0.00001 130 4YZ -0.00001 0.00000 -0.00004 0.00000 0.00000 131 14 C 1S 0.00005 -0.00003 0.00019 -0.00004 -0.00003 132 2S -0.00006 -0.00000 -0.00034 0.00009 0.00002 133 2PX 0.00009 0.00001 0.00079 -0.00021 -0.00013 134 2PY 0.00013 0.00004 0.00008 0.00007 -0.00001 135 2PZ 0.00001 -0.00004 -0.00003 -0.00003 -0.00014 136 3S -0.00047 0.00007 -0.00117 -0.00006 0.00050 137 3PX 0.00018 -0.00000 0.00063 0.00003 -0.00037 138 3PY 0.00005 0.00003 0.00001 0.00002 -0.00010 139 3PZ 0.00004 -0.00007 0.00003 -0.00005 -0.00021 140 4XX 0.00000 -0.00001 0.00000 -0.00001 -0.00000 141 4YY 0.00001 -0.00000 0.00003 -0.00001 -0.00000 142 4ZZ 0.00000 0.00001 0.00000 0.00001 -0.00000 143 4XY 0.00004 0.00001 0.00002 0.00006 0.00000 144 4XZ -0.00001 0.00001 -0.00003 0.00001 -0.00000 145 4YZ -0.00001 -0.00000 -0.00001 0.00001 -0.00001 146 15 H 1S 0.00014 0.00004 0.00023 0.00008 0.00003 147 2S 0.00028 0.00002 0.00046 0.00015 0.00000 148 16 H 1S 0.00000 0.00002 -0.00009 0.00008 -0.00007 149 2S 0.00005 0.00009 0.00006 0.00017 0.00006 150 17 H 1S -0.00015 -0.00007 0.00006 -0.00025 -0.00001 151 2S -0.00013 -0.00016 0.00020 -0.00050 -0.00004 152 18 H 1S -0.00016 0.00014 0.00022 -0.00014 -0.00018 153 2S -0.00007 0.00016 0.00038 -0.00010 0.00036 154 19 H 1S -0.00004 0.00028 0.00034 0.00027 0.00046 155 2S 0.00017 0.00021 0.00083 -0.00006 0.00103 156 20 H 1S 0.00014 -0.00030 0.00077 -0.00039 0.00013 157 2S 0.00061 -0.00061 0.00075 -0.00069 0.00008 106 107 108 109 110 106 8 H 1S 0.10856 107 2S 0.08509 0.08375 108 9 H 1S -0.01115 -0.01049 0.10876 109 2S -0.01165 -0.01104 0.08643 0.07880 110 10 H 1S -0.00510 -0.01085 -0.01085 -0.01129 0.10872 111 2S -0.01109 -0.01754 -0.01112 -0.01157 0.08661 112 11 H 1S 0.00146 0.00507 -0.00529 -0.01175 -0.01092 113 2S 0.00340 0.01056 -0.01177 -0.01917 -0.01140 114 12 H 1S -0.00567 -0.01137 0.00146 0.00326 -0.00507 115 2S -0.01207 -0.01587 0.00521 0.01059 -0.01113 116 13 C 1S 0.00047 -0.00160 0.00001 0.00027 -0.00011 117 2S -0.00222 0.00341 -0.00001 -0.00058 0.00029 118 2PX 0.00183 -0.01283 -0.00022 -0.00033 -0.00046 119 2PY -0.00693 0.03310 0.00102 -0.00180 0.00165 120 2PZ -0.00085 0.01523 0.00010 -0.00086 0.00027 121 3S 0.00122 0.01444 0.00007 -0.00067 0.00015 122 3PX 0.00221 -0.00781 -0.00054 -0.00056 -0.00066 123 3PY -0.00450 0.03074 0.00132 -0.00045 0.00151 124 3PZ 0.00154 0.01478 -0.00006 -0.00110 -0.00016 125 4XX -0.00032 -0.00098 -0.00015 -0.00034 0.00006 126 4YY 0.00027 0.00048 0.00011 0.00024 -0.00003 127 4ZZ -0.00015 -0.00016 0.00007 0.00013 -0.00002 128 4XY -0.00034 -0.00053 -0.00003 -0.00005 0.00009 129 4XZ 0.00005 -0.00002 0.00006 0.00010 -0.00001 130 4YZ 0.00006 -0.00013 -0.00009 -0.00017 -0.00001 131 14 C 1S 0.00028 0.00145 0.00019 0.00040 -0.00005 132 2S -0.00022 -0.00249 -0.00033 -0.00080 0.00013 133 2PX 0.00075 0.00626 0.00055 0.00173 -0.00010 134 2PY 0.00014 -0.00233 0.00019 0.00040 -0.00009 135 2PZ -0.00042 0.00030 0.00003 -0.00036 0.00007 136 3S -0.00382 -0.00918 -0.00102 -0.00182 0.00084 137 3PX 0.00135 0.00450 0.00036 0.00093 -0.00007 138 3PY -0.00047 -0.00121 0.00018 0.00028 0.00015 139 3PZ -0.00072 0.00077 0.00013 0.00007 -0.00002 140 4XX -0.00010 0.00044 0.00002 0.00000 0.00002 141 4YY 0.00007 0.00039 0.00004 0.00009 0.00001 142 4ZZ 0.00008 -0.00051 -0.00000 0.00002 -0.00001 143 4XY 0.00039 -0.00150 -0.00003 0.00010 -0.00010 144 4XZ 0.00000 -0.00062 -0.00003 -0.00005 0.00000 145 4YZ 0.00000 -0.00019 -0.00004 -0.00007 -0.00000 146 15 H 1S 0.00099 -0.00163 0.00014 0.00076 -0.00025 147 2S 0.00202 -0.00146 0.00031 0.00126 -0.00073 148 16 H 1S 0.00010 -0.00347 -0.00016 -0.00029 -0.00004 149 2S 0.00164 -0.00546 -0.00024 -0.00011 -0.00045 150 17 H 1S -0.00100 0.00701 0.00012 -0.00005 0.00035 151 2S -0.00188 0.01388 0.00081 0.00058 0.00054 152 18 H 1S -0.00092 -0.00037 0.00042 0.00070 0.00005 153 2S 0.00158 0.00003 0.00036 0.00074 -0.00065 154 19 H 1S -0.00001 0.00023 -0.00021 -0.00015 -0.00001 155 2S 0.00439 0.00046 -0.00050 -0.00011 -0.00129 156 20 H 1S 0.00166 0.00874 0.00243 0.00481 0.00039 157 2S 0.00145 0.01369 0.00616 0.00983 -0.00084 111 112 113 114 115 111 2S 0.07922 112 11 H 1S -0.01126 0.10875 113 2S -0.01180 0.08649 0.07891 114 12 H 1S -0.01099 -0.01101 -0.01144 0.10892 115 2S -0.01796 -0.01102 -0.01152 0.08750 0.08364 116 13 C 1S -0.00033 -0.00047 -0.00088 -0.00054 -0.00091 117 2S 0.00071 0.00094 0.00192 0.00113 0.00153 118 2PX -0.00150 -0.00165 -0.00340 -0.00201 -0.00681 119 2PY 0.00440 0.00021 -0.00093 -0.00203 0.01367 120 2PZ 0.00110 0.00158 0.00312 0.00149 0.00634 121 3S 0.00025 0.00306 0.00498 0.00231 0.00469 122 3PX -0.00135 -0.00078 -0.00095 -0.00132 -0.00568 123 3PY 0.00396 0.00091 0.00046 -0.00235 0.01268 124 3PZ 0.00014 0.00163 0.00297 0.00097 0.00437 125 4XX 0.00009 -0.00026 -0.00051 -0.00033 -0.00061 126 4YY -0.00004 0.00008 0.00011 -0.00003 0.00034 127 4ZZ -0.00004 0.00012 0.00025 0.00023 0.00010 128 4XY 0.00012 -0.00003 -0.00006 -0.00014 -0.00014 129 4XZ -0.00003 0.00004 0.00002 -0.00006 0.00001 130 4YZ -0.00003 -0.00007 -0.00012 -0.00010 -0.00031 131 14 C 1S -0.00002 0.00038 0.00071 0.00040 0.00109 132 2S 0.00012 -0.00065 -0.00130 -0.00092 -0.00181 133 2PX 0.00017 0.00133 0.00266 0.00173 0.00423 134 2PY -0.00044 0.00005 0.00028 0.00015 -0.00055 135 2PZ 0.00021 -0.00006 -0.00027 -0.00024 0.00044 136 3S 0.00130 -0.00286 -0.00506 -0.00155 -0.00290 137 3PX -0.00015 0.00145 0.00262 0.00107 0.00190 138 3PY 0.00005 0.00007 0.00009 -0.00020 -0.00019 139 3PZ 0.00022 -0.00005 -0.00013 -0.00021 0.00083 140 4XX 0.00005 0.00006 0.00009 0.00003 0.00021 141 4YY 0.00002 0.00006 0.00010 0.00002 0.00019 142 4ZZ -0.00005 -0.00002 -0.00003 -0.00001 -0.00021 143 4XY -0.00026 -0.00001 0.00005 0.00011 -0.00064 144 4XZ -0.00003 -0.00011 -0.00020 -0.00009 -0.00030 145 4YZ 0.00000 -0.00005 -0.00009 -0.00004 -0.00013 146 15 H 1S -0.00060 0.00039 0.00096 0.00072 -0.00035 147 2S -0.00130 0.00094 0.00198 0.00147 -0.00007 148 16 H 1S -0.00018 -0.00039 -0.00070 -0.00028 -0.00136 149 2S -0.00100 -0.00013 -0.00011 0.00021 -0.00264 150 17 H 1S 0.00105 0.00027 0.00028 -0.00007 0.00309 151 2S 0.00169 0.00082 0.00095 -0.00037 0.00647 152 18 H 1S 0.00012 0.00031 0.00036 0.00032 0.00052 153 2S -0.00105 0.00067 0.00123 0.00095 -0.00005 154 19 H 1S 0.00002 0.00113 0.00281 0.00203 0.00006 155 2S -0.00230 0.00253 0.00522 0.00367 -0.00148 156 20 H 1S 0.00121 -0.00079 -0.00215 -0.00201 0.01020 157 2S -0.00093 -0.00109 -0.00230 0.00687 0.02152 116 117 118 119 120 116 13 C 1S 1.02729 117 2S -0.03377 0.17119 118 2PX 0.00294 -0.00276 0.20980 119 2PY -0.00791 0.01341 -0.03481 0.34326 120 2PZ -0.00095 0.00507 -0.00934 0.05300 0.22664 121 3S -0.09569 0.16202 -0.03556 0.06072 0.01029 122 3PX 0.00236 -0.00436 0.07707 -0.05132 -0.01616 123 3PY -0.00732 0.01469 -0.04622 0.27285 0.07582 124 3PZ -0.00186 0.00206 -0.01986 0.06709 0.10298 125 4XX -0.00826 -0.00360 0.00559 -0.00125 0.00326 126 4YY -0.00785 -0.00373 -0.00138 0.00022 0.00181 127 4ZZ -0.00951 -0.00120 -0.00469 -0.00067 -0.00889 128 4XY 0.00006 -0.00035 -0.00119 -0.00276 0.00239 129 4XZ -0.00061 0.00114 0.00293 0.00250 -0.00614 130 4YZ 0.00053 -0.00057 0.00259 0.00093 0.00019 131 14 C 1S 0.00633 -0.01220 -0.03362 -0.00013 -0.00727 132 2S -0.01205 0.02137 0.06633 -0.00023 0.01426 133 2PX 0.03514 -0.07434 -0.14824 -0.00501 -0.03215 134 2PY 0.00291 -0.00537 -0.01087 0.00986 -0.00034 135 2PZ 0.00685 -0.01440 -0.03285 0.00185 0.00076 136 3S 0.00192 0.00217 0.08196 -0.00559 0.01947 137 3PX 0.00763 -0.02140 -0.07385 -0.00533 -0.01515 138 3PY 0.00082 -0.00133 -0.00706 0.00528 0.00226 139 3PZ 0.00115 -0.00304 -0.01738 0.00750 0.00185 140 4XX -0.00321 0.00582 0.00210 0.00318 0.00329 141 4YY 0.00118 -0.00266 -0.00399 0.00029 -0.00011 142 4ZZ 0.00111 -0.00260 -0.00267 -0.00325 -0.00424 143 4XY 0.00008 0.00002 0.00305 -0.01345 -0.00269 144 4XZ -0.00099 0.00176 0.00296 -0.00204 -0.00543 145 4YZ -0.00002 0.00010 0.00061 -0.00153 -0.00083 146 15 H 1S 0.00505 -0.01156 -0.01113 -0.01813 -0.00084 147 2S 0.00605 -0.01250 -0.02149 -0.03471 -0.00133 148 16 H 1S 0.00475 -0.01151 -0.00836 -0.01793 -0.01720 149 2S 0.00671 -0.01452 -0.01258 -0.04345 -0.04306 150 17 H 1S 0.00262 -0.00823 -0.02168 0.03435 0.00984 151 2S 0.00225 -0.00577 -0.04485 0.08888 0.02600 152 18 H 1S -0.02956 0.05614 -0.03973 0.01974 -0.12210 153 2S -0.00403 0.00965 -0.02943 0.00367 -0.10980 154 19 H 1S 0.00533 -0.01225 0.00751 -0.01285 -0.02060 155 2S 0.00799 -0.01654 0.01486 -0.03655 -0.05094 156 20 H 1S 0.00283 -0.00847 0.00012 0.04012 0.00431 157 2S 0.00254 -0.00611 -0.00438 0.09429 0.01527 121 122 123 124 125 121 3S 0.18109 122 3PX -0.01966 0.03540 123 3PY 0.05490 -0.04960 0.22829 124 3PZ 0.01490 -0.01742 0.06928 0.05470 125 4XX -0.00442 0.00185 -0.00110 0.00100 0.00063 126 4YY -0.00242 -0.00054 0.00095 0.00099 0.00008 127 4ZZ -0.00018 -0.00107 -0.00184 -0.00376 -0.00029 128 4XY -0.00093 0.00005 -0.00193 0.00061 0.00005 129 4XZ 0.00124 0.00067 0.00070 -0.00255 -0.00011 130 4YZ -0.00074 0.00079 0.00018 0.00006 0.00012 131 14 C 1S 0.00272 -0.00620 0.00193 -0.00089 -0.00309 132 2S 0.00186 0.01765 -0.00382 0.00256 0.00529 133 2PX -0.05355 -0.05135 0.00532 -0.00317 -0.00125 134 2PY -0.01239 0.00368 -0.00988 -0.00270 -0.00052 135 2PZ -0.01287 -0.01548 -0.00247 -0.00437 -0.00225 136 3S -0.02348 0.02194 -0.00903 0.00232 0.00639 137 3PX -0.00963 -0.02453 0.00047 -0.00128 -0.00101 138 3PY -0.00347 0.00089 -0.00303 0.00008 -0.00026 139 3PZ -0.00001 -0.00861 0.00500 -0.00034 -0.00122 140 4XX 0.00597 0.00031 0.00309 0.00170 -0.00008 141 4YY -0.00175 -0.00158 0.00119 0.00058 0.00006 142 4ZZ -0.00315 -0.00041 -0.00379 -0.00247 -0.00012 143 4XY -0.00257 0.00308 -0.01190 -0.00321 0.00004 144 4XZ 0.00110 0.00132 -0.00272 -0.00292 -0.00011 145 4YZ 0.00001 0.00009 -0.00111 -0.00068 -0.00004 146 15 H 1S -0.01919 0.00139 -0.01887 -0.00068 0.00220 147 2S -0.01740 0.00045 -0.03012 -0.00262 0.00073 148 16 H 1S -0.02013 -0.00335 -0.02318 -0.01389 0.00013 149 2S -0.02389 0.00062 -0.04633 -0.02754 -0.00122 150 17 H 1S 0.00205 -0.01860 0.04236 0.01418 0.00189 151 2S 0.01737 -0.03150 0.08889 0.02883 0.00014 152 18 H 1S 0.06230 -0.01286 0.00076 -0.04811 -0.00450 153 2S 0.01120 -0.00771 -0.01207 -0.04519 -0.00328 154 19 H 1S -0.02775 0.00951 -0.01822 -0.01459 -0.00126 155 2S -0.03385 0.01408 -0.04315 -0.02955 -0.00142 156 20 H 1S -0.00275 -0.00554 0.04675 0.00665 -0.00091 157 2S 0.01166 -0.01524 0.08919 0.01893 -0.00128 126 127 128 129 130 126 4YY 0.00029 127 4ZZ 0.00000 0.00079 128 4XY 0.00009 -0.00012 0.00028 129 4XZ -0.00008 0.00021 -0.00015 0.00048 130 4YZ -0.00005 -0.00009 -0.00003 0.00007 0.00009 131 14 C 1S 0.00058 0.00132 -0.00009 -0.00090 -0.00046 132 2S -0.00140 -0.00287 0.00016 0.00162 0.00092 133 2PX 0.00199 0.00461 0.00063 -0.00247 -0.00199 134 2PY 0.00060 0.00057 0.00568 -0.00045 0.00038 135 2PZ -0.00004 0.00323 -0.00017 0.00524 0.00043 136 3S -0.00122 -0.00379 0.00021 0.00152 0.00139 137 3PX 0.00075 0.00229 0.00037 -0.00118 -0.00106 138 3PY 0.00037 0.00008 0.00267 -0.00028 0.00014 139 3PZ 0.00007 0.00137 -0.00011 0.00254 0.00015 140 4XX -0.00007 -0.00021 -0.00005 -0.00008 0.00000 141 4YY 0.00009 0.00001 -0.00008 -0.00022 -0.00008 142 4ZZ 0.00001 0.00037 0.00014 0.00028 0.00001 143 4XY -0.00002 0.00003 0.00037 -0.00010 0.00001 144 4XZ -0.00011 0.00020 -0.00011 0.00034 0.00005 145 4YZ -0.00004 0.00008 -0.00016 0.00020 0.00002 146 15 H 1S 0.00041 -0.00077 0.00320 -0.00267 -0.00029 147 2S 0.00063 -0.00012 0.00296 -0.00289 -0.00052 148 16 H 1S -0.00045 0.00233 0.00083 0.00399 0.00047 149 2S -0.00051 0.00371 0.00064 0.00356 0.00020 150 17 H 1S -0.00003 -0.00070 -0.00333 -0.00059 -0.00056 151 2S 0.00062 -0.00063 -0.00336 -0.00083 -0.00076 152 18 H 1S -0.00194 0.00625 -0.00178 0.00400 -0.00076 153 2S -0.00118 0.00611 -0.00153 0.00338 -0.00057 154 19 H 1S -0.00131 0.00484 -0.00091 -0.00112 -0.00093 155 2S -0.00164 0.00539 -0.00129 0.00040 -0.00036 156 20 H 1S 0.00327 -0.00121 0.00148 0.00068 -0.00169 157 2S 0.00308 -0.00172 0.00024 0.00153 -0.00108 131 132 133 134 135 131 14 C 1S 1.02493 132 2S -0.02589 0.14837 133 2PX -0.00144 0.00210 0.18848 134 2PY -0.00077 0.00199 0.00110 0.19619 135 2PZ -0.00044 0.00019 -0.00293 -0.00221 0.19967 136 3S -0.08845 0.13699 -0.00986 -0.00071 0.00319 137 3PX -0.00085 0.00324 0.08745 0.00252 -0.00359 138 3PY 0.00024 0.00029 0.00101 0.08944 -0.00153 139 3PZ -0.00036 0.00053 -0.00148 -0.00205 0.09251 140 4XX -0.00817 -0.00228 -0.00601 -0.00143 -0.00361 141 4YY -0.00918 -0.00016 0.00666 -0.00389 -0.00494 142 4ZZ -0.00930 0.00009 0.00292 0.00544 0.00924 143 4XY -0.00006 0.00020 -0.00186 0.00950 -0.00122 144 4XZ 0.00028 -0.00060 -0.00388 -0.00120 0.00474 145 4YZ 0.00009 -0.00023 -0.00143 -0.00522 0.00592 146 15 H 1S -0.02686 0.05221 0.05610 0.09363 -0.07584 147 2S -0.00473 0.01462 0.04594 0.08203 -0.06502 148 16 H 1S -0.02669 0.05117 0.01745 0.03062 0.12766 149 2S -0.00430 0.01341 0.01273 0.03009 0.11094 150 17 H 1S -0.02577 0.04925 0.06078 -0.11668 -0.02438 151 2S -0.00268 0.00999 0.05331 -0.10816 -0.02336 152 18 H 1S 0.00604 -0.01317 0.02044 -0.00114 0.01312 153 2S 0.00636 -0.01300 0.03296 0.00070 0.02255 154 19 H 1S 0.00259 -0.00529 0.00907 0.00025 -0.00455 155 2S 0.00138 -0.00326 0.00984 0.00304 0.00556 156 20 H 1S 0.00088 -0.00141 0.00194 0.00347 0.00151 157 2S 0.00022 -0.00076 0.00114 -0.00624 0.00320 136 137 138 139 140 136 3S 0.13966 137 3PX -0.00623 0.04265 138 3PY -0.00125 0.00163 0.04099 139 3PZ 0.00075 -0.00119 -0.00091 0.04343 140 4XX -0.00183 -0.00250 -0.00059 -0.00151 0.00051 141 4YY 0.00010 0.00304 -0.00173 -0.00225 -0.00001 142 4ZZ 0.00063 0.00126 0.00239 0.00413 -0.00031 143 4XY 0.00037 -0.00063 0.00426 -0.00091 -0.00013 144 4XZ -0.00037 -0.00182 -0.00063 0.00216 -0.00001 145 4YZ 0.00008 -0.00079 -0.00241 0.00273 -0.00005 146 15 H 1S 0.04394 0.02881 0.04279 -0.03592 -0.00179 147 2S 0.00853 0.02383 0.03759 -0.03120 -0.00121 148 16 H 1S 0.04905 0.00770 0.01311 0.05852 -0.00415 149 2S 0.01306 0.00521 0.01248 0.04972 -0.00368 150 17 H 1S 0.04313 0.02784 -0.05287 -0.00955 -0.00071 151 2S 0.00435 0.02392 -0.04833 -0.00770 0.00062 152 18 H 1S -0.02727 0.01474 -0.00132 0.00748 -0.00013 153 2S -0.02083 0.01650 -0.00125 0.00997 -0.00171 154 19 H 1S -0.01163 0.00361 -0.00312 -0.00598 -0.00062 155 2S -0.00773 0.00370 -0.00220 -0.00175 -0.00143 156 20 H 1S -0.00404 -0.00086 0.00357 0.00442 0.00025 157 2S -0.00374 -0.00135 -0.00066 0.00671 0.00087 141 142 143 144 145 141 4YY 0.00053 142 4ZZ -0.00017 0.00081 143 4XY -0.00026 0.00034 0.00106 144 4XZ -0.00026 0.00023 0.00006 0.00037 145 4YZ -0.00010 0.00013 -0.00021 0.00023 0.00033 146 15 H 1S 0.00199 0.00025 0.00525 -0.00370 -0.00507 147 2S 0.00148 0.00023 0.00537 -0.00304 -0.00430 148 16 H 1S -0.00315 0.00775 0.00152 0.00283 0.00290 149 2S -0.00316 0.00734 0.00277 0.00334 0.00267 150 17 H 1S 0.00532 -0.00390 -0.00786 -0.00181 0.00166 151 2S 0.00493 -0.00465 -0.00969 -0.00214 0.00129 152 18 H 1S -0.00033 0.00223 -0.00071 0.00325 0.00063 153 2S -0.00000 0.00309 -0.00013 0.00272 0.00078 154 19 H 1S 0.00002 0.00086 0.00093 0.00016 -0.00022 155 2S -0.00040 0.00203 0.00212 0.00118 0.00024 156 20 H 1S 0.00047 -0.00042 -0.00194 -0.00023 -0.00040 157 2S 0.00070 -0.00128 -0.00456 -0.00058 -0.00029 146 147 148 149 150 146 15 H 1S 0.10758 147 2S 0.08330 0.07150 148 16 H 1S -0.00954 -0.01785 0.10883 149 2S -0.01712 -0.01529 0.08759 0.08196 150 17 H 1S -0.01336 -0.02572 -0.01448 -0.03066 0.11517 151 2S -0.02850 -0.03307 -0.03107 -0.04233 0.10141 152 18 H 1S -0.00901 -0.00800 0.01313 0.02446 -0.00046 153 2S -0.00650 -0.00505 0.02117 0.03223 -0.00082 154 19 H 1S 0.00367 0.00649 0.00053 0.01197 -0.00278 155 2S 0.00285 0.00606 0.01151 0.02504 -0.00889 156 20 H 1S -0.00232 -0.00457 -0.00260 -0.00885 0.00511 157 2S -0.01041 -0.01439 -0.00645 -0.01783 0.01732 151 152 153 154 155 151 2S 0.10871 152 18 H 1S 0.00137 0.10136 153 2S -0.00277 0.07593 0.06753 154 19 H 1S -0.00799 0.01252 0.02544 0.11060 155 2S -0.01997 0.02414 0.03732 0.09172 0.09090 156 20 H 1S 0.01862 -0.00112 -0.00267 -0.01487 -0.03334 157 2S 0.03857 0.00024 -0.00499 -0.03243 -0.04536 156 157 156 20 H 1S 0.11658 157 2S 0.10249 0.11068 Beta Density Matrix: 1 2 3 4 5 1 1 C 1S 1.02567 2 2S -0.02713 0.15406 3 2PX -0.00099 0.00349 0.19817 4 2PY 0.00070 0.00065 0.00335 0.20340 5 2PZ -0.00028 -0.00232 -0.00056 0.00104 0.20347 6 3S -0.09744 0.14816 -0.02476 0.00547 -0.00767 7 3PX 0.00116 0.00037 0.09993 -0.00248 0.00119 8 3PY 0.00092 -0.00279 0.00041 0.09403 0.00141 9 3PZ 0.00035 0.00023 0.00103 0.00194 0.09280 10 4XX -0.00779 -0.00281 -0.00676 0.00378 -0.00404 11 4YY -0.00881 -0.00046 0.00287 -0.01008 -0.00227 12 4ZZ -0.00857 -0.00096 0.00465 0.00431 0.00851 13 4XY 0.00002 0.00002 0.00416 0.00395 -0.00061 14 4XZ -0.00037 0.00061 -0.00337 -0.00030 0.00585 15 4YZ -0.00028 0.00060 -0.00059 -0.00215 0.00477 16 2 C 1S 0.00624 -0.01116 0.03404 -0.00770 0.00648 17 2S -0.01152 0.01951 -0.07031 0.01492 -0.01386 18 2PX -0.03125 0.06136 -0.14974 0.03242 -0.02979 19 2PY 0.00688 -0.01335 0.03326 -0.00348 0.00477 20 2PZ -0.00458 0.00872 -0.02593 0.00485 0.01100 21 3S 0.00210 0.00391 -0.06365 0.02234 -0.01425 22 3PX -0.00154 0.00975 -0.01802 0.00421 -0.00727 23 3PY -0.00286 0.00241 0.00222 -0.00693 -0.00049 24 3PZ 0.00001 0.00056 -0.00374 -0.00047 -0.00217 25 4XX -0.00302 0.00543 -0.00216 0.00231 -0.00186 26 4YY 0.00122 -0.00273 0.00413 -0.00344 0.00042 27 4ZZ 0.00064 -0.00144 0.00234 -0.00043 0.00244 28 4XY 0.00119 -0.00209 0.00302 0.00510 0.00078 29 4XZ -0.00068 0.00112 -0.00164 0.00053 0.00511 30 4YZ 0.00026 -0.00049 0.00076 0.00059 -0.00072 31 3 C 1S -0.00209 0.00435 -0.00803 -0.00328 -0.00182 32 2S 0.00413 -0.00914 0.01644 0.00825 0.00374 33 2PX 0.00736 -0.01595 0.02732 0.00727 0.00798 34 2PY 0.00123 -0.00312 0.01386 -0.00633 0.00295 35 2PZ 0.00155 -0.00211 0.00793 0.00138 -0.01152 36 3S 0.00512 -0.01183 0.04878 0.01564 0.01048 37 3PX 0.00077 -0.00191 -0.00447 -0.00762 0.00022 38 3PY -0.00044 0.00014 0.02087 -0.00807 0.00302 39 3PZ 0.00011 0.00052 0.00349 -0.00062 -0.01188 40 4XX -0.00109 0.00195 -0.00519 -0.00025 -0.00124 41 4YY 0.00080 -0.00148 0.00392 0.00006 0.00075 42 4ZZ -0.00024 0.00037 -0.00065 0.00013 0.00005 43 4XY -0.00004 0.00003 -0.00073 0.00004 -0.00017 44 4XZ -0.00016 0.00026 -0.00105 -0.00007 0.00027 45 4YZ 0.00009 -0.00015 0.00028 0.00003 -0.00007 46 4 C 1S 0.00103 -0.00224 0.00498 0.00093 0.00113 47 2S -0.00269 0.00508 -0.01143 -0.00135 -0.00239 48 2PX -0.00504 0.00978 -0.02142 -0.00229 -0.00428 49 2PY 0.00083 -0.00225 0.00336 0.00232 0.00107 50 2PZ -0.00076 0.00230 -0.00332 -0.00041 -0.00171 51 3S -0.00281 0.00811 -0.03636 -0.01142 -0.00870 52 3PX -0.00240 0.00585 -0.02121 -0.00673 -0.00516 53 3PY 0.00308 -0.00481 0.00928 0.00427 0.00237 54 3PZ -0.00015 0.00128 -0.00303 -0.00123 -0.00145 55 4XX 0.00019 -0.00032 0.00081 -0.00013 0.00039 56 4YY 0.00013 -0.00029 0.00027 0.00013 0.00002 57 4ZZ -0.00002 -0.00008 0.00012 0.00016 -0.00011 58 4XY 0.00016 -0.00033 0.00114 -0.00023 0.00020 59 4XZ 0.00007 -0.00004 0.00037 -0.00005 -0.00071 60 4YZ 0.00004 -0.00010 0.00013 -0.00007 0.00045 61 5 C 1S -0.00000 0.00009 0.00074 -0.00039 0.00015 62 2S 0.00013 -0.00054 -0.00186 0.00092 -0.00034 63 2PX -0.00007 -0.00071 -0.00265 0.00088 -0.00208 64 2PY -0.00013 0.00020 0.00033 -0.00276 -0.00106 65 2PZ -0.00003 -0.00042 -0.00224 -0.00075 0.00853 66 3S -0.00231 0.00256 -0.00669 0.00165 -0.00115 67 3PX -0.00109 0.00071 0.00198 0.00101 -0.00100 68 3PY 0.00087 -0.00091 0.00089 0.00106 -0.00047 69 3PZ -0.00013 -0.00017 -0.00132 -0.00026 0.00894 70 4XX -0.00024 0.00051 -0.00081 0.00016 -0.00004 71 4YY 0.00009 -0.00018 0.00038 -0.00015 0.00005 72 4ZZ -0.00001 0.00000 -0.00009 0.00002 -0.00006 73 4XY 0.00010 -0.00019 0.00036 0.00020 0.00010 74 4XZ -0.00004 0.00007 -0.00008 0.00005 -0.00019 75 4YZ 0.00003 -0.00010 0.00011 0.00003 0.00003 76 6 C 1S 0.00096 -0.00220 0.00430 -0.00247 0.00056 77 2S -0.00265 0.00505 -0.01032 0.00545 -0.00132 78 2PX -0.00464 0.01012 -0.01851 0.00904 -0.00200 79 2PY 0.00137 -0.00209 0.00578 -0.00143 0.00114 80 2PZ -0.00071 0.00059 -0.00225 0.00156 -0.00260 81 3S -0.00138 0.00704 -0.02902 0.01730 -0.00376 82 3PX -0.00143 0.00558 -0.01677 0.01144 -0.00187 83 3PY -0.00100 0.00079 0.00060 0.00026 0.00105 84 3PZ -0.00033 0.00016 -0.00252 0.00192 -0.00221 85 4XX 0.00008 -0.00009 0.00004 -0.00021 0.00024 86 4YY 0.00022 -0.00050 0.00101 -0.00031 0.00018 87 4ZZ -0.00007 -0.00005 -0.00000 -0.00005 -0.00026 88 4XY -0.00017 0.00026 -0.00102 0.00034 -0.00011 89 4XZ 0.00001 -0.00002 0.00011 0.00005 -0.00089 90 4YZ -0.00001 0.00002 -0.00007 0.00005 -0.00005 91 7 C 1S -0.00196 0.00439 -0.00634 0.00556 -0.00037 92 2S 0.00383 -0.00890 0.01261 -0.01231 0.00013 93 2PX 0.00573 -0.01293 0.01539 -0.01261 0.00304 94 2PY -0.00466 0.01005 -0.02176 0.00913 -0.00242 95 2PZ 0.00062 -0.00225 0.00353 -0.00045 -0.01349 96 3S 0.00684 -0.01549 0.03858 -0.03054 0.00380 97 3PX 0.00335 -0.00447 -0.00798 0.00241 0.00076 98 3PY -0.00326 0.00495 -0.01911 0.00401 -0.00390 99 3PZ 0.00021 -0.00029 -0.00000 0.00204 -0.01256 100 4XX -0.00071 0.00135 -0.00302 0.00163 -0.00061 101 4YY 0.00057 -0.00095 0.00184 -0.00045 0.00018 102 4ZZ -0.00019 0.00033 -0.00048 0.00016 0.00020 103 4XY 0.00072 -0.00138 0.00415 -0.00174 0.00056 104 4XZ -0.00006 0.00015 -0.00030 0.00015 0.00051 105 4YZ 0.00018 -0.00035 0.00090 -0.00038 0.00000 106 8 H 1S 0.00278 -0.00648 0.01077 -0.00751 0.00068 107 2S 0.00273 -0.00580 0.02039 -0.00455 0.00552 108 9 H 1S 0.00130 -0.00242 0.00628 -0.00174 0.00110 109 2S 0.00279 -0.00488 0.01318 -0.00534 0.00167 110 10 H 1S -0.00077 0.00187 -0.00165 -0.00007 -0.00026 111 2S -0.00173 0.00364 -0.00293 0.00008 -0.00044 112 11 H 1S 0.00131 -0.00238 0.00667 -0.00103 0.00117 113 2S 0.00291 -0.00501 0.01425 -0.00016 0.00265 114 12 H 1S 0.00343 -0.00698 0.01279 0.00557 0.00306 115 2S 0.00215 -0.00478 0.02024 -0.00354 0.00329 116 13 C 1S 0.00671 -0.01238 -0.02264 -0.01915 0.02354 117 2S -0.01261 0.02160 0.04522 0.03944 -0.04756 118 2PX 0.02009 -0.04282 -0.05400 -0.05586 0.05988 119 2PY 0.01414 -0.02947 -0.04824 -0.00207 0.05596 120 2PZ -0.02099 0.04400 0.06092 0.05966 -0.05347 121 3S 0.00132 0.00606 0.04165 0.03445 -0.04709 122 3PX 0.00155 -0.00786 -0.01606 -0.01949 0.02036 123 3PY 0.00161 -0.00656 -0.01504 0.00190 0.02328 124 3PZ -0.00344 0.01108 0.01982 0.02485 -0.01792 125 4XX -0.00055 0.00068 -0.00439 0.00134 -0.00185 126 4YY -0.00006 -0.00012 -0.00019 -0.00502 0.00024 127 4ZZ -0.00034 0.00011 0.00161 0.00112 0.00521 128 4XY -0.00167 0.00316 0.00185 0.00022 -0.00399 129 4XZ 0.00206 -0.00395 -0.00195 -0.00319 0.00127 130 4YZ 0.00159 -0.00284 -0.00387 -0.00053 0.00158 131 14 C 1S -0.00180 0.00382 0.00697 0.00269 -0.00088 132 2S 0.00352 -0.00798 -0.01547 -0.00674 0.00257 133 2PX -0.00655 0.01699 0.02438 0.01547 -0.01038 134 2PY -0.00249 0.00429 0.00608 -0.00553 -0.00698 135 2PZ 0.00292 -0.00532 -0.00461 -0.00650 -0.00506 136 3S 0.00591 -0.01158 -0.03420 -0.00660 -0.00375 137 3PX -0.00382 0.00940 0.01866 0.01025 -0.00829 138 3PY -0.00148 0.00272 0.00260 -0.00276 -0.00657 139 3PZ 0.00141 -0.00273 0.00043 -0.00440 -0.00642 140 4XX -0.00037 0.00048 0.00167 0.00129 -0.00088 141 4YY -0.00033 0.00065 0.00067 0.00025 -0.00033 142 4ZZ 0.00019 -0.00038 -0.00074 -0.00123 0.00071 143 4XY -0.00045 0.00085 0.00206 -0.00051 -0.00189 144 4XZ 0.00072 -0.00150 -0.00248 -0.00219 0.00126 145 4YZ 0.00022 -0.00053 -0.00091 -0.00025 -0.00002 146 15 H 1S -0.00424 0.00883 0.01303 0.00474 -0.00820 147 2S -0.00520 0.01123 0.02387 0.00721 -0.01046 148 16 H 1S 0.00301 -0.00579 -0.00877 -0.00967 -0.00003 149 2S 0.00226 -0.00490 -0.00626 -0.01028 0.01002 150 17 H 1S 0.00053 0.00018 -0.00248 0.00815 0.00378 151 2S -0.00045 0.00157 0.00171 0.00725 0.00493 152 18 H 1S 0.00556 -0.01371 -0.00806 -0.01043 0.01954 153 2S 0.00709 -0.01583 -0.01076 -0.01704 0.04056 154 19 H 1S -0.02548 0.04897 0.03154 0.03083 0.12442 155 2S -0.00209 0.00867 0.02650 0.02657 0.10836 156 20 H 1S -0.02553 0.04936 0.01635 -0.12633 -0.01158 157 2S -0.00195 0.00864 0.01702 -0.10731 -0.01054 6 7 8 9 10 6 3S 0.16777 7 3PX -0.01918 0.05512 8 3PY 0.00121 -0.00106 0.04528 9 3PZ -0.00433 0.00146 0.00103 0.04370 10 4XX -0.00138 -0.00320 0.00190 -0.00181 0.00074 11 4YY -0.00044 0.00170 -0.00457 -0.00107 -0.00021 12 4ZZ -0.00123 0.00210 0.00178 0.00394 -0.00030 13 4XY -0.00022 0.00166 0.00159 -0.00029 0.00001 14 4XZ 0.00068 -0.00115 -0.00021 0.00250 -0.00009 15 4YZ 0.00070 -0.00021 -0.00090 0.00207 -0.00009 16 2 C 1S -0.00263 0.00842 -0.00286 0.00264 -0.00318 17 2S 0.00461 -0.02040 0.00511 -0.00505 0.00574 18 2PX 0.09157 -0.07924 0.01811 -0.01366 0.00367 19 2PY -0.02330 0.02853 0.00781 0.00632 -0.00282 20 2PZ 0.01766 -0.02511 0.00492 0.00658 0.00218 21 3S -0.00543 -0.01917 0.00885 -0.00490 0.00518 22 3PX 0.00429 -0.00480 0.00194 -0.00269 0.00053 23 3PY 0.00262 0.00122 -0.00335 0.00014 -0.00098 24 3PZ 0.00289 -0.00888 0.00089 0.00011 0.00138 25 4XX 0.00744 -0.00194 0.00089 -0.00090 0.00003 26 4YY -0.00409 0.00242 -0.00138 0.00028 -0.00016 27 4ZZ -0.00086 0.00070 -0.00007 0.00099 -0.00025 28 4XY -0.00288 0.00143 0.00212 0.00038 0.00008 29 4XZ 0.00132 -0.00054 0.00027 0.00225 -0.00006 30 4YZ -0.00032 0.00035 0.00059 -0.00082 0.00004 31 3 C 1S 0.00754 -0.00388 -0.00170 -0.00059 -0.00041 32 2S -0.01057 0.00643 0.00486 0.00090 0.00088 33 2PX -0.04997 0.02060 -0.00365 0.00163 0.00172 34 2PY -0.00149 0.01009 -0.01041 -0.00111 0.00115 35 2PZ -0.01123 -0.00131 -0.00536 0.00161 0.00180 36 3S -0.02289 0.02248 0.00528 0.00410 -0.00056 37 3PX -0.00791 -0.00227 -0.00627 -0.00192 0.00068 38 3PY -0.00535 0.01266 -0.00700 0.00056 -0.00050 39 3PZ -0.00365 -0.00309 -0.00425 -0.00013 0.00108 40 4XX 0.00338 -0.00269 -0.00022 -0.00060 0.00013 41 4YY -0.00361 0.00250 0.00017 0.00047 -0.00009 42 4ZZ 0.00068 -0.00048 0.00007 0.00003 -0.00002 43 4XY -0.00091 0.00032 -0.00037 -0.00008 0.00017 44 4XZ 0.00076 -0.00095 0.00012 0.00002 0.00009 45 4YZ -0.00042 -0.00000 -0.00002 -0.00001 0.00008 46 4 C 1S -0.00731 0.00342 -0.00024 0.00059 0.00010 47 2S 0.01538 -0.00805 0.00025 -0.00138 -0.00021 48 2PX 0.04094 -0.01824 0.00518 -0.00312 -0.00047 49 2PY -0.00323 -0.00307 -0.00283 -0.00137 0.00007 50 2PZ 0.00079 0.00085 -0.00432 0.00291 -0.00024 51 3S 0.02092 -0.01989 -0.00462 -0.00464 0.00076 52 3PX 0.01957 -0.01414 -0.00046 -0.00330 0.00030 53 3PY -0.00800 0.00444 0.00091 0.00050 0.00006 54 3PZ -0.00159 0.00121 -0.00376 0.00229 -0.00014 55 4XX -0.00010 0.00053 -0.00000 0.00008 -0.00001 56 4YY -0.00116 0.00025 0.00007 0.00007 0.00001 57 4ZZ -0.00044 0.00008 -0.00001 0.00002 0.00003 58 4XY -0.00096 0.00094 -0.00027 0.00012 0.00003 59 4XZ -0.00005 -0.00014 -0.00015 -0.00004 0.00007 60 4YZ -0.00026 0.00047 -0.00001 -0.00006 -0.00004 61 5 C 1S 0.00223 0.00017 -0.00041 0.00003 0.00002 62 2S -0.00309 -0.00109 0.00108 -0.00025 0.00002 63 2PX 0.00285 -0.00449 0.00297 -0.00070 0.00031 64 2PY 0.00167 0.00402 0.00463 0.00124 0.00002 65 2PZ -0.00171 0.00750 0.00034 -0.00136 -0.00101 66 3S 0.00332 -0.00547 0.00191 -0.00083 -0.00007 67 3PX 0.00415 -0.00158 0.00132 -0.00014 -0.00004 68 3PY -0.00052 0.00210 0.00255 0.00039 0.00011 69 3PZ -0.00122 0.00570 -0.00002 0.00059 -0.00087 70 4XX 0.00175 -0.00084 0.00006 0.00000 -0.00000 71 4YY -0.00094 0.00049 -0.00016 0.00011 -0.00000 72 4ZZ 0.00002 0.00002 0.00005 -0.00014 0.00001 73 4XY -0.00075 0.00036 0.00013 0.00017 0.00002 74 4XZ 0.00038 -0.00007 0.00010 -0.00031 0.00000 75 4YZ 0.00015 0.00004 0.00032 -0.00042 0.00000 76 6 C 1S -0.00718 0.00463 -0.00057 0.00075 -0.00012 77 2S 0.01540 -0.01004 0.00210 -0.00145 0.00024 78 2PX 0.03461 -0.02460 -0.00265 -0.00193 0.00038 79 2PY -0.01523 0.00767 -0.00479 0.00208 -0.00008 80 2PZ 0.00996 -0.00084 0.00451 -0.01287 -0.00017 81 3S 0.01834 -0.01904 0.00807 -0.00230 0.00102 82 3PX 0.01676 -0.01472 0.00317 -0.00070 0.00052 83 3PY -0.00174 0.00107 -0.00100 0.00115 0.00000 84 3PZ 0.00611 -0.00022 0.00412 -0.00900 -0.00015 85 4XX 0.00029 -0.00008 -0.00019 0.00009 -0.00004 86 4YY -0.00174 0.00109 -0.00013 0.00016 -0.00002 87 4ZZ -0.00025 -0.00001 0.00006 -0.00011 0.00003 88 4XY 0.00050 -0.00065 0.00026 -0.00014 0.00003 89 4XZ 0.00053 -0.00052 0.00022 -0.00059 0.00007 90 4YZ -0.00002 -0.00017 0.00001 0.00015 0.00001 91 7 C 1S 0.00691 -0.00510 0.00205 -0.00006 0.00021 92 2S -0.01043 0.00821 -0.00486 -0.00033 -0.00031 93 2PX -0.04356 0.02536 -0.00142 0.00523 -0.00044 94 2PY 0.02887 -0.02610 -0.00157 -0.00484 0.00012 95 2PZ 0.00357 -0.00436 0.00614 -0.01414 0.00132 96 3S -0.02672 0.02513 -0.01107 0.00243 -0.00151 97 3PX -0.00945 0.00071 0.00360 0.00192 0.00006 98 3PY 0.01464 -0.01570 -0.00144 -0.00309 0.00049 99 3PZ 0.00640 -0.00539 0.00537 -0.01125 0.00102 100 4XX 0.00299 -0.00222 0.00076 -0.00051 0.00006 101 4YY -0.00291 0.00191 -0.00023 0.00020 0.00007 102 4ZZ 0.00046 -0.00043 -0.00000 0.00020 -0.00002 103 4XY -0.00184 0.00180 -0.00086 0.00010 -0.00015 104 4XZ 0.00028 -0.00050 -0.00007 0.00058 0.00003 105 4YZ -0.00068 0.00095 -0.00018 -0.00016 -0.00009 106 8 H 1S -0.01199 0.00582 -0.00362 -0.00091 -0.00035 107 2S -0.01369 0.01077 -0.00299 0.00135 -0.00057 108 9 H 1S -0.01235 0.00777 -0.00199 0.00136 -0.00014 109 2S -0.01750 0.01234 -0.00338 0.00184 -0.00039 110 10 H 1S 0.00331 -0.00083 -0.00056 0.00017 -0.00010 111 2S 0.01000 -0.00307 -0.00060 -0.00014 -0.00018 112 11 H 1S -0.01138 0.00781 -0.00077 0.00124 0.00016 113 2S -0.01620 0.01185 -0.00069 0.00174 0.00019 114 12 H 1S -0.01725 0.00580 0.00626 0.00224 -0.00048 115 2S -0.01758 0.01144 0.00147 0.00275 -0.00120 116 13 C 1S -0.00455 -0.00715 -0.00713 0.00664 -0.00067 117 2S 0.01297 0.01766 0.01713 -0.01619 0.00096 118 2PX -0.03040 -0.01938 -0.01788 0.02778 0.00395 119 2PY -0.02329 -0.02435 -0.00035 0.02504 0.00031 120 2PZ 0.04637 0.03566 0.03183 -0.02544 0.00248 121 3S -0.00249 0.01289 0.01354 -0.01634 0.00098 122 3PX -0.00286 -0.00672 -0.00661 0.00864 0.00119 123 3PY -0.00472 -0.00698 0.00104 0.01039 -0.00008 124 3PZ 0.01182 0.01084 0.01181 -0.00879 0.00092 125 4XX 0.00178 -0.00198 0.00087 -0.00086 0.00034 126 4YY 0.00012 0.00026 -0.00226 -0.00024 -0.00014 127 4ZZ -0.00113 0.00030 0.00005 0.00253 -0.00033 128 4XY 0.00345 0.00077 0.00008 -0.00187 -0.00004 129 4XZ -0.00459 -0.00098 -0.00151 0.00070 0.00003 130 4YZ -0.00209 -0.00172 -0.00008 0.00051 0.00014 131 14 C 1S 0.00243 0.00377 -0.00005 0.00006 -0.00106 132 2S -0.00624 -0.00598 -0.00095 0.00048 0.00192 133 2PX 0.01042 0.00726 0.00051 -0.00847 -0.00463 134 2PY 0.02019 0.00123 -0.00070 -0.00767 -0.00159 135 2PZ -0.02529 -0.00035 -0.00527 -0.00189 0.00009 136 3S -0.00578 -0.01318 0.00048 -0.00214 0.00283 137 3PX 0.00514 0.00575 0.00114 -0.00543 -0.00224 138 3PY 0.01057 0.00025 -0.00032 -0.00516 -0.00068 139 3PZ -0.01205 0.00080 -0.00292 -0.00279 0.00008 140 4XX 0.00063 0.00085 0.00079 -0.00016 0.00012 141 4YY 0.00067 0.00022 -0.00006 -0.00023 -0.00011 142 4ZZ -0.00097 -0.00044 -0.00075 0.00016 -0.00013 143 4XY 0.00144 0.00100 -0.00010 -0.00101 -0.00006 144 4XZ -0.00197 -0.00124 -0.00106 0.00075 0.00005 145 4YZ -0.00142 -0.00034 -0.00020 0.00015 0.00008 146 15 H 1S 0.02154 0.00438 0.00283 -0.00725 -0.00142 147 2S 0.02057 0.00988 0.00351 -0.00755 -0.00169 148 16 H 1S -0.01617 -0.00353 -0.00572 -0.00094 -0.00013 149 2S -0.01524 -0.00287 -0.00671 0.00410 -0.00089 150 17 H 1S -0.00735 -0.00137 0.00178 0.00282 0.00020 151 2S -0.00543 0.00047 0.00127 0.00337 -0.00030 152 18 H 1S -0.02357 -0.01051 -0.00973 0.01178 -0.00234 153 2S -0.02600 -0.00939 -0.01280 0.01988 -0.00285 154 19 H 1S 0.04036 0.01602 0.01288 0.05729 -0.00410 155 2S -0.00057 0.01387 0.01077 0.04888 -0.00343 156 20 H 1S 0.04313 0.01077 -0.05893 -0.00551 -0.00365 157 2S 0.00093 0.01226 -0.04838 -0.00481 -0.00275 11 12 13 14 15 11 4YY 0.00069 12 4ZZ -0.00016 0.00078 13 4XY -0.00018 0.00015 0.00032 14 4XZ -0.00010 0.00021 -0.00010 0.00047 15 4YZ 0.00004 0.00009 -0.00006 0.00015 0.00017 16 2 C 1S 0.00095 0.00132 0.00100 -0.00078 0.00021 17 2S -0.00212 -0.00291 -0.00191 0.00146 -0.00025 18 2PX -0.00288 -0.00411 -0.00293 0.00245 -0.00035 19 2PY 0.00285 0.00057 -0.00456 -0.00075 -0.00058 20 2PZ -0.00057 -0.00182 -0.00069 -0.00513 0.00076 21 3S -0.00242 -0.00230 -0.00155 0.00118 -0.00042 22 3PX -0.00025 -0.00069 -0.00058 0.00098 -0.00017 23 3PY 0.00079 0.00021 -0.00108 -0.00005 -0.00010 24 3PZ -0.00001 -0.00132 -0.00005 -0.00364 0.00027 25 4XX -0.00016 -0.00006 0.00008 -0.00004 -0.00003 26 4YY 0.00028 0.00001 -0.00005 -0.00006 0.00002 27 4ZZ 0.00005 0.00021 0.00007 0.00004 0.00005 28 4XY -0.00028 0.00022 0.00031 -0.00002 -0.00004 29 4XZ -0.00013 0.00021 -0.00002 0.00033 0.00012 30 4YZ -0.00003 -0.00001 0.00004 -0.00006 0.00001 31 3 C 1S 0.00039 -0.00035 -0.00083 -0.00008 -0.00001 32 2S -0.00085 0.00067 0.00172 0.00016 0.00002 33 2PX -0.00126 0.00093 0.00301 0.00123 0.00029 34 2PY -0.00096 0.00068 0.00179 0.00057 0.00015 35 2PZ 0.00007 -0.00148 0.00099 -0.00396 -0.00038 36 3S -0.00074 0.00215 0.00250 -0.00017 -0.00003 37 3PX -0.00026 -0.00018 0.00108 0.00078 0.00027 38 3PY 0.00031 0.00064 0.00059 0.00015 0.00008 39 3PZ 0.00024 -0.00123 0.00052 -0.00291 -0.00035 40 4XX -0.00006 -0.00016 -0.00009 0.00009 -0.00001 41 4YY 0.00009 0.00010 -0.00001 -0.00001 -0.00001 42 4ZZ 0.00000 -0.00002 -0.00005 -0.00007 0.00001 43 4XY -0.00009 -0.00002 0.00007 0.00008 -0.00000 44 4XZ -0.00004 -0.00006 -0.00000 -0.00013 0.00004 45 4YZ -0.00001 -0.00004 0.00002 -0.00015 0.00001 46 4 C 1S -0.00008 0.00012 0.00032 0.00004 0.00002 47 2S 0.00010 -0.00033 -0.00068 -0.00004 -0.00005 48 2PX 0.00015 -0.00043 -0.00124 -0.00026 -0.00003 49 2PY 0.00004 -0.00005 0.00017 0.00004 0.00007 50 2PZ 0.00032 -0.00007 -0.00009 0.00059 -0.00052 51 3S 0.00013 -0.00155 -0.00094 0.00021 0.00009 52 3PX 0.00008 -0.00082 -0.00056 -0.00003 0.00009 53 3PY -0.00014 0.00028 0.00033 -0.00007 0.00002 54 3PZ 0.00023 -0.00006 -0.00002 0.00069 -0.00036 55 4XX -0.00002 0.00006 0.00006 0.00006 0.00001 56 4YY 0.00001 -0.00001 0.00001 -0.00001 0.00000 57 4ZZ -0.00000 -0.00001 0.00002 -0.00004 -0.00000 58 4XY -0.00003 0.00004 0.00008 -0.00000 0.00001 59 4XZ 0.00001 -0.00007 0.00003 -0.00019 -0.00002 60 4YZ -0.00001 0.00005 0.00001 0.00013 0.00000 61 5 C 1S -0.00000 0.00008 -0.00001 -0.00001 -0.00001 62 2S 0.00001 -0.00019 0.00003 0.00004 0.00001 63 2PX 0.00001 -0.00047 0.00004 -0.00046 0.00001 64 2PY 0.00000 -0.00004 0.00004 -0.00031 -0.00001 65 2PZ -0.00002 0.00106 -0.00013 0.00306 -0.00007 66 3S 0.00002 -0.00030 0.00005 0.00008 0.00003 67 3PX 0.00002 -0.00007 0.00011 -0.00044 -0.00001 68 3PY -0.00008 -0.00005 0.00007 -0.00021 -0.00001 69 3PZ -0.00006 0.00097 -0.00010 0.00249 0.00000 70 4XX -0.00004 0.00002 0.00001 0.00000 -0.00000 71 4YY 0.00002 -0.00001 -0.00002 -0.00000 -0.00000 72 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 73 4XY -0.00002 0.00001 0.00005 0.00001 -0.00000 74 4XZ -0.00001 -0.00000 0.00001 -0.00001 -0.00000 75 4YZ -0.00002 0.00001 0.00000 -0.00000 0.00003 76 6 C 1S 0.00030 -0.00004 -0.00026 -0.00006 -0.00000 77 2S -0.00074 0.00000 0.00052 0.00014 -0.00001 78 2PX -0.00117 0.00014 0.00094 0.00016 -0.00002 79 2PY 0.00034 0.00002 -0.00035 -0.00008 -0.00001 80 2PZ -0.00035 0.00026 0.00005 0.00050 0.00026 81 3S -0.00146 -0.00042 0.00012 0.00027 -0.00009 82 3PX -0.00087 -0.00020 0.00024 0.00007 -0.00006 83 3PY 0.00001 0.00002 0.00008 0.00002 0.00002 84 3PZ -0.00026 0.00020 -0.00003 0.00057 0.00015 85 4XX 0.00001 0.00003 0.00001 0.00006 0.00000 86 4YY 0.00006 0.00000 -0.00007 -0.00001 -0.00000 87 4ZZ 0.00001 -0.00003 -0.00001 -0.00007 0.00000 88 4XY -0.00005 -0.00002 0.00008 0.00004 0.00001 89 4XZ -0.00000 -0.00008 0.00002 -0.00023 0.00001 90 4YZ -0.00000 -0.00001 0.00001 -0.00003 0.00000 91 7 C 1S -0.00064 0.00017 0.00074 0.00014 0.00006 92 2S 0.00147 -0.00041 -0.00154 -0.00028 -0.00007 93 2PX 0.00196 -0.00054 -0.00191 0.00043 -0.00010 94 2PY -0.00166 0.00007 0.00344 0.00071 0.00037 95 2PZ 0.00008 -0.00156 0.00008 -0.00414 0.00038 96 3S 0.00285 -0.00010 -0.00143 -0.00051 0.00007 97 3PX 0.00035 -0.00042 -0.00107 0.00040 -0.00009 98 3PY -0.00083 -0.00021 0.00095 0.00035 0.00006 99 3PZ -0.00009 -0.00120 0.00003 -0.00292 0.00020 100 4XX -0.00015 -0.00003 0.00008 0.00006 -0.00001 101 4YY 0.00005 -0.00002 -0.00003 -0.00003 -0.00000 102 4ZZ -0.00004 0.00003 0.00006 0.00001 0.00001 103 4XY 0.00012 0.00008 0.00017 -0.00007 0.00003 104 4XZ -0.00002 -0.00002 0.00002 -0.00006 0.00001 105 4YZ 0.00003 0.00007 0.00001 0.00020 -0.00001 106 8 H 1S 0.00069 -0.00020 0.00060 -0.00007 0.00017 107 2S 0.00032 0.00047 0.00140 0.00004 0.00023 108 9 H 1S 0.00033 0.00003 -0.00042 -0.00007 -0.00002 109 2S 0.00075 0.00008 -0.00072 -0.00019 -0.00003 110 10 H 1S -0.00008 0.00010 -0.00002 -0.00003 -0.00000 111 2S -0.00014 0.00018 -0.00003 -0.00004 -0.00002 112 11 H 1S -0.00014 0.00019 0.00043 0.00002 0.00003 113 2S -0.00023 0.00043 0.00087 0.00002 0.00005 114 12 H 1S 0.00040 0.00027 -0.00000 -0.00013 -0.00003 115 2S 0.00119 0.00028 -0.00066 -0.00028 -0.00003 116 13 C 1S 0.00042 -0.00058 -0.00172 0.00220 0.00158 117 2S -0.00120 0.00051 0.00314 -0.00409 -0.00277 118 2PX 0.00088 -0.00266 -0.00130 0.00195 0.00267 119 2PY -0.00104 0.00180 -0.00096 0.00254 0.00091 120 2PZ -0.00161 -0.00322 0.00302 -0.00190 -0.00030 121 3S -0.00106 0.00030 0.00291 -0.00481 -0.00253 122 3PX 0.00030 -0.00087 -0.00034 0.00039 0.00102 123 3PY -0.00048 0.00092 -0.00022 0.00125 0.00034 124 3PZ -0.00088 -0.00092 0.00130 -0.00051 -0.00012 125 4XX -0.00013 -0.00027 -0.00003 0.00004 -0.00001 126 4YY 0.00028 -0.00016 -0.00019 0.00013 0.00014 127 4ZZ -0.00008 0.00052 0.00004 0.00008 -0.00001 128 4XY 0.00008 -0.00015 0.00008 -0.00014 -0.00010 129 4XZ 0.00011 0.00003 -0.00006 0.00001 -0.00002 130 4YZ -0.00004 -0.00008 -0.00012 0.00016 0.00009 131 14 C 1S 0.00001 0.00058 -0.00000 -0.00000 -0.00013 132 2S -0.00008 -0.00124 0.00003 0.00001 0.00028 133 2PX 0.00020 0.00303 -0.00098 0.00062 -0.00050 134 2PY 0.00145 -0.00073 0.00050 0.00041 -0.00034 135 2PZ 0.00065 -0.00021 0.00021 0.00030 -0.00042 136 3S -0.00022 -0.00220 -0.00051 0.00067 0.00025 137 3PX 0.00003 0.00156 -0.00013 -0.00030 -0.00040 138 3PY 0.00073 -0.00052 0.00024 0.00004 -0.00023 139 3PZ 0.00045 -0.00029 0.00015 -0.00020 -0.00028 140 4XX -0.00006 -0.00004 0.00012 -0.00013 -0.00004 141 4YY -0.00001 0.00007 -0.00007 0.00001 0.00001 142 4ZZ 0.00009 0.00006 -0.00004 0.00008 -0.00001 143 4XY 0.00011 -0.00011 0.00006 -0.00008 -0.00003 144 4XZ 0.00005 0.00000 -0.00006 0.00003 0.00000 145 4YZ -0.00002 -0.00001 -0.00002 -0.00001 -0.00000 146 15 H 1S 0.00046 0.00005 0.00009 0.00003 -0.00012 147 2S 0.00047 0.00027 0.00035 -0.00029 -0.00021 148 16 H 1S 0.00071 -0.00016 -0.00008 0.00048 -0.00021 149 2S 0.00064 0.00072 -0.00019 0.00078 -0.00009 150 17 H 1S -0.00098 0.00099 -0.00056 0.00003 0.00018 151 2S -0.00077 0.00120 -0.00048 0.00006 0.00014 152 18 H 1S 0.00021 0.00360 -0.00034 -0.00031 -0.00114 153 2S 0.00032 0.00397 -0.00072 0.00129 -0.00020 154 19 H 1S -0.00245 0.00679 0.00088 0.00371 0.00262 155 2S -0.00221 0.00647 0.00088 0.00355 0.00200 156 20 H 1S 0.00679 -0.00290 -0.00233 -0.00024 0.00120 157 2S 0.00600 -0.00242 -0.00231 -0.00055 0.00081 16 17 18 19 20 16 2 C 1S 1.02621 17 2S -0.03217 0.16757 18 2PX 0.00183 -0.00281 0.20522 19 2PY -0.00034 0.00042 0.00157 0.21376 20 2PZ 0.00024 -0.00034 0.00634 0.00332 0.16653 21 3S -0.08201 0.12628 0.00339 0.00498 -0.00456 22 3PX -0.00270 0.01156 0.02925 0.00694 -0.01810 23 3PY -0.00020 -0.00152 0.00241 0.03408 0.00147 24 3PZ -0.00041 0.00218 -0.01188 -0.00333 0.09959 25 4XX -0.00840 -0.00191 0.00473 -0.00383 0.00137 26 4YY -0.00813 -0.00199 -0.00388 0.00412 -0.00045 27 4ZZ -0.00570 -0.00754 0.00043 -0.00029 -0.00107 28 4XY 0.00013 -0.00014 -0.00404 -0.00694 -0.00106 29 4XZ -0.00051 0.00108 0.00119 -0.00094 -0.00385 30 4YZ -0.00018 0.00046 -0.00111 -0.00083 0.00055 31 3 C 1S 0.00859 -0.01715 0.02630 0.02990 0.00658 32 2S -0.01701 0.02965 -0.05093 -0.06169 -0.01308 33 2PX -0.02643 0.05532 -0.06232 -0.08286 -0.03451 34 2PY -0.02891 0.05803 -0.07889 -0.08151 -0.02712 35 2PZ -0.00660 0.01377 -0.03495 -0.02794 0.09971 36 3S -0.00085 0.01450 -0.07341 -0.05859 -0.01480 37 3PX -0.00394 0.01037 -0.00632 -0.05171 -0.01556 38 3PY -0.00410 0.01572 -0.03725 -0.01695 -0.01359 39 3PZ -0.00111 0.00300 -0.01721 -0.01582 0.07093 40 4XX -0.00067 0.00061 0.00536 -0.00202 -0.00041 41 4YY -0.00111 0.00154 -0.00375 0.00490 -0.00086 42 4ZZ 0.00086 -0.00199 0.00213 0.00192 0.00237 43 4XY -0.00280 0.00547 -0.00303 -0.00421 -0.00185 44 4XZ -0.00054 0.00097 -0.00045 -0.00152 0.00404 45 4YZ -0.00067 0.00125 -0.00184 -0.00085 0.00404 46 4 C 1S -0.00166 0.00428 -0.00660 -0.00342 -0.00132 47 2S 0.00419 -0.00950 0.01631 0.00915 0.00350 48 2PX 0.00752 -0.01879 0.02278 0.01195 0.00611 49 2PY 0.00129 -0.00217 0.00129 0.00427 0.00129 50 2PZ 0.00138 -0.00342 0.00549 0.00313 -0.00736 51 3S -0.00066 -0.00554 0.03816 -0.01120 0.00626 52 3PX 0.00209 -0.00748 0.02182 -0.00608 0.00547 53 3PY -0.00337 0.00357 -0.01195 -0.00098 -0.00145 54 3PZ 0.00016 -0.00106 0.00544 0.00020 -0.01287 55 4XX -0.00055 0.00117 -0.00253 -0.00229 -0.00205 56 4YY 0.00021 -0.00024 0.00064 0.00057 0.00053 57 4ZZ -0.00002 0.00019 -0.00021 -0.00021 0.00106 58 4XY -0.00085 0.00182 -0.00302 -0.00292 -0.00059 59 4XZ -0.00017 0.00035 -0.00158 -0.00101 0.00446 60 4YZ -0.00013 0.00027 0.00002 -0.00024 -0.00290 61 5 C 1S -0.00173 0.00284 -0.00401 0.00092 -0.00062 62 2S 0.00300 -0.00592 0.00905 -0.00216 0.00147 63 2PX 0.00397 -0.00790 0.00961 -0.00692 0.01258 64 2PY -0.00085 0.00167 -0.00668 -0.01560 0.00257 65 2PZ 0.00066 -0.00145 0.01272 0.00263 -0.06489 66 3S 0.01167 -0.01621 0.02193 -0.00477 0.00281 67 3PX 0.00530 -0.00704 0.00096 -0.00247 0.00873 68 3PY -0.00102 0.00119 -0.00394 -0.00880 0.00270 69 3PZ 0.00086 -0.00129 0.00934 0.00290 -0.05345 70 4XX 0.00010 -0.00040 0.00017 -0.00049 -0.00013 71 4YY -0.00016 0.00041 -0.00017 0.00055 0.00002 72 4ZZ -0.00020 0.00025 -0.00005 -0.00005 0.00012 73 4XY -0.00007 0.00021 -0.00038 -0.00120 -0.00019 74 4XZ 0.00006 -0.00012 -0.00007 -0.00021 0.00038 75 4YZ -0.00000 0.00005 -0.00007 -0.00016 -0.00011 76 6 C 1S -0.00166 0.00428 -0.00467 0.00592 -0.00037 77 2S 0.00416 -0.00941 0.01165 -0.01521 0.00076 78 2PX 0.00629 -0.01616 0.01490 -0.01725 0.00269 79 2PY -0.00435 0.01001 -0.00664 0.01303 0.00034 80 2PZ 0.00078 -0.00213 0.00323 -0.00146 -0.00740 81 3S -0.00039 -0.00664 0.03596 -0.00862 0.00772 82 3PX 0.00362 -0.00933 0.02112 -0.00689 0.00592 83 3PY 0.00226 -0.00004 0.00017 -0.00305 -0.00054 84 3PZ 0.00074 -0.00164 0.00552 -0.00052 -0.01145 85 4XX 0.00010 -0.00022 -0.00010 0.00030 -0.00157 86 4YY -0.00050 0.00125 -0.00097 0.00254 -0.00004 87 4ZZ 0.00003 0.00010 -0.00010 -0.00023 0.00165 88 4XY 0.00090 -0.00184 0.00207 -0.00447 -0.00047 89 4XZ 0.00007 -0.00019 -0.00087 -0.00066 0.00524 90 4YZ 0.00011 -0.00021 0.00017 -0.00058 0.00042 91 7 C 1S 0.00850 -0.01690 0.01230 -0.03816 -0.00069 92 2S -0.01683 0.02929 -0.02247 0.07730 0.00220 93 2PX -0.01262 0.02744 -0.00549 0.05363 -0.01508 94 2PY 0.03743 -0.07616 0.04961 -0.14349 -0.00923 95 2PZ 0.00043 -0.00055 -0.01561 -0.00891 0.10299 96 3S -0.00010 0.01406 -0.04061 0.08567 -0.00631 97 3PX -0.00128 0.00141 0.02053 0.03246 -0.00458 98 3PY 0.00493 -0.01788 0.02208 -0.05199 -0.00213 99 3PZ 0.00019 -0.00096 -0.00727 -0.00372 0.07117 100 4XX 0.00105 -0.00266 0.00483 -0.00386 -0.00016 101 4YY -0.00292 0.00510 -0.00458 0.00112 0.00002 102 4ZZ 0.00102 -0.00225 0.00131 -0.00321 -0.00006 103 4XY 0.00173 -0.00336 -0.00398 -0.00470 -0.00012 104 4XZ 0.00012 -0.00029 0.00006 -0.00062 0.00209 105 4YZ -0.00002 0.00003 -0.00013 0.00001 -0.00595 106 8 H 1S 0.00606 -0.01331 -0.00220 -0.02435 -0.00225 107 2S 0.00782 -0.01520 -0.01648 -0.04856 -0.00707 108 9 H 1S -0.00411 0.00912 -0.00659 0.01647 0.00004 109 2S -0.00620 0.01274 -0.01447 0.03073 0.00005 110 10 H 1S -0.00038 0.00054 -0.00208 0.00057 -0.00036 111 2S 0.00056 -0.00105 -0.00248 0.00096 -0.00063 112 11 H 1S -0.00409 0.00905 -0.01243 -0.01210 -0.00300 113 2S -0.00620 0.01273 -0.02491 -0.02192 -0.00606 114 12 H 1S 0.00609 -0.01343 0.00737 0.02336 0.00294 115 2S 0.00788 -0.01522 0.00506 0.05214 0.00375 116 13 C 1S -0.00148 0.00340 0.00578 0.00103 -0.00267 117 2S 0.00278 -0.00678 -0.01276 -0.00210 0.00470 118 2PX -0.00439 0.01287 0.01761 0.00214 -0.00054 119 2PY -0.00292 0.00663 0.01784 -0.00343 -0.00273 120 2PZ 0.00050 -0.00007 -0.00346 -0.00124 -0.00650 121 3S 0.00397 -0.00902 -0.02612 -0.01356 0.03375 122 3PX -0.00476 0.00687 0.00213 -0.00574 0.00912 123 3PY -0.00158 0.00229 0.00757 -0.00127 -0.00811 124 3PZ 0.00000 0.00050 -0.00427 -0.01197 -0.00303 125 4XX -0.00101 0.00210 0.00485 -0.00060 -0.00054 126 4YY 0.00005 -0.00013 -0.00088 0.00057 -0.00023 127 4ZZ 0.00053 -0.00119 -0.00259 -0.00023 0.00041 128 4XY 0.00000 -0.00001 0.00039 -0.00024 0.00007 129 4XZ 0.00005 -0.00017 -0.00101 0.00019 0.00002 130 4YZ -0.00043 0.00084 0.00166 -0.00022 -0.00016 131 14 C 1S 0.00099 -0.00277 -0.00536 0.00036 0.00021 132 2S -0.00267 0.00597 0.01074 -0.00134 0.00062 133 2PX 0.00414 -0.01128 -0.01943 0.00096 0.00005 134 2PY 0.00147 -0.00255 -0.00602 0.00163 -0.00076 135 2PZ 0.00006 -0.00065 -0.00063 -0.00022 0.00284 136 3S -0.00199 0.00922 0.03257 0.00656 -0.01259 137 3PX 0.00147 -0.00600 -0.01653 -0.00341 0.00799 138 3PY 0.00065 -0.00110 -0.00202 0.00069 0.00144 139 3PZ 0.00005 -0.00070 -0.00291 0.00056 0.00505 140 4XX 0.00011 -0.00014 -0.00035 0.00017 -0.00010 141 4YY -0.00001 -0.00018 -0.00042 0.00004 -0.00005 142 4ZZ -0.00001 -0.00016 -0.00029 0.00004 0.00018 143 4XY 0.00018 -0.00035 -0.00114 0.00034 0.00006 144 4XZ -0.00011 0.00030 0.00080 -0.00004 0.00029 145 4YZ -0.00012 0.00022 0.00054 -0.00009 0.00020 146 15 H 1S 0.00135 -0.00298 -0.00731 0.00120 -0.00158 147 2S 0.00246 -0.00532 -0.01488 0.00160 -0.00055 148 16 H 1S -0.00025 0.00017 0.00119 0.00019 0.00189 149 2S 0.00045 -0.00166 -0.00282 -0.00030 -0.00073 150 17 H 1S -0.00061 0.00045 0.00277 -0.00150 -0.00039 151 2S 0.00020 -0.00123 -0.00080 -0.00059 -0.00077 152 18 H 1S 0.00229 -0.00680 -0.01166 -0.00031 0.00514 153 2S 0.00263 -0.00654 -0.01355 -0.00371 -0.00738 154 19 H 1S 0.00415 -0.01088 -0.01604 -0.00032 -0.00639 155 2S 0.00639 -0.01369 -0.02817 -0.00429 -0.01970 156 20 H 1S 0.00376 -0.00847 -0.00939 0.01132 -0.00149 157 2S 0.00493 -0.01049 -0.02137 0.02900 -0.00041 21 22 23 24 25 21 3S 0.11434 22 3PX 0.00759 0.01303 23 3PY -0.00088 0.00058 0.01252 24 3PZ -0.00179 -0.01228 0.00005 0.06194 25 4XX -0.00048 -0.00058 -0.00013 0.00042 0.00067 26 4YY -0.00235 0.00007 0.00039 0.00001 -0.00031 27 4ZZ -0.00502 -0.00029 -0.00007 -0.00082 0.00009 28 4XY -0.00043 -0.00020 -0.00135 -0.00011 -0.00000 29 4XZ 0.00091 0.00038 -0.00017 -0.00262 0.00002 30 4YZ 0.00005 -0.00031 -0.00028 0.00052 -0.00005 31 3 C 1S 0.00282 0.00018 0.00315 0.00041 -0.00061 32 2S 0.01053 -0.01184 -0.00879 -0.00298 0.00084 33 2PX 0.02674 0.01249 -0.02120 -0.01109 -0.00574 34 2PY 0.05782 -0.01587 -0.00813 -0.00829 0.00253 35 2PZ 0.00742 -0.01019 -0.00390 0.06313 0.00058 36 3S -0.00401 -0.00940 -0.00413 -0.00154 -0.00040 37 3PX -0.00076 0.00498 -0.00912 -0.00657 -0.00124 38 3PY 0.01275 -0.00300 0.00053 -0.00438 -0.00010 39 3PZ -0.00025 -0.00716 -0.00112 0.04466 0.00074 40 4XX 0.00141 0.00037 -0.00013 -0.00069 0.00031 41 4YY -0.00030 0.00068 0.00060 -0.00022 -0.00044 42 4ZZ -0.00091 0.00019 0.00022 0.00128 0.00001 43 4XY 0.00536 -0.00005 -0.00136 -0.00077 -0.00005 44 4XZ 0.00063 -0.00083 -0.00023 0.00266 0.00005 45 4YZ 0.00084 -0.00060 -0.00024 0.00257 -0.00001 46 4 C 1S -0.00336 0.00459 -0.00280 0.00052 -0.00097 47 2S -0.00308 -0.00377 0.00690 0.00006 0.00211 48 2PX -0.01510 -0.01574 0.01163 0.00041 0.00538 49 2PY -0.02791 0.00973 0.02171 0.00380 -0.00081 50 2PZ -0.00167 0.00422 0.00404 -0.00979 0.00171 51 3S 0.00295 0.00021 0.00286 0.00113 0.00237 52 3PX -0.00759 -0.00411 0.00019 0.00162 0.00200 53 3PY -0.00388 0.00216 0.00543 0.00131 -0.00061 54 3PZ 0.00075 0.00487 0.00089 -0.01125 0.00083 55 4XX 0.00169 -0.00085 -0.00053 -0.00110 0.00010 56 4YY -0.00117 0.00083 -0.00052 0.00037 -0.00021 57 4ZZ 0.00014 0.00012 -0.00013 0.00068 -0.00006 58 4XY 0.00238 -0.00056 -0.00159 -0.00010 -0.00005 59 4XZ 0.00040 -0.00083 -0.00019 0.00285 0.00008 60 4YZ 0.00041 0.00038 -0.00034 -0.00198 -0.00003 61 5 C 1S 0.01429 -0.00731 0.00177 -0.00114 0.00016 62 2S -0.02097 0.00943 -0.00239 0.00154 -0.00052 63 2PX -0.02990 0.00095 -0.00581 0.00813 -0.00031 64 2PY 0.00789 -0.00624 -0.02498 0.00104 0.00068 65 2PZ -0.00119 0.01106 -0.00349 -0.04677 0.00009 66 3S -0.03165 0.00965 -0.00263 0.00115 -0.00023 67 3PX -0.01205 -0.00291 -0.00112 0.00563 0.00033 68 3PY 0.00289 -0.00173 -0.00820 0.00214 0.00037 69 3PZ 0.00066 0.00835 -0.00120 -0.03751 0.00005 70 4XX 0.00040 -0.00099 -0.00021 -0.00023 0.00022 71 4YY 0.00062 0.00048 0.00043 0.00011 -0.00009 72 4ZZ 0.00072 -0.00021 -0.00003 0.00002 -0.00001 73 4XY 0.00008 0.00007 -0.00137 -0.00012 -0.00011 74 4XZ -0.00007 -0.00021 -0.00019 0.00006 0.00005 75 4YZ -0.00012 -0.00016 -0.00026 0.00001 -0.00006 76 6 C 1S -0.00281 0.00575 0.00004 0.00109 -0.00059 77 2S -0.00387 -0.00692 -0.00371 -0.00172 0.00140 78 2PX -0.00629 -0.01875 0.00820 -0.00185 0.00319 79 2PY 0.03034 0.00702 0.02309 0.00337 -0.00099 80 2PZ 0.00040 -0.00365 0.00116 -0.00885 0.00038 81 3S 0.00236 -0.00232 -0.00265 0.00068 0.00137 82 3PX -0.00645 -0.00378 0.00403 0.00159 0.00158 83 3PY 0.00628 0.00149 0.00499 0.00049 0.00004 84 3PZ -0.00101 -0.00045 -0.00016 -0.00978 0.00013 85 4XX -0.00025 -0.00030 -0.00027 -0.00110 0.00002 86 4YY 0.00101 0.00091 0.00131 0.00020 -0.00016 87 4ZZ -0.00004 0.00003 -0.00013 0.00113 -0.00003 88 4XY -0.00282 0.00068 -0.00159 -0.00034 0.00005 89 4XZ -0.00053 -0.00101 -0.00020 0.00337 0.00003 90 4YZ -0.00045 0.00005 -0.00012 0.00046 -0.00001 91 7 C 1S 0.00222 -0.00193 -0.00270 -0.00056 0.00110 92 2S 0.01144 -0.00589 0.01242 0.00039 -0.00260 93 2PX 0.00653 0.02717 0.00416 -0.00545 -0.00501 94 2PY -0.06904 0.00045 -0.02038 -0.00625 0.00342 95 2PZ -0.00860 -0.01336 -0.00286 0.06431 -0.00019 96 3S -0.00232 -0.00296 0.00668 -0.00312 -0.00404 97 3PX -0.00376 0.01086 0.00373 -0.00407 -0.00139 98 3PY -0.01353 -0.00112 -0.00396 -0.00191 0.00178 99 3PZ -0.00514 -0.01065 -0.00109 0.04434 0.00016 100 4XX -0.00227 0.00002 -0.00086 -0.00054 0.00025 101 4YY 0.00363 0.00051 0.00017 0.00057 -0.00025 102 4ZZ -0.00120 0.00026 -0.00048 -0.00000 0.00012 103 4XY -0.00453 -0.00045 -0.00139 0.00038 -0.00010 104 4XZ -0.00057 -0.00032 -0.00014 0.00138 0.00003 105 4YZ -0.00019 0.00075 -0.00016 -0.00358 -0.00009 106 8 H 1S -0.02850 0.00618 -0.00643 0.00079 -0.00162 107 2S -0.02786 0.00458 -0.01189 -0.00064 -0.00116 108 9 H 1S 0.02000 0.00529 0.01390 0.00189 -0.00098 109 2S 0.01892 0.00627 0.01682 0.00252 -0.00155 110 10 H 1S 0.00937 -0.00138 0.00035 -0.00027 0.00075 111 2S 0.01164 -0.00651 0.00186 -0.00122 0.00155 112 11 H 1S 0.02005 -0.00114 -0.01531 -0.00132 -0.00122 113 2S 0.01872 -0.00162 -0.01831 -0.00183 -0.00156 114 12 H 1S -0.02812 0.00752 0.00122 0.00120 -0.00279 115 2S -0.02709 0.00933 0.00743 0.00148 -0.00332 116 13 C 1S 0.00254 0.00184 0.00126 -0.00332 -0.00052 117 2S -0.00517 -0.00367 -0.00549 0.00684 0.00104 118 2PX 0.01717 0.00186 -0.01082 -0.00350 -0.00226 119 2PY 0.00619 0.00074 -0.00113 -0.00658 -0.00107 120 2PZ 0.00119 0.00343 -0.01128 0.00021 0.00216 121 3S -0.00813 -0.00871 -0.00469 0.02594 0.00064 122 3PX 0.00572 -0.00147 -0.00355 0.00499 -0.00054 123 3PY 0.00177 0.00131 -0.00088 -0.00708 -0.00029 124 3PZ 0.00004 0.00089 -0.00482 0.00014 0.00066 125 4XX 0.00213 0.00080 -0.00040 -0.00057 0.00010 126 4YY -0.00045 0.00004 0.00049 -0.00008 -0.00006 127 4ZZ -0.00132 -0.00055 0.00044 0.00009 -0.00005 128 4XY -0.00047 -0.00008 -0.00003 0.00020 0.00014 129 4XZ 0.00013 -0.00014 -0.00014 0.00002 -0.00017 130 4YZ 0.00102 0.00025 -0.00010 -0.00032 -0.00007 131 14 C 1S -0.00271 0.00040 0.00159 0.00046 0.00014 132 2S 0.00759 0.00249 -0.00374 -0.00014 -0.00026 133 2PX -0.01545 -0.00208 0.01584 0.00075 0.00073 134 2PY -0.01395 -0.00645 -0.00102 -0.00093 0.00016 135 2PZ 0.00178 0.00516 -0.00605 0.00154 -0.00003 136 3S 0.01358 0.00709 -0.00398 -0.00993 -0.00008 137 3PX -0.00875 -0.00304 0.00719 0.00616 0.00038 138 3PY -0.00655 -0.00319 -0.00053 0.00079 0.00014 139 3PZ 0.00022 0.00146 -0.00285 0.00343 -0.00001 140 4XX 0.00003 -0.00015 -0.00046 0.00006 0.00001 141 4YY -0.00019 -0.00003 0.00069 0.00002 0.00002 142 4ZZ -0.00044 0.00001 0.00006 0.00001 -0.00002 143 4XY -0.00081 -0.00038 -0.00008 0.00021 0.00002 144 4XZ 0.00047 0.00014 -0.00016 0.00005 -0.00007 145 4YZ 0.00062 0.00035 -0.00021 0.00011 -0.00001 146 15 H 1S -0.00965 -0.00471 0.00468 -0.00053 0.00029 147 2S -0.01150 -0.00529 0.00427 0.00092 0.00029 148 16 H 1S 0.00012 0.00283 -0.00299 0.00051 -0.00014 149 2S -0.00228 0.00182 -0.00135 -0.00135 -0.00027 150 17 H 1S 0.00583 0.00337 0.00446 -0.00016 0.00006 151 2S 0.00292 0.00227 0.00448 -0.00033 0.00004 152 18 H 1S -0.00764 -0.00438 0.00646 0.00218 -0.00080 153 2S -0.00792 -0.00225 0.00610 -0.00626 -0.00117 154 19 H 1S -0.01417 -0.00221 0.00000 -0.00963 0.00063 155 2S -0.01369 -0.00257 -0.00096 -0.01586 -0.00079 156 20 H 1S -0.01819 0.00006 0.00716 0.00073 0.00005 157 2S -0.01645 -0.00046 0.00772 0.00209 -0.00165 26 27 28 29 30 26 4YY 0.00060 27 4ZZ 0.00011 0.00045 28 4XY -0.00006 0.00002 0.00070 29 4XZ -0.00010 0.00005 0.00003 0.00032 30 4YZ -0.00001 0.00003 0.00005 0.00002 0.00036 31 3 C 1S -0.00101 0.00083 -0.00293 -0.00053 -0.00065 32 2S 0.00109 -0.00190 0.00583 0.00103 0.00124 33 2PX 0.00236 -0.00148 0.00304 0.00032 0.00162 34 2PY -0.00508 -0.00208 0.00390 0.00164 0.00075 35 2PZ 0.00068 -0.00252 0.00190 -0.00459 -0.00429 36 3S 0.00182 -0.00117 0.00648 0.00056 0.00120 37 3PX 0.00037 -0.00008 0.00137 0.00044 0.00087 38 3PY -0.00098 -0.00052 0.00109 0.00039 0.00031 39 3PZ 0.00047 -0.00155 0.00114 -0.00321 -0.00322 40 4XX -0.00028 -0.00002 -0.00006 0.00006 -0.00008 41 4YY 0.00042 -0.00007 -0.00008 -0.00006 0.00003 42 4ZZ -0.00009 0.00012 -0.00022 -0.00006 0.00000 43 4XY -0.00018 -0.00019 0.00012 0.00006 0.00001 44 4XZ -0.00008 -0.00003 0.00001 0.00001 0.00018 45 4YZ 0.00001 -0.00009 0.00004 -0.00013 0.00002 46 4 C 1S 0.00059 0.00002 -0.00013 -0.00020 0.00002 47 2S -0.00114 0.00012 0.00017 0.00040 -0.00007 48 2PX -0.00242 0.00029 0.00105 0.00152 0.00088 49 2PY 0.00050 0.00009 -0.00009 0.00001 0.00041 50 2PZ 0.00031 -0.00126 0.00121 -0.00190 -0.00489 51 3S -0.00203 0.00021 0.00013 0.00041 -0.00008 52 3PX -0.00111 0.00026 -0.00014 0.00058 0.00054 53 3PY 0.00012 -0.00002 0.00061 0.00008 0.00043 54 3PZ 0.00032 -0.00081 0.00073 -0.00112 -0.00358 55 4XX -0.00006 -0.00004 0.00019 0.00011 0.00008 56 4YY 0.00013 0.00002 -0.00009 -0.00006 -0.00001 57 4ZZ 0.00004 -0.00001 -0.00002 -0.00007 -0.00004 58 4XY -0.00011 -0.00005 0.00008 0.00001 0.00001 59 4XZ -0.00001 -0.00009 0.00009 -0.00016 -0.00013 60 4YZ -0.00002 0.00001 -0.00000 0.00004 0.00006 61 5 C 1S -0.00013 -0.00020 -0.00009 0.00007 -0.00001 62 2S 0.00041 0.00025 0.00027 -0.00014 0.00006 63 2PX 0.00018 0.00013 0.00050 -0.00011 0.00009 64 2PY -0.00063 -0.00001 0.00141 0.00021 0.00019 65 2PZ -0.00004 0.00017 0.00021 0.00033 0.00004 66 3S 0.00090 0.00057 0.00032 -0.00013 0.00006 67 3PX 0.00001 0.00012 0.00023 -0.00004 0.00001 68 3PY -0.00047 0.00001 0.00124 0.00013 0.00020 69 3PZ -0.00004 0.00024 0.00014 0.00062 -0.00006 70 4XX -0.00009 -0.00001 -0.00011 0.00005 -0.00005 71 4YY 0.00001 -0.00001 0.00006 -0.00002 -0.00003 72 4ZZ -0.00001 0.00000 -0.00001 -0.00001 0.00006 73 4XY 0.00006 -0.00001 -0.00002 -0.00003 -0.00006 74 4XZ -0.00002 -0.00001 -0.00003 -0.00004 0.00007 75 4YZ -0.00003 0.00007 -0.00006 0.00007 0.00032 76 6 C 1S 0.00024 0.00003 0.00078 -0.00007 0.00015 77 2S -0.00049 0.00009 -0.00155 0.00015 -0.00032 78 2PX -0.00016 -0.00016 -0.00400 0.00035 -0.00165 79 2PY -0.00020 -0.00004 0.00136 -0.00009 -0.00020 80 2PZ -0.00079 0.00069 -0.00151 -0.00004 0.00538 81 3S -0.00115 0.00021 -0.00209 0.00003 -0.00039 82 3PX -0.00047 0.00010 -0.00110 0.00014 -0.00088 83 3PY -0.00014 0.00006 0.00074 0.00009 -0.00020 84 3PZ -0.00063 0.00062 -0.00082 0.00025 0.00385 85 4XX 0.00013 -0.00002 -0.00008 0.00003 -0.00006 86 4YY -0.00000 -0.00003 0.00008 -0.00002 0.00002 87 4ZZ -0.00001 0.00001 0.00007 -0.00003 0.00007 88 4XY -0.00002 0.00009 0.00025 0.00001 0.00002 89 4XZ -0.00000 -0.00001 -0.00004 -0.00011 0.00020 90 4YZ 0.00000 0.00002 0.00004 0.00004 -0.00003 91 7 C 1S -0.00297 0.00102 0.00185 0.00016 -0.00002 92 2S 0.00511 -0.00227 -0.00387 -0.00039 -0.00003 93 2PX 0.00360 -0.00081 0.00379 -0.00014 -0.00001 94 2PY -0.00059 0.00318 0.00518 0.00063 0.00011 95 2PZ -0.00021 0.00002 0.00011 -0.00260 0.00615 96 3S 0.00610 -0.00142 -0.00330 -0.00062 0.00004 97 3PX 0.00138 -0.00001 0.00026 0.00001 -0.00047 98 3PY -0.00071 0.00068 0.00141 0.00030 -0.00019 99 3PZ -0.00037 0.00004 -0.00048 -0.00169 0.00428 100 4XX -0.00013 0.00011 -0.00003 0.00004 0.00003 101 4YY 0.00010 -0.00020 0.00023 -0.00002 0.00006 102 4ZZ -0.00020 0.00014 0.00014 0.00002 -0.00005 103 4XY 0.00023 0.00012 0.00037 -0.00005 0.00008 104 4XZ 0.00006 -0.00003 0.00003 -0.00002 -0.00017 105 4YZ 0.00006 0.00005 0.00005 0.00015 0.00005 106 8 H 1S 0.00320 0.00030 0.00308 -0.00015 0.00074 107 2S 0.00178 0.00065 0.00437 0.00006 0.00080 108 9 H 1S -0.00015 -0.00012 0.00058 -0.00013 0.00010 109 2S 0.00028 -0.00028 0.00040 -0.00025 0.00012 110 10 H 1S -0.00031 -0.00000 -0.00029 0.00013 -0.00007 111 2S -0.00075 -0.00005 -0.00063 0.00027 -0.00017 112 11 H 1S 0.00008 -0.00012 -0.00001 -0.00022 0.00001 113 2S 0.00020 -0.00024 0.00055 -0.00021 0.00012 114 12 H 1S 0.00438 0.00025 0.00012 -0.00059 0.00037 115 2S 0.00423 0.00044 -0.00165 -0.00088 0.00000 116 13 C 1S 0.00012 0.00009 -0.00055 0.00067 -0.00017 117 2S -0.00035 -0.00016 0.00120 -0.00137 0.00031 118 2PX 0.00112 0.00055 -0.00186 0.00233 -0.00036 119 2PY -0.00034 0.00057 -0.00010 0.00175 -0.00047 120 2PZ -0.00027 -0.00076 0.00162 -0.00089 0.00061 121 3S -0.00007 -0.00031 0.00167 -0.00236 0.00026 122 3PX 0.00023 0.00006 -0.00061 0.00067 0.00041 123 3PY -0.00016 0.00026 0.00009 0.00089 -0.00024 124 3PZ -0.00013 -0.00030 0.00112 -0.00034 0.00009 125 4XX -0.00011 -0.00008 -0.00007 0.00005 -0.00002 126 4YY 0.00010 -0.00001 -0.00013 -0.00001 0.00000 127 4ZZ -0.00002 0.00009 0.00009 0.00008 -0.00001 128 4XY -0.00004 -0.00005 -0.00003 -0.00010 0.00002 129 4XZ 0.00008 0.00004 -0.00005 0.00001 -0.00001 130 4YZ -0.00001 0.00000 -0.00003 0.00006 -0.00000 131 14 C 1S -0.00008 -0.00003 0.00019 -0.00018 0.00002 132 2S 0.00002 -0.00010 -0.00043 0.00037 -0.00004 133 2PX -0.00042 -0.00010 0.00087 -0.00108 0.00014 134 2PY 0.00013 -0.00002 -0.00006 -0.00040 0.00003 135 2PZ -0.00003 -0.00001 -0.00012 -0.00038 -0.00006 136 3S -0.00024 -0.00016 -0.00101 0.00072 -0.00045 137 3PX -0.00017 -0.00011 0.00068 -0.00084 0.00026 138 3PY 0.00002 -0.00004 -0.00008 -0.00030 0.00008 139 3PZ 0.00005 -0.00005 -0.00010 -0.00039 0.00011 140 4XX 0.00001 0.00001 0.00004 -0.00000 0.00001 141 4YY -0.00001 -0.00001 0.00001 -0.00002 0.00001 142 4ZZ 0.00000 0.00001 -0.00003 -0.00001 -0.00001 143 4XY 0.00004 -0.00001 -0.00000 -0.00007 0.00002 144 4XZ 0.00001 0.00002 -0.00008 0.00003 -0.00002 145 4YZ -0.00001 -0.00000 -0.00002 0.00000 -0.00000 146 15 H 1S 0.00001 -0.00011 0.00024 -0.00037 0.00012 147 2S 0.00016 -0.00008 0.00048 -0.00056 0.00019 148 16 H 1S -0.00002 0.00000 -0.00028 -0.00017 -0.00008 149 2S 0.00003 0.00017 -0.00015 0.00008 -0.00015 150 17 H 1S -0.00025 -0.00003 0.00021 0.00015 -0.00001 151 2S -0.00017 0.00004 0.00027 0.00011 0.00001 152 18 H 1S -0.00007 0.00054 0.00001 -0.00005 -0.00026 153 2S 0.00014 0.00076 0.00011 0.00079 -0.00043 154 19 H 1S -0.00060 0.00143 0.00113 0.00364 -0.00040 155 2S -0.00001 0.00169 0.00168 0.00318 0.00005 156 20 H 1S 0.00184 -0.00013 -0.00395 -0.00044 -0.00046 157 2S 0.00269 0.00013 -0.00322 -0.00081 -0.00019 31 32 33 34 35 31 3 C 1S 1.02649 32 2S -0.03166 0.16424 33 2PX -0.00063 -0.00157 0.21012 34 2PY -0.00008 0.00245 -0.00077 0.20873 35 2PZ -0.00010 -0.00028 0.00723 0.00296 0.16875 36 3S -0.08771 0.13409 0.02584 0.00894 0.00814 37 3PX -0.00143 0.00496 0.06937 0.00446 -0.00648 38 3PY 0.00027 -0.01092 0.01328 0.06678 -0.00016 39 3PZ -0.00034 0.00013 -0.00650 -0.00275 0.11588 40 4XX -0.00841 -0.00175 -0.00507 0.00336 -0.00025 41 4YY -0.01010 0.00095 0.00670 -0.00740 0.00012 42 4ZZ -0.00572 -0.00778 -0.00036 0.00040 0.00014 43 4XY 0.00070 -0.00127 0.00484 0.00756 0.00087 44 4XZ -0.00050 0.00115 -0.00034 0.00127 -0.00097 45 4YZ -0.00027 0.00056 0.00083 0.00039 0.00379 46 4 C 1S 0.00848 -0.01727 0.03855 -0.00889 0.00585 47 2S -0.01721 0.03031 -0.07931 0.01677 -0.01206 48 2PX -0.03855 0.08014 -0.14527 0.03468 -0.04006 49 2PY 0.00791 -0.01905 0.03662 0.00119 -0.00160 50 2PZ -0.00592 0.01200 -0.04001 -0.00201 0.09934 51 3S 0.00310 0.01100 -0.06874 0.02729 -0.00997 52 3PX -0.00457 0.01854 -0.04176 0.00761 -0.01841 53 3PY 0.00332 -0.00261 0.01887 0.00929 -0.00203 54 3PZ -0.00045 0.00271 -0.01761 -0.00330 0.06545 55 4XX -0.00304 0.00540 -0.00187 0.00308 -0.00190 56 4YY 0.00133 -0.00336 0.00516 -0.00356 0.00083 57 4ZZ 0.00084 -0.00199 0.00273 -0.00087 0.00199 58 4XY 0.00124 -0.00224 0.00274 0.00546 0.00070 59 4XZ -0.00068 0.00129 -0.00180 0.00074 0.00570 60 4YZ 0.00024 -0.00048 0.00092 0.00083 -0.00152 61 5 C 1S -0.00158 0.00431 -0.00620 0.00417 -0.00074 62 2S 0.00432 -0.01015 0.01644 -0.01027 0.00201 63 2PX 0.00479 -0.01174 0.01482 -0.00594 0.00389 64 2PY -0.00551 0.01575 -0.01647 0.01257 -0.00102 65 2PZ 0.00041 -0.00079 0.00306 0.00066 -0.01010 66 3S -0.00373 -0.00275 0.01014 -0.02744 -0.00033 67 3PX -0.00366 0.00192 -0.00662 0.00047 0.00140 68 3PY -0.00247 0.00790 -0.01328 0.01773 -0.00027 69 3PZ -0.00082 0.00098 0.00046 0.00245 -0.01457 70 4XX -0.00065 0.00160 -0.00336 0.00101 -0.00056 71 4YY 0.00025 -0.00053 0.00031 0.00020 0.00079 72 4ZZ 0.00007 0.00002 0.00024 -0.00006 -0.00062 73 4XY 0.00087 -0.00178 0.00413 -0.00165 0.00150 74 4XZ -0.00008 0.00018 -0.00041 0.00009 0.00017 75 4YZ 0.00016 -0.00034 0.00167 0.00017 -0.00528 76 6 C 1S -0.00173 0.00294 -0.00168 0.00404 0.00003 77 2S 0.00292 -0.00604 0.00362 -0.00895 -0.00014 78 2PX 0.00088 -0.00231 -0.01489 -0.00959 0.00763 79 2PY -0.00405 0.00832 -0.00962 0.00991 0.00385 80 2PZ -0.00016 0.00040 0.00790 0.00402 -0.06362 81 3S 0.01397 -0.01947 0.00602 -0.02744 -0.00070 82 3PX 0.00211 -0.00270 -0.01411 -0.00792 0.00581 83 3PY -0.00637 0.00846 -0.00640 0.00336 0.00223 84 3PZ -0.00012 0.00030 0.00630 0.00299 -0.05254 85 4XX -0.00011 0.00032 -0.00073 -0.00004 -0.00019 86 4YY 0.00010 -0.00039 0.00064 0.00013 0.00017 87 4ZZ -0.00021 0.00025 -0.00005 0.00004 0.00002 88 4XY -0.00010 0.00033 0.00120 0.00046 0.00027 89 4XZ 0.00001 0.00004 -0.00010 0.00000 0.00029 90 4YZ 0.00001 0.00000 0.00033 0.00012 -0.00034 91 7 C 1S -0.00186 0.00484 0.00317 0.00694 0.00100 92 2S 0.00483 -0.01126 -0.00833 -0.01732 -0.00229 93 2PX 0.00010 -0.00055 0.00201 -0.00096 0.00147 94 2PY -0.00793 0.01995 0.01052 0.02313 0.00386 95 2PZ -0.00054 0.00142 0.00211 0.00196 -0.00535 96 3S -0.00085 -0.00839 0.00181 -0.03474 -0.00520 97 3PX 0.00588 -0.00800 -0.01297 -0.02164 -0.00252 98 3PY -0.00097 0.00701 -0.00408 0.01850 0.00342 99 3PZ 0.00090 -0.00073 -0.00077 -0.00161 -0.00933 100 4XX 0.00034 -0.00049 -0.00075 -0.00135 -0.00117 101 4YY -0.00078 0.00164 0.00253 0.00395 0.00130 102 4ZZ 0.00003 0.00009 0.00005 -0.00007 0.00034 103 4XY -0.00075 0.00161 0.00209 0.00287 0.00121 104 4XZ 0.00001 -0.00000 -0.00054 -0.00028 0.00297 105 4YZ -0.00019 0.00040 0.00134 0.00117 -0.00444 106 8 H 1S -0.00396 0.00888 0.01029 0.01352 0.00294 107 2S -0.00748 0.01514 0.02411 0.03038 0.00576 108 9 H 1S -0.00037 0.00059 -0.00091 0.00215 0.00005 109 2S 0.00082 -0.00139 -0.00135 0.00203 0.00026 110 10 H 1S -0.00413 0.00955 -0.01673 0.00460 -0.00252 111 2S -0.00687 0.01458 -0.03223 0.01157 -0.00461 112 11 H 1S 0.00642 -0.01372 0.02272 0.00506 0.00420 113 2S 0.00833 -0.01508 0.04424 0.01266 0.00815 114 12 H 1S -0.03003 0.05679 0.04116 -0.12711 -0.00249 115 2S -0.00675 0.01242 0.03845 -0.11533 -0.00190 116 13 C 1S 0.00075 -0.00173 -0.00149 -0.00072 -0.00512 117 2S -0.00171 0.00391 0.00359 0.00203 0.00961 118 2PX 0.00248 -0.00490 -0.00518 -0.00327 -0.01415 119 2PY 0.00074 -0.00150 -0.00150 -0.00243 -0.01003 120 2PZ -0.00217 0.00542 0.00606 0.00164 0.00662 121 3S -0.00293 0.00591 0.01021 0.00292 0.03498 122 3PX 0.00000 0.00001 0.00344 0.00288 -0.00466 123 3PY 0.00018 -0.00019 -0.00015 0.00053 -0.00726 124 3PZ -0.00207 0.00444 0.01207 0.00366 0.00747 125 4XX 0.00031 -0.00057 -0.00074 -0.00057 -0.00079 126 4YY 0.00009 -0.00022 -0.00019 0.00009 -0.00014 127 4ZZ -0.00023 0.00042 0.00096 0.00044 0.00005 128 4XY 0.00004 -0.00008 -0.00022 0.00003 0.00042 129 4XZ -0.00001 -0.00002 0.00006 0.00013 -0.00021 130 4YZ 0.00009 -0.00018 -0.00025 -0.00014 -0.00063 131 14 C 1S -0.00039 0.00071 0.00128 0.00081 0.00130 132 2S 0.00080 -0.00156 -0.00209 -0.00133 -0.00232 133 2PX -0.00168 0.00281 0.00436 0.00306 0.00733 134 2PY 0.00004 0.00014 -0.00028 0.00088 0.00178 135 2PZ 0.00031 -0.00076 -0.00118 -0.00035 0.00236 136 3S 0.00284 -0.00543 -0.01411 -0.00780 -0.01105 137 3PX -0.00156 0.00278 0.00637 0.00355 0.00897 138 3PY 0.00017 -0.00035 -0.00077 0.00020 0.00113 139 3PZ -0.00000 -0.00003 -0.00108 0.00009 0.00239 140 4XX -0.00005 0.00013 0.00004 0.00000 0.00004 141 4YY -0.00003 0.00004 0.00015 0.00010 0.00017 142 4ZZ 0.00003 -0.00010 -0.00006 0.00005 0.00002 143 4XY -0.00002 0.00006 0.00008 0.00014 0.00038 144 4XZ 0.00013 -0.00028 -0.00039 -0.00018 -0.00025 145 4YZ 0.00004 -0.00008 -0.00017 -0.00009 -0.00002 146 15 H 1S -0.00055 0.00116 0.00169 0.00136 0.00219 147 2S -0.00116 0.00243 0.00406 0.00241 0.00455 148 16 H 1S 0.00052 -0.00120 -0.00178 -0.00051 0.00063 149 2S 0.00018 -0.00058 0.00058 0.00061 -0.00076 150 17 H 1S -0.00031 0.00037 0.00082 -0.00016 -0.00042 151 2S -0.00040 0.00058 0.00122 0.00045 -0.00055 152 18 H 1S -0.00028 0.00008 0.00116 0.00127 0.00139 153 2S -0.00094 0.00129 0.00804 0.00359 -0.00561 154 19 H 1S -0.00202 0.00430 0.00891 0.00493 -0.01431 155 2S -0.00360 0.00738 0.02006 0.00844 -0.02202 156 20 H 1S 0.00384 -0.00892 -0.01232 -0.00288 -0.00133 157 2S 0.00268 -0.00668 -0.00990 -0.01340 -0.00202 36 37 38 39 40 36 3S 0.13374 37 3PX 0.01081 0.03029 38 3PY 0.00019 0.00509 0.02671 39 3PZ 0.00461 -0.00741 -0.00214 0.08134 40 4XX -0.00260 -0.00089 0.00050 0.00006 0.00056 41 4YY 0.00254 0.00122 -0.00140 -0.00019 -0.00040 42 4ZZ -0.00580 -0.00035 0.00054 0.00013 0.00013 43 4XY -0.00110 0.00122 0.00225 0.00003 0.00009 44 4XZ 0.00061 0.00015 0.00015 -0.00049 -0.00000 45 4YZ 0.00061 -0.00001 0.00004 0.00245 -0.00005 46 4 C 1S 0.00465 0.00555 0.00155 0.00110 -0.00307 47 2S 0.00809 -0.01718 0.00439 -0.00259 0.00533 48 2PX 0.05297 -0.04116 -0.00560 -0.01941 0.00131 49 2PY 0.01073 0.02201 0.01883 0.00016 -0.00226 50 2PZ 0.01101 -0.01748 -0.00332 0.06602 0.00177 51 3S -0.01209 -0.00962 0.00569 -0.00172 0.00568 52 3PX 0.00605 -0.00876 -0.00444 -0.00980 0.00056 53 3PY 0.00818 0.00794 0.00880 -0.00187 -0.00122 54 3PZ 0.00227 -0.00896 -0.00250 0.04334 0.00122 55 4XX 0.00432 -0.00075 0.00014 -0.00141 0.00003 56 4YY -0.00290 0.00178 -0.00048 0.00047 -0.00009 57 4ZZ -0.00087 0.00046 -0.00027 0.00115 -0.00020 58 4XY -0.00306 0.00091 0.00162 0.00022 0.00019 59 4XZ 0.00092 -0.00088 -0.00009 0.00410 0.00005 60 4YZ -0.00077 0.00046 0.00035 -0.00148 0.00009 61 5 C 1S -0.00360 -0.00254 -0.00403 -0.00073 0.00009 62 2S -0.00329 0.00833 0.00255 0.00160 -0.00015 63 2PX -0.03094 0.02019 0.00159 0.00648 0.00027 64 2PY -0.00594 -0.01218 -0.01304 -0.00192 -0.00068 65 2PZ -0.00723 0.00425 0.00058 -0.01660 0.00157 66 3S 0.00480 0.00733 -0.00463 0.00088 -0.00052 67 3PX -0.00484 0.00246 -0.00011 0.00325 0.00013 68 3PY 0.00164 -0.00531 0.00043 -0.00003 0.00022 69 3PZ -0.00181 0.00196 0.00125 -0.01640 0.00114 70 4XX 0.00126 -0.00173 -0.00058 -0.00030 -0.00001 71 4YY -0.00067 0.00046 0.00053 0.00063 0.00014 72 4ZZ -0.00009 0.00002 -0.00017 -0.00057 -0.00003 73 4XY -0.00253 0.00124 -0.00080 0.00083 -0.00008 74 4XZ 0.00004 -0.00021 -0.00014 -0.00017 0.00001 75 4YZ -0.00059 0.00093 0.00013 -0.00381 -0.00006 76 6 C 1S 0.01312 -0.00358 0.00691 -0.00012 -0.00010 77 2S -0.01965 0.00544 -0.01049 0.00014 0.00027 78 2PX -0.00188 -0.00454 -0.00781 0.00809 0.00077 79 2PY 0.03164 -0.00644 0.00878 0.00359 0.00016 80 2PZ -0.00048 0.00775 0.00200 -0.05379 0.00019 81 3S -0.03498 0.00599 -0.01606 0.00004 0.00071 82 3PX -0.00283 -0.00265 -0.00433 0.00646 0.00064 83 3PY 0.01349 -0.00221 0.00096 0.00226 0.00013 84 3PZ -0.00129 0.00650 0.00161 -0.04266 0.00013 85 4XX 0.00054 -0.00058 -0.00028 -0.00018 0.00001 86 4YY 0.00036 0.00030 0.00085 0.00011 -0.00004 87 4ZZ 0.00064 -0.00012 0.00016 0.00006 -0.00002 88 4XY 0.00014 0.00129 0.00004 0.00018 0.00008 89 4XZ 0.00001 0.00003 -0.00016 0.00027 -0.00008 90 4YZ 0.00004 0.00027 0.00007 0.00008 -0.00002 91 7 C 1S -0.00119 0.00593 -0.00196 0.00077 0.00063 92 2S -0.00773 -0.01037 -0.00228 -0.00161 -0.00116 93 2PX 0.01495 -0.00124 0.01144 0.00203 -0.00047 94 2PY 0.02982 0.03085 0.00202 0.00611 0.00289 95 2PZ 0.00378 0.00464 0.00113 -0.00806 -0.00116 96 3S -0.00278 -0.01088 -0.00600 -0.00450 -0.00237 97 3PX -0.00708 -0.00419 -0.00429 0.00013 0.00022 98 3PY 0.01040 0.00808 0.00301 0.00382 0.00161 99 3PZ -0.00088 0.00227 -0.00092 -0.00871 -0.00083 100 4XX -0.00150 0.00076 -0.00109 -0.00072 0.00015 101 4YY 0.00253 0.00029 0.00187 0.00061 -0.00009 102 4ZZ 0.00011 0.00030 -0.00013 0.00037 0.00004 103 4XY 0.00259 0.00158 0.00131 0.00081 -0.00005 104 4XZ -0.00004 -0.00020 -0.00025 0.00244 -0.00000 105 4YZ 0.00053 0.00076 0.00063 -0.00319 0.00002 106 8 H 1S 0.02153 0.01316 0.00841 0.00301 0.00037 107 2S 0.02654 0.01825 0.01355 0.00375 0.00019 108 9 H 1S 0.00957 -0.00158 0.00375 0.00004 -0.00018 109 2S 0.01115 -0.00351 0.00731 0.00019 -0.00054 110 10 H 1S 0.01915 -0.01446 -0.00227 -0.00266 -0.00027 111 2S 0.01852 -0.01880 -0.00265 -0.00341 0.00012 112 11 H 1S -0.02566 0.00481 -0.00023 0.00080 0.00241 113 2S -0.02181 0.01088 0.00258 0.00190 0.00088 114 12 H 1S 0.05107 0.01154 -0.03984 -0.00093 -0.00402 115 2S 0.01578 0.00773 -0.03036 -0.00077 -0.00385 116 13 C 1S -0.00294 0.00043 -0.00039 -0.00359 0.00033 117 2S 0.00561 -0.00219 0.00056 0.00640 -0.00068 118 2PX -0.02558 0.00247 -0.00805 -0.01205 0.00083 119 2PY -0.00727 0.00226 -0.00403 -0.00769 0.00062 120 2PZ 0.00586 -0.00371 0.00010 0.00406 -0.00054 121 3S 0.01171 -0.00004 0.00115 0.02455 -0.00112 122 3PX -0.00572 0.00334 -0.00093 -0.00425 0.00012 123 3PY -0.00216 0.00104 -0.00080 -0.00555 0.00031 124 3PZ 0.00693 0.00286 0.00133 0.00482 -0.00027 125 4XX -0.00171 0.00004 -0.00074 -0.00051 0.00015 126 4YY -0.00013 0.00013 0.00030 -0.00003 0.00000 127 4ZZ 0.00149 0.00015 0.00052 -0.00005 -0.00010 128 4XY -0.00012 -0.00007 0.00007 0.00039 0.00001 129 4XZ -0.00041 0.00013 -0.00002 -0.00019 -0.00001 130 4YZ -0.00074 0.00012 -0.00034 -0.00046 0.00006 131 14 C 1S 0.00397 -0.00015 0.00185 0.00109 -0.00020 132 2S -0.00726 0.00015 -0.00259 -0.00186 0.00038 133 2PX 0.02290 -0.00003 0.00835 0.00693 -0.00064 134 2PY -0.00213 0.00097 0.00060 0.00214 -0.00015 135 2PZ -0.00256 -0.00252 0.00073 0.00200 -0.00006 136 3S -0.01714 -0.00321 -0.00703 -0.00744 0.00114 137 3PX 0.01426 0.00102 0.00514 0.00700 -0.00059 138 3PY -0.00165 0.00030 0.00011 0.00133 -0.00006 139 3PZ -0.00096 -0.00151 0.00048 0.00189 -0.00012 140 4XX -0.00015 -0.00011 -0.00015 -0.00004 -0.00002 141 4YY 0.00073 0.00006 0.00025 0.00016 -0.00001 142 4ZZ -0.00001 -0.00001 0.00016 0.00007 -0.00000 143 4XY 0.00007 -0.00002 0.00014 0.00030 -0.00004 144 4XZ -0.00080 0.00003 -0.00021 -0.00018 0.00004 145 4YZ -0.00026 -0.00010 -0.00009 -0.00003 0.00002 146 15 H 1S 0.00529 0.00115 0.00197 0.00221 -0.00022 147 2S 0.00831 0.00097 0.00313 0.00367 -0.00050 148 16 H 1S -0.00282 -0.00127 0.00039 0.00090 0.00005 149 2S -0.00018 -0.00022 0.00148 -0.00029 -0.00006 150 17 H 1S 0.00560 -0.00016 0.00091 -0.00041 0.00007 151 2S 0.00624 -0.00011 0.00152 -0.00049 -0.00004 152 18 H 1S 0.00551 0.00133 0.00248 0.00121 -0.00029 153 2S 0.00793 0.00434 0.00418 -0.00417 -0.00030 154 19 H 1S 0.01427 -0.00013 0.00533 -0.01243 -0.00087 155 2S 0.01814 0.00463 0.00660 -0.01855 -0.00118 156 20 H 1S -0.01208 0.00129 0.00494 0.00106 0.00029 157 2S -0.00853 -0.00130 0.00142 0.00010 -0.00057 41 42 43 44 45 41 4YY 0.00085 42 4ZZ -0.00005 0.00047 43 4XY -0.00020 0.00007 0.00064 44 4XZ -0.00009 0.00005 0.00002 0.00032 45 4YZ 0.00002 0.00001 0.00006 0.00007 0.00015 46 4 C 1S 0.00138 0.00083 0.00111 -0.00069 0.00023 47 2S -0.00328 -0.00198 -0.00235 0.00128 -0.00050 48 2PX -0.00484 -0.00264 -0.00385 0.00155 -0.00100 49 2PY 0.00357 0.00013 -0.00538 -0.00042 -0.00069 50 2PZ -0.00069 -0.00207 -0.00081 -0.00563 0.00092 51 3S -0.00459 -0.00088 -0.00116 0.00126 -0.00049 52 3PX -0.00194 -0.00042 -0.00111 0.00086 -0.00039 53 3PY 0.00121 0.00001 -0.00105 0.00001 -0.00012 54 3PZ -0.00031 -0.00125 -0.00005 -0.00400 0.00045 55 4XX -0.00016 -0.00020 0.00017 0.00005 -0.00001 56 4YY 0.00028 0.00011 -0.00003 -0.00002 0.00001 57 4ZZ 0.00011 0.00013 0.00009 -0.00007 0.00005 58 4XY -0.00024 0.00012 0.00051 0.00008 0.00005 59 4XZ -0.00009 -0.00003 0.00003 0.00007 0.00014 60 4YZ -0.00002 -0.00004 0.00010 -0.00015 -0.00002 61 5 C 1S -0.00051 0.00010 0.00093 0.00007 0.00011 62 2S 0.00126 -0.00002 -0.00196 -0.00017 -0.00022 63 2PX 0.00100 0.00017 -0.00210 0.00088 -0.00017 64 2PY -0.00251 0.00044 0.00439 0.00055 0.00054 65 2PZ 0.00005 -0.00166 0.00044 -0.00532 -0.00046 66 3S 0.00128 -0.00014 -0.00264 -0.00031 -0.00035 67 3PX -0.00014 0.00002 -0.00080 0.00064 -0.00003 68 3PY -0.00163 0.00013 0.00151 0.00045 0.00016 69 3PZ -0.00006 -0.00124 0.00036 -0.00373 -0.00062 70 4XX -0.00017 -0.00003 0.00008 0.00003 -0.00001 71 4YY 0.00001 -0.00002 -0.00002 0.00000 0.00000 72 4ZZ -0.00002 0.00003 0.00009 0.00001 0.00002 73 4XY 0.00010 0.00008 0.00022 -0.00004 0.00004 74 4XZ -0.00003 -0.00002 0.00001 -0.00006 0.00004 75 4YZ 0.00002 0.00007 0.00002 0.00019 -0.00003 76 6 C 1S 0.00006 -0.00020 -0.00010 0.00001 0.00000 77 2S -0.00030 0.00025 0.00031 0.00002 0.00000 78 2PX -0.00071 -0.00006 -0.00103 0.00013 -0.00030 79 2PY -0.00012 -0.00013 -0.00042 0.00004 -0.00010 80 2PZ -0.00019 -0.00001 -0.00027 -0.00020 0.00041 81 3S -0.00003 0.00077 -0.00008 0.00009 -0.00003 82 3PX -0.00057 0.00007 -0.00121 0.00008 -0.00025 83 3PY -0.00036 -0.00022 -0.00010 0.00002 -0.00007 84 3PZ -0.00013 -0.00001 -0.00022 -0.00005 0.00001 85 4XX -0.00006 -0.00002 0.00008 -0.00008 -0.00003 86 4YY 0.00017 -0.00002 -0.00015 -0.00003 -0.00001 87 4ZZ -0.00002 0.00003 -0.00000 0.00010 0.00003 88 4XY -0.00015 -0.00000 0.00001 -0.00003 -0.00002 89 4XZ -0.00003 0.00010 -0.00003 0.00028 0.00011 90 4YZ -0.00001 0.00003 -0.00002 0.00011 -0.00003 91 7 C 1S -0.00109 0.00006 0.00004 0.00012 -0.00009 92 2S 0.00234 0.00003 -0.00019 -0.00024 0.00017 93 2PX 0.00125 -0.00023 -0.00005 -0.00092 -0.00042 94 2PY -0.00603 0.00000 -0.00019 0.00023 -0.00075 95 2PZ -0.00060 0.00174 -0.00084 0.00444 0.00277 96 3S 0.00355 -0.00006 -0.00009 -0.00069 0.00013 97 3PX 0.00056 0.00009 -0.00115 -0.00062 -0.00047 98 3PY -0.00279 -0.00003 0.00024 0.00018 -0.00025 99 3PZ -0.00035 0.00132 -0.00075 0.00337 0.00177 100 4XX -0.00020 0.00004 -0.00007 -0.00001 -0.00004 101 4YY 0.00010 -0.00008 0.00021 0.00003 0.00007 102 4ZZ -0.00010 0.00002 -0.00002 0.00001 -0.00002 103 4XY -0.00013 -0.00003 0.00006 0.00002 0.00003 104 4XZ -0.00003 0.00003 -0.00001 0.00007 0.00002 105 4YZ 0.00002 -0.00007 0.00007 -0.00013 -0.00015 106 8 H 1S -0.00146 -0.00008 0.00020 0.00010 -0.00008 107 2S -0.00167 -0.00028 0.00099 0.00015 0.00003 108 9 H 1S 0.00060 -0.00001 -0.00033 -0.00006 -0.00001 109 2S 0.00131 -0.00008 -0.00086 -0.00015 -0.00002 110 10 H 1S -0.00091 -0.00005 0.00079 0.00001 0.00006 111 2S -0.00165 -0.00020 0.00089 0.00011 0.00002 112 11 H 1S -0.00114 0.00051 0.00393 0.00069 0.00054 113 2S -0.00046 0.00072 0.00456 0.00039 0.00068 114 12 H 1S 0.00708 -0.00308 -0.00464 -0.00053 0.00007 115 2S 0.00700 -0.00124 -0.00432 -0.00090 -0.00007 116 13 C 1S -0.00012 -0.00004 0.00004 -0.00005 -0.00018 117 2S 0.00026 0.00006 -0.00007 0.00010 0.00033 118 2PX -0.00058 0.00002 0.00009 0.00002 -0.00043 119 2PY -0.00044 -0.00000 0.00009 -0.00007 -0.00033 120 2PZ 0.00035 -0.00016 0.00000 -0.00041 0.00000 121 3S 0.00032 0.00033 -0.00003 0.00096 0.00118 122 3PX -0.00022 0.00012 0.00015 0.00059 0.00012 123 3PY -0.00020 -0.00010 0.00011 -0.00030 -0.00029 124 3PZ 0.00016 -0.00017 0.00026 -0.00016 0.00007 125 4XX -0.00010 0.00001 0.00002 -0.00002 -0.00004 126 4YY 0.00002 -0.00001 -0.00000 -0.00000 -0.00000 127 4ZZ 0.00006 -0.00000 0.00000 0.00002 0.00002 128 4XY -0.00001 0.00001 -0.00000 0.00000 0.00001 129 4XZ 0.00001 -0.00000 0.00001 0.00001 0.00000 130 4YZ -0.00005 0.00000 0.00001 0.00000 -0.00002 131 14 C 1S 0.00016 -0.00001 -0.00000 0.00002 0.00007 132 2S -0.00029 0.00002 0.00005 0.00003 -0.00010 133 2PX 0.00059 -0.00006 -0.00004 0.00003 0.00029 134 2PY 0.00015 0.00003 -0.00004 -0.00003 0.00005 135 2PZ -0.00005 0.00005 -0.00006 0.00011 0.00011 136 3S -0.00068 -0.00006 -0.00017 -0.00060 -0.00061 137 3PX 0.00039 0.00005 0.00006 0.00035 0.00041 138 3PY 0.00003 0.00007 -0.00003 0.00008 0.00006 139 3PZ 0.00000 0.00007 -0.00007 0.00021 0.00016 140 4XX 0.00001 -0.00000 -0.00000 -0.00001 -0.00000 141 4YY 0.00002 -0.00000 0.00000 -0.00000 0.00001 142 4ZZ 0.00000 0.00001 -0.00000 0.00001 0.00001 143 4XY 0.00003 0.00000 -0.00000 0.00000 0.00001 144 4XZ -0.00003 0.00001 -0.00000 0.00001 -0.00000 145 4YZ -0.00002 0.00000 -0.00000 0.00001 0.00000 146 15 H 1S 0.00025 -0.00003 0.00001 -0.00006 0.00006 147 2S 0.00045 -0.00005 0.00001 -0.00003 0.00015 148 16 H 1S -0.00008 0.00005 -0.00004 0.00009 0.00005 149 2S 0.00003 0.00000 0.00001 0.00001 0.00000 150 17 H 1S -0.00003 -0.00005 0.00004 -0.00001 -0.00002 151 2S 0.00004 -0.00004 0.00003 -0.00001 -0.00000 152 18 H 1S 0.00015 0.00008 -0.00002 0.00026 0.00020 153 2S 0.00031 -0.00015 0.00018 -0.00010 -0.00012 154 19 H 1S 0.00057 -0.00011 -0.00000 -0.00021 -0.00033 155 2S 0.00088 -0.00035 0.00026 -0.00043 -0.00049 156 20 H 1S 0.00009 0.00004 -0.00043 -0.00003 -0.00007 157 2S 0.00112 -0.00004 -0.00087 -0.00011 -0.00001 46 47 48 49 50 46 4 C 1S 1.02636 47 2S -0.03170 0.16466 48 2PX 0.00005 0.00170 0.20944 49 2PY 0.00009 0.00257 -0.00041 0.21094 50 2PZ 0.00001 0.00047 0.00766 0.00337 0.16560 51 3S -0.08495 0.13052 0.00337 -0.00371 -0.00059 52 3PX 0.00077 -0.00801 0.06729 -0.00171 -0.00774 53 3PY 0.00093 -0.00896 0.00151 0.06054 -0.00389 54 3PZ 0.00016 -0.00195 -0.00725 -0.00413 0.10950 55 4XX -0.00905 -0.00073 0.00485 -0.00540 -0.00030 56 4YY -0.00935 -0.00017 -0.00722 0.00260 -0.00140 57 4ZZ -0.00576 -0.00774 -0.00005 -0.00010 0.00104 58 4XY -0.00117 0.00197 -0.00543 -0.00767 -0.00215 59 4XZ -0.00076 0.00159 0.00009 -0.00187 0.00221 60 4YZ -0.00052 0.00101 -0.00203 -0.00133 0.00231 61 5 C 1S 0.00853 -0.01721 0.01235 -0.03798 -0.00070 62 2S -0.01723 0.03008 -0.02732 0.07773 0.00101 63 2PX -0.01273 0.02415 -0.00567 0.04918 -0.01561 64 2PY 0.03787 -0.07910 0.05259 -0.14228 -0.00943 65 2PZ 0.00059 -0.00174 -0.01536 -0.01005 0.10403 66 3S 0.00252 0.01124 -0.00860 0.06793 0.00396 67 3PX 0.00012 0.00755 0.01214 0.00772 -0.00887 68 3PY 0.00532 -0.01678 0.02521 -0.04255 -0.00444 69 3PZ 0.00040 0.00000 -0.00813 -0.00702 0.06860 70 4XX 0.00112 -0.00274 0.00492 -0.00352 0.00005 71 4YY -0.00293 0.00502 -0.00354 0.00072 0.00022 72 4ZZ 0.00096 -0.00221 0.00069 -0.00317 -0.00037 73 4XY 0.00163 -0.00341 -0.00417 -0.00510 -0.00020 74 4XZ 0.00015 -0.00036 0.00023 -0.00059 0.00180 75 4YZ -0.00005 0.00003 -0.00005 -0.00010 -0.00599 76 6 C 1S -0.00167 0.00451 0.00073 0.00730 0.00065 77 2S 0.00451 -0.01066 -0.00099 -0.01950 -0.00153 78 2PX -0.00221 0.00676 0.00281 0.00964 0.00263 79 2PY -0.00701 0.01829 -0.00093 0.02382 0.00226 80 2PZ -0.00088 0.00241 0.00180 0.00394 -0.00767 81 3S -0.00353 -0.00287 -0.01874 -0.01783 -0.00579 82 3PX -0.00447 0.00834 0.00831 0.01952 0.00423 83 3PY 0.00168 0.00238 0.00817 0.00080 0.00264 84 3PZ -0.00063 0.00154 0.00415 0.00427 -0.01183 85 4XX 0.00067 -0.00131 0.00052 -0.00276 0.00126 86 4YY -0.00110 0.00248 -0.00122 0.00596 0.00060 87 4ZZ 0.00008 -0.00001 0.00032 -0.00014 -0.00173 88 4XY 0.00002 -0.00018 -0.00008 0.00038 0.00085 89 4XZ 0.00012 -0.00027 0.00091 -0.00010 -0.00449 90 4YZ -0.00009 0.00018 0.00038 0.00080 -0.00272 91 7 C 1S -0.00172 0.00289 0.00239 0.00335 0.00064 92 2S 0.00291 -0.00597 -0.00528 -0.00664 -0.00149 93 2PX -0.00309 0.00671 -0.00489 0.01360 0.01121 94 2PY -0.00294 0.00638 0.01360 -0.00079 0.00666 95 2PZ -0.00072 0.00163 0.01140 0.00718 -0.06345 96 3S 0.01314 -0.01952 -0.01484 -0.02828 -0.00298 97 3PX -0.00567 0.00840 0.00049 0.00771 0.00826 98 3PY -0.00496 0.00745 0.00985 0.00145 0.00509 99 3PZ -0.00128 0.00195 0.01006 0.00555 -0.05299 100 4XX -0.00002 -0.00001 0.00093 -0.00086 0.00023 101 4YY -0.00001 -0.00002 -0.00099 0.00083 -0.00008 102 4ZZ -0.00019 0.00022 0.00003 0.00014 -0.00015 103 4XY 0.00012 -0.00043 0.00001 -0.00019 0.00007 104 4XZ 0.00004 -0.00008 0.00025 -0.00018 -0.00031 105 4YZ 0.00003 -0.00009 -0.00001 0.00004 -0.00031 106 8 H 1S -0.00054 0.00120 0.00182 0.00136 0.00047 107 2S 0.00113 -0.00189 -0.00185 0.00089 -0.00009 108 9 H 1S -0.00416 0.00974 -0.00449 0.01697 0.00055 109 2S -0.00695 0.01493 -0.00638 0.03489 0.00151 110 10 H 1S 0.00639 -0.01359 0.01644 -0.01750 0.00153 111 2S 0.00826 -0.01484 0.03513 -0.03335 0.00375 112 11 H 1S -0.03019 0.05719 -0.08708 -0.09941 -0.02221 113 2S -0.00712 0.01345 -0.07791 -0.09075 -0.02003 114 12 H 1S 0.00640 -0.01367 -0.01902 0.01456 -0.00217 115 2S 0.00838 -0.01527 -0.03864 0.03241 -0.00339 116 13 C 1S -0.00033 0.00074 0.00113 -0.00015 0.00080 117 2S 0.00071 -0.00160 -0.00231 0.00038 -0.00197 118 2PX -0.00123 0.00228 0.00416 -0.00113 0.00125 119 2PY -0.00056 0.00130 0.00226 -0.00008 0.00275 120 2PZ 0.00078 -0.00199 -0.00384 0.00020 0.00208 121 3S 0.00184 -0.00390 -0.00871 0.00254 -0.00591 122 3PX -0.00006 0.00018 0.00073 0.00254 -0.00907 123 3PY -0.00024 0.00055 0.00085 -0.00064 0.00405 124 3PZ 0.00128 -0.00252 -0.00766 0.00315 0.00174 125 4XX -0.00015 0.00033 0.00050 -0.00006 0.00035 126 4YY -0.00002 0.00003 0.00004 -0.00004 -0.00008 127 4ZZ 0.00014 -0.00028 -0.00056 0.00017 -0.00038 128 4XY -0.00001 0.00002 0.00009 -0.00006 -0.00009 129 4XZ -0.00001 -0.00001 0.00000 -0.00006 -0.00013 130 4YZ -0.00007 0.00014 0.00028 -0.00003 0.00006 131 14 C 1S 0.00023 -0.00049 -0.00097 0.00016 -0.00050 132 2S -0.00044 0.00089 0.00165 -0.00021 0.00037 133 2PX 0.00100 -0.00175 -0.00354 0.00092 -0.00151 134 2PY 0.00010 -0.00033 -0.00030 0.00007 -0.00044 135 2PZ -0.00011 0.00018 0.00042 -0.00016 -0.00072 136 3S -0.00180 0.00376 0.00842 -0.00336 0.00938 137 3PX 0.00103 -0.00199 -0.00419 0.00157 -0.00488 138 3PY -0.00002 -0.00009 0.00035 -0.00011 -0.00165 139 3PZ -0.00012 0.00017 0.00096 0.00005 -0.00256 140 4XX 0.00001 -0.00004 -0.00002 -0.00008 0.00007 141 4YY 0.00003 -0.00005 -0.00014 0.00002 -0.00002 142 4ZZ -0.00000 0.00000 0.00002 0.00001 -0.00016 143 4XY 0.00003 -0.00007 -0.00013 0.00000 -0.00013 144 4XZ -0.00006 0.00013 0.00025 -0.00001 0.00000 145 4YZ -0.00003 0.00006 0.00013 -0.00001 -0.00001 146 15 H 1S 0.00036 -0.00073 -0.00142 0.00028 -0.00032 147 2S 0.00067 -0.00143 -0.00313 0.00059 -0.00092 148 16 H 1S -0.00020 0.00040 0.00091 -0.00012 -0.00063 149 2S 0.00006 -0.00009 -0.00062 0.00023 -0.00011 150 17 H 1S 0.00008 0.00001 -0.00023 0.00014 0.00048 151 2S 0.00013 -0.00017 -0.00053 0.00006 0.00002 152 18 H 1S 0.00033 -0.00049 -0.00089 0.00041 -0.00223 153 2S 0.00083 -0.00146 -0.00471 0.00205 -0.00019 154 19 H 1S 0.00109 -0.00224 -0.00406 0.00065 -0.00032 155 2S 0.00203 -0.00431 -0.00942 0.00224 -0.00318 156 20 H 1S -0.00122 0.00231 0.00437 -0.00069 0.00113 157 2S -0.00044 0.00078 0.00133 0.00127 -0.00093 51 52 53 54 55 51 3S 0.12062 52 3PX -0.00181 0.02639 53 3PY -0.00840 -0.00047 0.01979 54 3PZ -0.00149 -0.00852 -0.00455 0.07412 55 4XX -0.00044 0.00123 -0.00124 -0.00033 0.00052 56 4YY 0.00022 -0.00174 0.00057 -0.00049 -0.00025 57 4ZZ -0.00551 0.00029 0.00039 0.00074 0.00007 58 4XY 0.00276 -0.00145 -0.00198 -0.00082 0.00003 59 4XZ 0.00125 -0.00022 -0.00064 0.00137 0.00001 60 4YZ 0.00098 -0.00074 -0.00046 0.00164 0.00002 61 5 C 1S 0.00223 0.00324 -0.00452 0.00022 0.00102 62 2S 0.01252 -0.00348 0.01854 0.00071 -0.00278 63 2PX 0.03762 0.01027 0.01440 -0.00928 -0.00491 64 2PY -0.05755 0.02975 -0.03444 -0.00263 0.00409 65 2PZ 0.00189 -0.00807 -0.00499 0.06927 0.00015 66 3S -0.00315 0.00287 0.01487 0.00190 -0.00220 67 3PX 0.01123 0.00704 0.00230 -0.00630 -0.00102 68 3PY -0.00919 0.01155 -0.00944 -0.00247 0.00148 69 3PZ 0.00097 -0.00595 -0.00352 0.04594 0.00048 70 4XX -0.00358 0.00168 -0.00126 -0.00010 0.00032 71 4YY 0.00502 -0.00162 0.00020 0.00028 -0.00015 72 4ZZ -0.00120 0.00011 -0.00071 -0.00029 0.00010 73 4XY -0.00212 -0.00058 -0.00130 0.00045 -0.00008 74 4XZ -0.00062 0.00011 -0.00027 0.00103 0.00005 75 4YZ 0.00022 0.00049 0.00020 -0.00412 0.00002 76 6 C 1S -0.00367 -0.00484 0.00050 -0.00079 0.00037 77 2S -0.00254 0.00694 -0.00596 0.00079 -0.00060 78 2PX -0.00936 -0.00228 -0.00770 0.00109 0.00086 79 2PY 0.02442 -0.01819 0.01316 -0.00118 0.00121 80 2PZ 0.00102 0.00067 0.00123 -0.01219 0.00118 81 3S 0.00762 0.00169 -0.00659 -0.00119 -0.00150 82 3PX 0.00379 0.00224 0.00130 0.00205 -0.00033 83 3PY 0.00546 -0.00191 0.00224 0.00101 0.00068 84 3PZ 0.00160 0.00261 0.00180 -0.01234 0.00073 85 4XX -0.00212 0.00010 -0.00118 0.00095 0.00017 86 4YY 0.00273 -0.00098 0.00217 0.00023 -0.00021 87 4ZZ -0.00008 0.00006 0.00002 -0.00126 0.00004 88 4XY 0.00027 0.00083 -0.00006 0.00070 -0.00006 89 4XZ -0.00033 0.00073 0.00004 -0.00333 -0.00000 90 4YZ 0.00028 0.00038 0.00030 -0.00169 -0.00004 91 7 C 1S 0.01420 0.00458 0.00494 0.00114 -0.00002 92 2S -0.01989 -0.00602 -0.00661 -0.00160 0.00000 93 2PX 0.01490 -0.00765 0.00998 0.00865 -0.00102 94 2PY 0.02437 0.01193 -0.00459 0.00525 0.00087 95 2PZ 0.00562 0.00907 0.00566 -0.05258 -0.00024 96 3S -0.03482 -0.00875 -0.01107 -0.00093 0.00042 97 3PX 0.01056 -0.00079 0.00178 0.00617 -0.00103 98 3PY 0.01297 0.00439 -0.00195 0.00315 0.00067 99 3PZ 0.00363 0.00773 0.00360 -0.04230 -0.00019 100 4XX 0.00075 0.00113 -0.00064 0.00020 -0.00004 101 4YY -0.00001 -0.00100 0.00087 -0.00012 0.00006 102 4ZZ 0.00073 0.00018 0.00015 -0.00000 -0.00001 103 4XY -0.00025 0.00031 0.00004 0.00005 0.00003 104 4XZ -0.00003 0.00022 -0.00017 -0.00005 -0.00005 105 4YZ -0.00011 -0.00004 0.00008 0.00002 0.00007 106 8 H 1S 0.00772 0.00110 0.00022 0.00021 0.00008 107 2S 0.00691 0.00106 0.00271 0.00046 0.00022 108 9 H 1S 0.01767 -0.00972 0.01063 -0.00081 -0.00015 109 2S 0.01738 -0.01214 0.01516 -0.00093 -0.00055 110 10 H 1S -0.02724 0.00222 -0.00641 -0.00006 0.00279 111 2S -0.02482 0.00740 -0.01076 0.00066 0.00344 112 11 H 1S 0.05003 -0.02838 -0.03134 -0.00717 0.00045 113 2S 0.01449 -0.02261 -0.02552 -0.00581 0.00053 114 12 H 1S -0.02817 -0.00716 0.00183 -0.00112 -0.00059 115 2S -0.02762 -0.01368 0.00697 -0.00123 -0.00223 116 13 C 1S 0.00255 0.00087 -0.00031 0.00085 -0.00002 117 2S -0.00532 -0.00236 0.00157 -0.00202 0.00004 118 2PX 0.01410 0.00735 -0.00090 0.00252 0.00007 119 2PY 0.00517 0.00257 -0.00103 0.00242 0.00004 120 2PZ -0.00530 -0.00359 0.00298 0.00182 0.00002 121 3S -0.00751 -0.00423 0.00243 -0.00547 -0.00028 122 3PX 0.00413 0.00283 0.00088 -0.00626 0.00003 123 3PY 0.00179 0.00059 -0.00053 0.00319 0.00010 124 3PZ -0.00341 -0.00340 0.00206 0.00173 -0.00004 125 4XX 0.00106 0.00055 -0.00021 0.00035 -0.00002 126 4YY 0.00018 0.00009 -0.00008 -0.00003 -0.00000 127 4ZZ -0.00096 -0.00052 0.00014 -0.00034 0.00002 128 4XY 0.00002 0.00007 -0.00006 -0.00008 -0.00000 129 4XZ 0.00021 0.00013 -0.00003 -0.00008 0.00001 130 4YZ 0.00057 0.00029 -0.00007 0.00009 -0.00000 131 14 C 1S -0.00228 -0.00117 0.00013 -0.00055 0.00001 132 2S 0.00403 0.00226 -0.00044 0.00061 -0.00003 133 2PX -0.01127 -0.00606 0.00008 -0.00229 -0.00003 134 2PY 0.00092 0.00035 -0.00002 -0.00038 0.00005 135 2PZ -0.00031 0.00002 0.00005 -0.00089 -0.00004 136 3S 0.00928 0.00544 -0.00255 0.00743 -0.00003 137 3PX -0.00724 -0.00390 0.00083 -0.00428 -0.00004 138 3PY 0.00073 0.00055 -0.00007 -0.00125 0.00000 139 3PZ -0.00024 0.00036 0.00020 -0.00220 -0.00003 140 4XX -0.00002 -0.00001 0.00007 0.00007 0.00001 141 4YY -0.00031 -0.00019 -0.00001 -0.00004 -0.00000 142 4ZZ -0.00004 -0.00001 -0.00004 -0.00015 -0.00000 143 4XY -0.00011 -0.00007 0.00006 -0.00010 0.00000 144 4XZ 0.00045 0.00027 -0.00010 0.00001 -0.00000 145 4YZ 0.00012 0.00009 -0.00002 -0.00001 -0.00000 146 15 H 1S -0.00224 -0.00140 0.00013 -0.00036 0.00002 147 2S -0.00427 -0.00269 0.00075 -0.00089 0.00003 148 16 H 1S 0.00065 0.00056 -0.00033 -0.00071 -0.00003 149 2S -0.00063 -0.00047 -0.00015 -0.00025 0.00002 150 17 H 1S -0.00228 -0.00115 -0.00017 0.00021 -0.00003 151 2S -0.00276 -0.00145 -0.00002 -0.00015 -0.00001 152 18 H 1S -0.00308 -0.00120 -0.00066 -0.00231 0.00004 153 2S -0.00397 -0.00281 -0.00001 -0.00006 0.00015 154 19 H 1S -0.01056 -0.00596 0.00186 -0.00022 0.00042 155 2S -0.01206 -0.00755 0.00318 -0.00170 0.00059 156 20 H 1S 0.00685 0.00460 -0.00341 0.00101 -0.00014 157 2S 0.00245 0.00183 -0.00130 -0.00061 -0.00028 56 57 58 59 60 56 4YY 0.00056 57 4ZZ 0.00004 0.00045 58 4XY 0.00012 -0.00010 0.00083 59 4XZ -0.00003 -0.00002 0.00010 0.00027 60 4YZ 0.00003 -0.00006 0.00013 -0.00010 0.00026 61 5 C 1S -0.00285 0.00096 0.00175 0.00014 -0.00002 62 2S 0.00507 -0.00222 -0.00327 -0.00036 0.00005 63 2PX 0.00439 -0.00136 0.00423 -0.00000 0.00018 64 2PY -0.00092 0.00292 0.00416 0.00072 -0.00004 65 2PZ -0.00010 0.00006 0.00016 -0.00220 0.00602 66 3S 0.00374 -0.00121 -0.00419 -0.00053 -0.00030 67 3PX 0.00052 -0.00037 0.00130 0.00027 -0.00039 68 3PY -0.00056 0.00061 0.00150 0.00041 -0.00013 69 3PZ -0.00048 -0.00005 -0.00023 -0.00174 0.00403 70 4XX -0.00023 0.00010 -0.00024 0.00003 -0.00011 71 4YY 0.00011 -0.00019 0.00025 0.00005 0.00007 72 4ZZ -0.00019 0.00014 0.00013 -0.00003 0.00004 73 4XY 0.00024 0.00013 0.00042 0.00002 0.00007 74 4XZ -0.00001 0.00001 -0.00006 -0.00002 0.00012 75 4YZ 0.00006 -0.00005 0.00009 -0.00016 0.00005 76 6 C 1S -0.00078 0.00006 -0.00077 0.00001 -0.00020 77 2S 0.00171 0.00005 0.00172 -0.00000 0.00044 78 2PX -0.00252 0.00012 -0.00204 0.00052 -0.00135 79 2PY -0.00402 0.00019 -0.00268 0.00023 -0.00115 80 2PZ -0.00130 -0.00031 -0.00108 -0.00302 0.00436 81 3S 0.00210 -0.00003 0.00194 -0.00011 0.00048 82 3PX -0.00066 -0.00013 -0.00150 0.00026 -0.00084 83 3PY -0.00139 0.00014 -0.00081 0.00018 -0.00046 84 3PZ -0.00061 -0.00034 -0.00065 -0.00237 0.00297 85 4XX -0.00009 0.00005 -0.00008 -0.00000 0.00001 86 4YY 0.00009 -0.00009 -0.00010 -0.00003 0.00002 87 4ZZ -0.00007 0.00002 -0.00003 0.00003 -0.00007 88 4XY 0.00021 -0.00003 0.00004 -0.00002 0.00007 89 4XZ 0.00003 0.00001 0.00001 0.00008 -0.00013 90 4YZ 0.00007 -0.00003 0.00003 0.00003 -0.00015 91 7 C 1S -0.00000 -0.00020 0.00014 0.00005 0.00004 92 2S -0.00006 0.00023 -0.00049 -0.00006 -0.00013 93 2PX 0.00094 -0.00012 -0.00004 -0.00024 0.00003 94 2PY -0.00088 -0.00002 0.00028 0.00016 -0.00004 95 2PZ 0.00008 0.00016 -0.00005 0.00038 0.00024 96 3S 0.00050 0.00061 -0.00022 -0.00021 0.00009 97 3PX 0.00069 -0.00024 -0.00053 -0.00023 -0.00002 98 3PY -0.00107 -0.00010 -0.00020 0.00023 -0.00019 99 3PZ 0.00007 0.00002 -0.00009 0.00019 -0.00014 100 4XX 0.00007 -0.00001 0.00003 -0.00005 0.00007 101 4YY -0.00004 0.00001 0.00009 0.00005 -0.00000 102 4ZZ 0.00000 -0.00000 -0.00000 0.00002 -0.00004 103 4XY 0.00009 -0.00000 0.00017 0.00005 0.00003 104 4XZ 0.00005 0.00002 0.00004 0.00015 -0.00019 105 4YZ -0.00001 -0.00005 0.00003 -0.00019 0.00013 106 8 H 1S 0.00021 0.00004 0.00057 0.00006 0.00011 107 2S 0.00051 0.00002 0.00155 0.00013 0.00033 108 9 H 1S -0.00104 -0.00007 -0.00077 -0.00007 -0.00022 109 2S -0.00099 -0.00025 -0.00146 -0.00016 -0.00033 110 10 H 1S -0.00139 0.00037 -0.00372 0.00019 -0.00078 111 2S -0.00292 0.00063 -0.00285 0.00033 -0.00078 112 11 H 1S 0.00219 -0.00276 0.00766 0.00126 0.00176 113 2S 0.00212 -0.00090 0.00713 0.00085 0.00151 114 12 H 1S 0.00207 0.00026 -0.00418 -0.00050 -0.00056 115 2S 0.00289 0.00048 -0.00359 -0.00083 -0.00041 116 13 C 1S -0.00001 -0.00007 -0.00008 -0.00025 0.00013 117 2S 0.00003 0.00012 0.00017 0.00047 -0.00024 118 2PX -0.00006 -0.00024 -0.00032 -0.00066 0.00035 119 2PY -0.00003 -0.00010 -0.00020 -0.00054 0.00033 120 2PZ 0.00007 0.00004 0.00015 0.00032 -0.00014 121 3S 0.00030 0.00043 0.00041 0.00156 -0.00108 122 3PX 0.00001 -0.00006 0.00000 -0.00014 -0.00003 123 3PY -0.00006 -0.00008 -0.00005 -0.00040 0.00035 124 3PZ 0.00018 0.00010 0.00019 0.00023 -0.00013 125 4XX -0.00001 -0.00001 -0.00004 -0.00004 0.00001 126 4YY 0.00000 -0.00000 0.00001 -0.00000 0.00000 127 4ZZ 0.00001 0.00001 0.00003 -0.00001 0.00001 128 4XY -0.00001 0.00000 0.00000 0.00003 -0.00002 129 4XZ -0.00000 -0.00000 0.00001 -0.00001 0.00001 130 4YZ -0.00000 -0.00001 -0.00002 -0.00003 0.00002 131 14 C 1S 0.00001 0.00002 0.00007 0.00006 -0.00002 132 2S -0.00002 -0.00005 -0.00012 -0.00010 0.00002 133 2PX 0.00006 0.00016 0.00029 0.00032 -0.00017 134 2PY -0.00002 0.00000 0.00005 0.00012 -0.00006 135 2PZ 0.00000 0.00001 -0.00001 0.00012 -0.00008 136 3S -0.00020 -0.00018 -0.00051 -0.00050 0.00034 137 3PX 0.00010 0.00016 0.00028 0.00042 -0.00029 138 3PY -0.00001 0.00001 0.00002 0.00009 -0.00009 139 3PZ 0.00000 0.00001 0.00001 0.00015 -0.00012 140 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 141 4YY 0.00000 0.00001 0.00001 0.00001 -0.00000 142 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 143 4XY 0.00000 0.00000 0.00001 0.00002 -0.00001 144 4XZ -0.00000 -0.00000 -0.00002 -0.00001 0.00000 145 4YZ -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 146 15 H 1S 0.00001 0.00004 0.00011 0.00011 -0.00006 147 2S 0.00006 0.00006 0.00021 0.00021 -0.00010 148 16 H 1S -0.00002 -0.00001 -0.00004 0.00004 -0.00004 149 2S 0.00000 -0.00001 0.00002 -0.00005 0.00005 150 17 H 1S 0.00001 0.00002 0.00000 -0.00005 0.00003 151 2S 0.00002 0.00002 0.00005 -0.00005 0.00004 152 18 H 1S 0.00000 0.00006 0.00010 0.00004 -0.00000 153 2S 0.00006 -0.00000 0.00017 -0.00036 0.00027 154 19 H 1S -0.00006 -0.00012 0.00024 -0.00077 0.00054 155 2S 0.00006 -0.00015 0.00042 -0.00115 0.00091 156 20 H 1S -0.00009 -0.00012 -0.00015 0.00004 -0.00005 157 2S 0.00018 -0.00008 -0.00042 -0.00001 -0.00009 61 62 63 64 65 61 5 C 1S 1.02630 62 2S -0.03159 0.16447 63 2PX 0.00022 0.00293 0.20943 64 2PY -0.00003 -0.00068 -0.00071 0.21005 65 2PZ 0.00005 0.00036 0.00714 0.00306 0.16789 66 3S -0.08397 0.12842 -0.00506 0.00130 -0.00053 67 3PX 0.00179 -0.01300 0.06151 0.00214 -0.00827 68 3PY -0.00047 0.00304 0.00201 0.06676 -0.00304 69 3PZ 0.00027 -0.00202 -0.00863 -0.00304 0.11150 70 4XX -0.01015 0.00113 -0.00848 0.00491 -0.00214 71 4YY -0.00826 -0.00205 0.00474 -0.00419 0.00061 72 4ZZ -0.00578 -0.00771 0.00005 0.00012 0.00097 73 4XY 0.00056 -0.00098 0.00537 0.00664 0.00129 74 4XZ -0.00084 0.00171 -0.00196 0.00119 0.00333 75 4YZ -0.00013 0.00034 0.00143 0.00083 -0.00060 76 6 C 1S 0.00848 -0.01714 -0.02641 -0.02908 -0.00660 77 2S -0.01712 0.02994 0.05293 0.06182 0.01356 78 2PX 0.02609 -0.05525 -0.06182 -0.08134 -0.03412 79 2PY 0.02940 -0.05929 -0.07787 -0.08187 -0.02683 80 2PZ 0.00652 -0.01356 -0.03391 -0.02730 0.09812 81 3S 0.00230 0.01239 0.05706 0.03617 0.01115 82 3PX 0.00466 -0.01031 -0.01179 -0.03693 -0.01680 83 3PY 0.00274 -0.01543 -0.02173 -0.01096 -0.00872 84 3PZ 0.00098 -0.00282 -0.01525 -0.01203 0.06593 85 4XX -0.00067 0.00048 -0.00587 0.00169 0.00038 86 4YY -0.00104 0.00158 0.00385 -0.00474 0.00086 87 4ZZ 0.00082 -0.00195 -0.00204 -0.00168 -0.00231 88 4XY -0.00278 0.00547 0.00279 0.00393 0.00185 89 4XZ -0.00051 0.00092 0.00026 0.00132 -0.00410 90 4YZ -0.00063 0.00123 0.00175 0.00075 -0.00408 91 7 C 1S -0.00159 0.00437 0.00657 0.00296 0.00138 92 2S 0.00434 -0.01025 -0.01688 -0.00933 -0.00398 93 2PX -0.00728 0.01890 0.02212 0.01142 0.00616 94 2PY -0.00126 0.00263 0.00097 0.00465 0.00117 95 2PZ -0.00132 0.00350 0.00568 0.00302 -0.00949 96 3S -0.00372 -0.00313 -0.02686 0.01896 0.00033 97 3PX -0.00075 0.00658 0.01819 -0.00260 0.00470 98 3PY 0.00474 -0.00577 -0.01524 -0.01057 -0.00417 99 3PZ 0.00018 0.00082 0.00483 -0.00001 -0.01597 100 4XX -0.00059 0.00129 0.00286 0.00240 0.00213 101 4YY 0.00021 -0.00028 -0.00063 -0.00052 -0.00051 102 4ZZ 0.00004 0.00009 0.00014 0.00000 -0.00106 103 4XY -0.00087 0.00189 0.00290 0.00280 0.00052 104 4XZ -0.00019 0.00038 0.00162 0.00106 -0.00440 105 4YZ -0.00013 0.00029 -0.00003 0.00024 0.00290 106 8 H 1S -0.00412 0.00940 0.01212 0.01238 0.00285 107 2S -0.00677 0.01412 0.02516 0.02296 0.00656 108 9 H 1S 0.00634 -0.01354 -0.00671 -0.02314 -0.00284 109 2S 0.00813 -0.01461 -0.01066 -0.04828 -0.00561 110 10 H 1S -0.03028 0.05725 -0.12915 0.02867 -0.01974 111 2S -0.00711 0.01331 -0.11719 0.02602 -0.01776 112 11 H 1S 0.00633 -0.01352 0.00297 0.02392 0.00225 113 2S 0.00812 -0.01457 0.00923 0.04870 0.00532 114 12 H 1S -0.00411 0.00941 0.00621 -0.01633 -0.00015 115 2S -0.00679 0.01419 0.01410 -0.03218 0.00048 116 13 C 1S -0.00004 0.00014 -0.00041 -0.00026 0.00341 117 2S 0.00014 -0.00036 0.00059 0.00035 -0.00643 118 2PX -0.00015 0.00043 -0.00101 -0.00034 0.00894 119 2PY -0.00030 0.00074 -0.00014 -0.00062 0.00872 120 2PZ -0.00016 0.00025 0.00098 0.00055 -0.00292 121 3S -0.00010 -0.00001 0.00336 -0.00050 -0.02736 122 3PX -0.00005 0.00018 0.00074 -0.00191 -0.00331 123 3PY -0.00015 0.00038 -0.00059 0.00022 0.00909 124 3PZ -0.00036 0.00070 0.00078 -0.00298 -0.00325 125 4XX -0.00001 0.00005 -0.00006 -0.00018 0.00047 126 4YY 0.00000 0.00000 0.00003 0.00010 -0.00003 127 4ZZ 0.00003 -0.00006 -0.00011 -0.00015 -0.00002 128 4XY 0.00002 -0.00006 -0.00006 0.00001 -0.00042 129 4XZ 0.00002 -0.00002 -0.00002 0.00006 0.00013 130 4YZ -0.00002 0.00004 0.00000 -0.00002 0.00042 131 14 C 1S 0.00003 -0.00010 0.00005 0.00009 -0.00087 132 2S -0.00008 0.00015 -0.00012 -0.00027 0.00103 133 2PX 0.00015 -0.00034 0.00049 0.00031 -0.00491 134 2PY 0.00018 -0.00037 -0.00020 0.00000 -0.00169 135 2PZ 0.00004 -0.00017 0.00015 0.00012 -0.00199 136 3S -0.00004 0.00015 -0.00154 0.00132 0.01189 137 3PX 0.00007 -0.00023 0.00068 -0.00045 -0.00877 138 3PY 0.00007 -0.00022 0.00002 0.00029 -0.00243 139 3PZ 0.00009 -0.00017 0.00075 0.00041 -0.00339 140 4XX -0.00000 0.00000 0.00001 0.00010 0.00007 141 4YY -0.00000 -0.00000 -0.00001 0.00001 -0.00012 142 4ZZ 0.00001 -0.00003 -0.00004 -0.00002 -0.00013 143 4XY 0.00002 -0.00004 0.00000 0.00003 -0.00035 144 4XZ -0.00000 0.00000 -0.00004 -0.00005 0.00012 145 4YZ -0.00000 0.00001 0.00002 0.00000 -0.00001 146 15 H 1S 0.00010 -0.00019 0.00004 0.00008 -0.00162 147 2S 0.00012 -0.00019 0.00058 0.00017 -0.00304 148 16 H 1S 0.00005 -0.00018 -0.00010 -0.00004 -0.00105 149 2S 0.00004 -0.00013 -0.00038 -0.00044 0.00087 150 17 H 1S -0.00012 0.00023 0.00018 -0.00003 0.00083 151 2S -0.00010 0.00022 0.00044 0.00033 0.00082 152 18 H 1S 0.00019 -0.00039 -0.00036 -0.00029 -0.00112 153 2S 0.00001 0.00001 -0.00101 -0.00240 0.00527 154 19 H 1S 0.00022 -0.00061 -0.00290 -0.00122 0.01104 155 2S 0.00003 -0.00007 -0.00318 -0.00261 0.01790 156 20 H 1S 0.00012 -0.00039 -0.00008 0.00079 -0.00033 157 2S -0.00045 0.00096 0.00156 0.00005 -0.00103 66 67 68 69 70 66 3S 0.11278 67 3PX -0.01091 0.02091 68 3PY 0.00258 0.00175 0.02447 69 3PZ -0.00144 -0.00922 -0.00358 0.07584 70 4XX 0.00227 -0.00210 0.00122 -0.00094 0.00085 71 4YY -0.00238 0.00129 -0.00105 0.00022 -0.00044 72 4ZZ -0.00544 0.00056 -0.00013 0.00069 -0.00003 73 4XY -0.00130 0.00139 0.00158 0.00029 -0.00014 74 4XZ 0.00145 -0.00085 0.00022 0.00216 0.00013 75 4YZ 0.00003 0.00036 0.00026 -0.00051 -0.00007 76 6 C 1S 0.00261 -0.00191 -0.00476 -0.00069 -0.00053 77 2S 0.01110 0.01331 0.01179 0.00321 0.00059 78 2PX -0.03430 -0.00776 -0.03833 -0.01565 0.00557 79 2PY -0.05880 -0.02037 -0.02150 -0.01006 -0.00268 80 2PZ -0.01038 -0.01476 -0.01261 0.06572 -0.00041 81 3S -0.00355 0.01396 0.00300 0.00171 -0.00092 82 3PX -0.00320 -0.00005 -0.01445 -0.00909 0.00149 83 3PY -0.01483 -0.00511 -0.00201 -0.00372 -0.00033 84 3PZ -0.00185 -0.00831 -0.00561 0.04400 -0.00052 85 4XX 0.00135 -0.00158 0.00030 0.00069 0.00046 86 4YY -0.00008 0.00057 -0.00109 0.00038 -0.00051 87 4ZZ -0.00092 -0.00036 -0.00018 -0.00140 0.00000 88 4XY 0.00533 0.00042 0.00177 0.00095 0.00001 89 4XZ 0.00083 0.00035 0.00050 -0.00307 0.00009 90 4YZ 0.00098 0.00067 0.00045 -0.00276 -0.00000 91 7 C 1S -0.00386 -0.00253 0.00375 -0.00011 -0.00104 92 2S -0.00253 -0.00099 -0.00791 -0.00111 0.00236 93 2PX 0.02030 0.00236 0.02041 0.00419 -0.00552 94 2PY 0.02094 0.00536 0.00873 0.00260 0.00061 95 2PZ 0.00417 0.00254 0.00557 -0.01412 -0.00158 96 3S 0.00587 -0.00544 0.00133 0.00181 0.00244 97 3PX 0.00855 0.00420 0.00317 0.00291 -0.00199 98 3PY 0.00114 -0.00177 -0.00097 -0.00074 0.00093 99 3PZ 0.00107 0.00280 0.00197 -0.01584 -0.00069 100 4XX 0.00142 0.00083 0.00047 0.00118 0.00006 101 4YY -0.00081 -0.00035 0.00052 -0.00031 -0.00021 102 4ZZ 0.00001 -0.00001 0.00015 -0.00069 -0.00007 103 4XY 0.00254 0.00102 0.00163 0.00011 -0.00007 104 4XZ 0.00048 0.00083 0.00042 -0.00305 0.00006 105 4YZ 0.00038 -0.00021 0.00016 0.00227 -0.00002 106 8 H 1S 0.02025 0.00562 0.01331 0.00186 -0.00133 107 2S 0.01950 0.00786 0.01725 0.00311 -0.00194 108 9 H 1S -0.02624 -0.00392 -0.00571 -0.00111 -0.00311 109 2S -0.02377 -0.00491 -0.01247 -0.00199 -0.00342 110 10 H 1S 0.05217 -0.04052 0.00899 -0.00618 0.00742 111 2S 0.01670 -0.03243 0.00710 -0.00484 0.00702 112 11 H 1S -0.02592 -0.00126 0.00695 0.00031 -0.00178 113 2S -0.02341 0.00044 0.01372 0.00125 -0.00117 114 12 H 1S 0.02004 0.00001 -0.01414 -0.00101 -0.00103 115 2S 0.01951 0.00062 -0.01904 -0.00095 -0.00191 116 13 C 1S 0.00008 -0.00094 0.00039 0.00280 -0.00000 117 2S -0.00048 0.00160 0.00022 -0.00536 0.00002 118 2PX 0.00085 -0.00253 0.00006 0.00766 0.00001 119 2PY 0.00158 -0.00129 -0.00044 0.00725 0.00008 120 2PZ 0.00068 0.00121 0.00220 -0.00260 -0.00009 121 3S -0.00047 0.00356 0.00035 -0.02123 -0.00004 122 3PX 0.00004 -0.00016 -0.00044 -0.00225 -0.00003 123 3PY 0.00086 -0.00091 0.00006 0.00704 0.00001 124 3PZ 0.00087 0.00042 -0.00030 -0.00237 -0.00010 125 4XX 0.00021 -0.00013 -0.00007 0.00038 0.00002 126 4YY -0.00006 -0.00003 0.00003 -0.00003 -0.00002 127 4ZZ -0.00016 0.00003 -0.00014 0.00004 -0.00000 128 4XY -0.00003 0.00004 -0.00002 -0.00036 0.00001 129 4XZ -0.00006 -0.00004 -0.00002 0.00011 -0.00000 130 4YZ 0.00009 -0.00010 0.00002 0.00033 0.00000 131 14 C 1S -0.00017 0.00031 -0.00009 -0.00067 -0.00003 132 2S 0.00078 -0.00030 -0.00003 0.00090 0.00005 133 2PX -0.00141 0.00128 -0.00050 -0.00415 -0.00008 134 2PY 0.00002 -0.00007 0.00039 -0.00151 0.00003 135 2PZ 0.00110 0.00099 0.00043 -0.00147 0.00002 136 3S 0.00167 -0.00151 0.00024 0.00906 0.00023 137 3PX -0.00104 0.00120 -0.00030 -0.00685 -0.00007 138 3PY 0.00000 0.00011 0.00033 -0.00196 0.00003 139 3PZ 0.00029 0.00090 0.00039 -0.00268 0.00000 140 4XX -0.00002 0.00001 0.00007 0.00004 -0.00000 141 4YY -0.00008 0.00000 -0.00003 -0.00010 -0.00001 142 4ZZ 0.00002 0.00002 -0.00002 -0.00009 0.00000 143 4XY -0.00007 0.00003 0.00004 -0.00029 -0.00001 144 4XZ 0.00006 -0.00004 -0.00006 0.00011 0.00001 145 4YZ 0.00005 0.00002 0.00000 0.00000 0.00000 146 15 H 1S -0.00070 -0.00000 0.00002 -0.00149 -0.00003 147 2S -0.00103 0.00038 0.00018 -0.00262 -0.00011 148 16 H 1S 0.00078 0.00050 0.00011 -0.00077 0.00003 149 2S 0.00048 0.00021 -0.00021 0.00081 -0.00001 150 17 H 1S -0.00015 0.00014 -0.00043 0.00068 -0.00001 151 2S -0.00027 0.00024 -0.00020 0.00065 -0.00005 152 18 H 1S -0.00091 0.00027 -0.00136 -0.00076 0.00003 153 2S -0.00055 -0.00066 -0.00211 0.00461 -0.00007 154 19 H 1S -0.00075 -0.00070 -0.00071 0.01021 0.00006 155 2S -0.00088 -0.00173 -0.00122 0.01499 -0.00018 156 20 H 1S 0.00002 0.00003 -0.00131 -0.00056 -0.00012 157 2S 0.00068 0.00004 -0.00117 -0.00126 -0.00054 71 72 73 74 75 71 4YY 0.00060 72 4ZZ 0.00014 0.00045 73 4XY 0.00007 0.00005 0.00058 74 4XZ -0.00012 -0.00005 -0.00001 0.00016 75 4YZ 0.00001 0.00004 0.00004 0.00003 0.00034 76 6 C 1S -0.00118 0.00082 -0.00277 -0.00049 -0.00064 77 2S 0.00147 -0.00193 0.00551 0.00093 0.00123 78 2PX -0.00288 0.00153 -0.00265 -0.00013 -0.00164 79 2PY 0.00504 0.00219 -0.00429 -0.00162 -0.00086 80 2PZ -0.00072 0.00217 -0.00183 0.00366 0.00428 81 3S 0.00217 -0.00098 0.00505 0.00041 0.00119 82 3PX -0.00078 0.00011 -0.00142 -0.00030 -0.00087 83 3PY 0.00136 0.00050 -0.00086 -0.00043 -0.00034 84 3PZ -0.00047 0.00124 -0.00106 0.00237 0.00322 85 4XX -0.00034 -0.00004 -0.00008 0.00009 -0.00010 86 4YY 0.00045 -0.00006 -0.00008 -0.00008 0.00003 87 4ZZ -0.00009 0.00013 -0.00021 -0.00006 0.00000 88 4XY -0.00016 -0.00020 0.00010 0.00007 0.00001 89 4XZ -0.00009 -0.00002 -0.00000 0.00003 0.00019 90 4YZ 0.00002 -0.00008 0.00003 -0.00011 0.00002 91 7 C 1S 0.00067 0.00005 -0.00019 -0.00023 0.00002 92 2S -0.00134 0.00007 0.00026 0.00048 -0.00007 93 2PX 0.00272 -0.00025 -0.00116 -0.00159 -0.00083 94 2PY -0.00045 -0.00004 -0.00006 -0.00006 -0.00040 95 2PZ -0.00022 0.00131 -0.00125 0.00197 0.00487 96 3S -0.00200 0.00004 0.00086 0.00056 -0.00005 97 3PX 0.00109 -0.00018 -0.00016 -0.00062 -0.00048 98 3PY -0.00030 0.00011 -0.00088 -0.00003 -0.00045 99 3PZ -0.00031 0.00087 -0.00083 0.00121 0.00358 100 4XX -0.00004 -0.00005 0.00020 0.00008 0.00008 101 4YY 0.00014 0.00002 -0.00009 -0.00006 -0.00001 102 4ZZ 0.00004 -0.00000 -0.00003 -0.00006 -0.00004 103 4XY -0.00010 -0.00005 0.00008 0.00001 0.00001 104 4XZ -0.00000 -0.00008 0.00009 -0.00012 -0.00013 105 4YZ -0.00002 0.00000 -0.00000 0.00001 0.00006 106 8 H 1S 0.00021 -0.00011 -0.00007 -0.00025 0.00001 107 2S 0.00047 -0.00025 0.00057 -0.00029 0.00016 108 9 H 1S 0.00457 0.00029 -0.00019 -0.00069 0.00032 109 2S 0.00405 0.00048 -0.00171 -0.00091 -0.00001 110 10 H 1S -0.00471 -0.00283 -0.00323 0.00182 -0.00069 111 2S -0.00428 -0.00097 -0.00297 0.00138 -0.00078 112 11 H 1S 0.00313 0.00040 0.00343 -0.00017 0.00082 113 2S 0.00162 0.00067 0.00438 -0.00002 0.00084 114 12 H 1S -0.00011 -0.00008 0.00074 -0.00013 0.00012 115 2S 0.00043 -0.00026 0.00069 -0.00028 0.00013 116 13 C 1S 0.00001 -0.00000 -0.00004 -0.00003 -0.00002 117 2S -0.00004 0.00002 0.00009 0.00008 0.00006 118 2PX 0.00001 -0.00001 -0.00010 -0.00011 -0.00002 119 2PY -0.00004 -0.00001 -0.00001 -0.00005 -0.00008 120 2PZ 0.00001 -0.00005 0.00021 0.00001 -0.00013 121 3S 0.00002 -0.00005 0.00024 -0.00011 -0.00015 122 3PX -0.00005 0.00007 -0.00012 0.00002 0.00046 123 3PY -0.00001 -0.00000 0.00001 0.00003 -0.00008 124 3PZ 0.00005 -0.00007 0.00019 -0.00009 -0.00021 125 4XX -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 126 4YY 0.00001 -0.00000 -0.00001 -0.00000 0.00000 127 4ZZ 0.00000 0.00000 0.00001 0.00000 0.00002 128 4XY -0.00001 0.00000 -0.00000 0.00001 0.00000 129 4XZ 0.00000 0.00000 -0.00000 -0.00000 0.00001 130 4YZ -0.00000 0.00000 -0.00001 0.00000 0.00000 131 14 C 1S 0.00001 -0.00001 0.00002 0.00001 0.00002 132 2S -0.00002 -0.00000 -0.00003 -0.00001 -0.00001 133 2PX 0.00004 0.00001 0.00003 0.00004 0.00004 134 2PY 0.00000 0.00002 -0.00000 0.00003 0.00002 135 2PZ -0.00000 0.00000 -0.00000 0.00002 0.00003 136 3S -0.00008 -0.00004 -0.00011 0.00002 -0.00032 137 3PX 0.00002 0.00002 0.00004 0.00001 0.00014 138 3PY -0.00001 0.00002 -0.00002 0.00001 0.00006 139 3PZ -0.00001 0.00002 -0.00002 0.00003 0.00012 140 4XX -0.00000 -0.00000 0.00001 0.00000 -0.00000 141 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 142 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00001 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ -0.00000 0.00000 -0.00001 -0.00000 0.00000 145 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 146 15 H 1S 0.00002 0.00001 0.00002 0.00001 0.00001 147 2S 0.00006 0.00000 0.00007 0.00000 0.00002 148 16 H 1S -0.00001 0.00001 -0.00003 0.00002 0.00003 149 2S 0.00002 0.00000 -0.00001 0.00000 0.00002 150 17 H 1S -0.00000 -0.00001 0.00001 -0.00001 -0.00002 151 2S 0.00001 -0.00001 0.00002 -0.00001 0.00001 152 18 H 1S -0.00000 0.00003 -0.00003 0.00002 0.00010 153 2S 0.00006 -0.00000 0.00003 -0.00005 0.00002 154 19 H 1S -0.00002 -0.00003 0.00011 -0.00007 0.00006 155 2S 0.00001 0.00005 0.00018 0.00005 0.00039 156 20 H 1S 0.00012 -0.00003 -0.00024 -0.00003 -0.00005 157 2S 0.00030 -0.00003 -0.00021 -0.00009 0.00006 76 77 78 79 80 76 6 C 1S 1.02636 77 2S -0.03170 0.16467 78 2PX -0.00008 0.00067 0.20963 79 2PY -0.00014 -0.00301 -0.00071 0.21091 80 2PZ -0.00002 -0.00014 0.00761 0.00324 0.16536 81 3S -0.08513 0.13085 0.00485 0.00214 0.00163 82 3PX 0.00049 -0.00416 0.06658 0.00056 -0.00701 83 3PY -0.00100 0.01125 -0.00301 0.06121 -0.00398 84 3PZ 0.00001 0.00011 -0.00776 -0.00359 0.10960 85 4XX -0.00834 -0.00193 0.00551 -0.00321 0.00033 86 4YY -0.01012 0.00114 -0.00670 0.00740 -0.00015 87 4ZZ -0.00570 -0.00785 0.00005 -0.00053 -0.00010 88 4XY 0.00077 -0.00133 -0.00475 -0.00739 -0.00081 89 4XZ -0.00047 0.00108 0.00051 -0.00118 0.00126 90 4YZ -0.00025 0.00054 -0.00076 -0.00033 -0.00372 91 7 C 1S 0.00855 -0.01735 -0.03846 0.00911 -0.00582 92 2S -0.01744 0.03060 0.08102 -0.01658 0.01236 93 2PX 0.03879 -0.07906 -0.14506 0.03482 -0.04011 94 2PY -0.00819 0.01826 0.03663 0.00117 -0.00125 95 2PZ 0.00599 -0.01223 -0.04015 -0.00186 0.10114 96 3S 0.00501 0.00745 0.04246 -0.03153 0.00569 97 3PX 0.00444 -0.01739 -0.03650 0.00563 -0.01641 98 3PY -0.00406 0.00385 0.03356 0.01291 0.00094 99 3PZ 0.00049 -0.00282 -0.01561 -0.00319 0.06723 100 4XX -0.00300 0.00535 0.00152 -0.00324 0.00174 101 4YY 0.00134 -0.00336 -0.00534 0.00362 -0.00082 102 4ZZ 0.00083 -0.00196 -0.00242 0.00096 -0.00187 103 4XY 0.00122 -0.00222 -0.00259 -0.00543 -0.00069 104 4XZ -0.00068 0.00130 0.00165 -0.00080 -0.00555 105 4YZ 0.00024 -0.00047 -0.00091 -0.00081 0.00136 106 8 H 1S 0.00638 -0.01362 -0.02293 -0.00522 -0.00436 107 2S 0.00840 -0.01531 -0.04758 -0.01301 -0.00875 108 9 H 1S -0.03018 0.05717 -0.04075 0.12766 0.00234 109 2S -0.00713 0.01346 -0.03568 0.11577 0.00222 110 10 H 1S 0.00639 -0.01359 0.02190 0.00903 0.00432 111 2S 0.00827 -0.01487 0.04505 0.01560 0.00856 112 11 H 1S -0.00414 0.00969 -0.01087 -0.01365 -0.00276 113 2S -0.00691 0.01483 -0.01985 -0.02927 -0.00518 114 12 H 1S -0.00054 0.00126 0.00106 -0.00208 0.00003 115 2S 0.00105 -0.00172 -0.00177 0.00003 -0.00072 116 13 C 1S 0.00012 -0.00047 -0.00052 0.00018 0.00013 117 2S -0.00035 0.00092 0.00122 -0.00036 0.00066 118 2PX 0.00043 -0.00065 -0.00157 0.00057 -0.00047 119 2PY -0.00041 0.00108 0.00149 -0.00121 0.00003 120 2PZ -0.00023 0.00042 0.00052 -0.00053 -0.00245 121 3S -0.00034 0.00072 0.00516 0.00127 -0.01033 122 3PX -0.00028 0.00045 0.00132 0.00014 0.00587 123 3PY -0.00006 0.00031 -0.00046 -0.00110 0.00155 124 3PZ -0.00053 0.00083 0.00437 0.00067 -0.00469 125 4XX -0.00015 0.00032 0.00070 -0.00007 -0.00004 126 4YY 0.00011 -0.00026 -0.00051 0.00008 -0.00005 127 4ZZ -0.00002 0.00001 0.00004 0.00008 0.00022 128 4XY -0.00006 0.00012 0.00028 -0.00002 0.00010 129 4XZ 0.00005 -0.00010 -0.00026 0.00002 0.00010 130 4YZ -0.00003 0.00006 0.00008 -0.00006 0.00015 131 14 C 1S 0.00009 -0.00024 -0.00048 0.00012 0.00002 132 2S -0.00017 0.00049 0.00107 -0.00006 -0.00007 133 2PX 0.00018 -0.00079 -0.00110 0.00016 0.00030 134 2PY 0.00012 -0.00026 -0.00030 0.00024 0.00041 135 2PZ 0.00002 0.00006 -0.00000 0.00009 0.00024 136 3S -0.00033 0.00110 0.00100 -0.00145 -0.00088 137 3PX 0.00006 -0.00039 0.00043 0.00071 0.00003 138 3PY 0.00006 -0.00016 -0.00021 0.00011 0.00048 139 3PZ 0.00000 0.00001 -0.00041 -0.00028 0.00117 140 4XX 0.00002 -0.00001 -0.00012 -0.00004 -0.00004 141 4YY 0.00002 -0.00005 -0.00007 0.00004 -0.00004 142 4ZZ 0.00001 -0.00002 -0.00001 0.00005 0.00010 143 4XY 0.00004 -0.00010 -0.00019 0.00009 -0.00001 144 4XZ -0.00000 0.00002 0.00007 0.00002 0.00003 145 4YZ -0.00001 0.00003 0.00006 -0.00003 0.00002 146 15 H 1S 0.00013 -0.00040 -0.00061 0.00024 -0.00000 147 2S 0.00029 -0.00079 -0.00169 0.00041 -0.00051 148 16 H 1S 0.00001 0.00006 0.00015 0.00014 0.00058 149 2S 0.00009 -0.00018 -0.00030 0.00041 0.00055 150 17 H 1S -0.00014 0.00024 0.00049 -0.00033 -0.00017 151 2S 0.00002 -0.00011 -0.00066 -0.00037 0.00003 152 18 H 1S 0.00005 -0.00006 -0.00023 0.00027 0.00152 153 2S 0.00006 -0.00032 0.00024 0.00088 0.00059 154 19 H 1S -0.00031 0.00057 0.00118 -0.00007 0.00122 155 2S 0.00002 -0.00030 -0.00178 -0.00045 0.00946 156 20 H 1S 0.00171 -0.00378 -0.00633 0.00155 -0.00116 157 2S 0.00325 -0.00703 -0.01553 0.00424 -0.00133 81 82 83 84 85 81 3S 0.11942 82 3PX 0.00014 0.02527 83 3PY 0.00833 -0.00073 0.01987 84 3PZ 0.00103 -0.00830 -0.00406 0.07432 85 4XX -0.00215 0.00141 -0.00091 -0.00006 0.00058 86 4YY 0.00202 -0.00170 0.00199 0.00014 -0.00041 87 4ZZ -0.00562 0.00022 -0.00071 -0.00006 0.00013 88 4XY -0.00177 -0.00109 -0.00191 0.00002 0.00009 89 4XZ 0.00068 0.00007 -0.00030 0.00081 -0.00000 90 4YZ 0.00037 0.00005 0.00006 -0.00228 -0.00005 91 7 C 1S 0.00314 -0.00559 -0.00125 -0.00104 -0.00308 92 2S 0.01104 0.01825 -0.00516 0.00261 0.00531 93 2PX -0.07500 -0.04176 0.00799 -0.01844 -0.00153 94 2PY 0.00513 0.01840 0.00943 -0.00122 0.00260 95 2PZ -0.00996 -0.01664 -0.00404 0.06783 -0.00185 96 3S -0.01157 0.00310 -0.00952 0.00055 0.00513 97 3PX -0.01323 -0.00782 0.00108 -0.00833 -0.00037 98 3PY 0.00010 0.01334 0.00633 -0.00117 0.00143 99 3PZ -0.00062 -0.00740 -0.00337 0.04492 -0.00124 100 4XX 0.00470 0.00069 -0.00041 0.00127 0.00003 101 4YY -0.00355 -0.00198 0.00085 -0.00043 -0.00010 102 4ZZ -0.00094 -0.00037 0.00030 -0.00106 -0.00020 103 4XY -0.00355 -0.00094 -0.00138 -0.00021 0.00019 104 4XZ 0.00087 0.00086 0.00005 -0.00382 0.00005 105 4YZ -0.00088 -0.00052 -0.00023 0.00124 0.00009 106 8 H 1S -0.02777 -0.00661 0.00167 -0.00113 0.00243 107 2S -0.02706 -0.01450 -0.00049 -0.00234 0.00084 108 9 H 1S 0.05007 -0.01371 0.04076 0.00061 -0.00406 109 2S 0.01451 -0.01053 0.03303 0.00050 -0.00366 110 10 H 1S -0.02739 0.00452 0.00498 0.00110 0.00441 111 2S -0.02495 0.01086 0.00665 0.00221 0.00417 112 11 H 1S 0.01787 -0.01283 -0.00559 -0.00251 0.00020 113 2S 0.01781 -0.01670 -0.00877 -0.00323 0.00031 114 12 H 1S 0.00743 0.00094 -0.00029 0.00012 -0.00026 115 2S 0.00693 0.00024 -0.00254 -0.00043 -0.00071 116 13 C 1S 0.00205 0.00140 -0.00036 0.00055 0.00017 117 2S -0.00189 -0.00090 0.00101 0.00008 -0.00027 118 2PX 0.00108 0.00059 0.00141 0.00004 0.00021 119 2PY 0.00390 0.00204 0.00037 0.00069 0.00019 120 2PZ 0.00101 0.00294 0.00116 -0.00164 -0.00003 121 3S -0.00184 0.00085 0.00107 -0.00885 -0.00047 122 3PX 0.00070 0.00030 0.00014 0.00382 -0.00007 123 3PY 0.00085 0.00030 0.00015 0.00154 0.00018 124 3PZ 0.00102 0.00264 0.00070 -0.00348 0.00006 125 4XX 0.00091 0.00061 0.00004 0.00003 0.00001 126 4YY -0.00041 -0.00030 -0.00008 -0.00004 0.00001 127 4ZZ -0.00031 -0.00027 0.00000 0.00011 -0.00001 128 4XY 0.00009 0.00009 0.00004 0.00005 -0.00001 129 4XZ -0.00031 -0.00027 0.00004 0.00008 0.00000 130 4YZ 0.00039 0.00022 -0.00002 0.00015 0.00001 131 14 C 1S -0.00110 -0.00072 -0.00015 -0.00007 -0.00002 132 2S 0.00111 0.00104 0.00062 0.00006 0.00002 133 2PX -0.00207 -0.00204 -0.00242 -0.00016 -0.00005 134 2PY 0.00000 0.00034 0.00140 0.00059 -0.00004 135 2PZ -0.00199 -0.00013 0.00192 0.00041 -0.00007 136 3S 0.00405 0.00265 0.00055 0.00022 0.00020 137 3PX -0.00156 -0.00107 -0.00107 -0.00055 -0.00013 138 3PY 0.00014 0.00020 0.00065 0.00047 -0.00006 139 3PZ -0.00122 -0.00041 0.00074 0.00082 -0.00010 140 4XX -0.00006 -0.00004 0.00004 -0.00003 -0.00000 141 4YY -0.00005 -0.00008 -0.00015 -0.00005 0.00000 142 4ZZ -0.00012 -0.00005 0.00008 0.00008 -0.00000 143 4XY -0.00021 -0.00012 0.00006 -0.00001 -0.00001 144 4XZ -0.00000 -0.00001 0.00006 0.00003 0.00000 145 4YZ 0.00001 0.00003 0.00002 0.00001 -0.00000 146 15 H 1S 0.00002 -0.00030 -0.00052 -0.00005 -0.00002 147 2S -0.00126 -0.00112 -0.00053 -0.00052 -0.00006 148 16 H 1S -0.00111 -0.00006 0.00132 0.00061 -0.00004 149 2S -0.00174 -0.00072 0.00108 0.00059 -0.00000 150 17 H 1S 0.00038 -0.00016 -0.00149 -0.00034 0.00004 151 2S -0.00033 -0.00075 -0.00140 -0.00013 0.00003 152 18 H 1S -0.00254 -0.00291 -0.00037 0.00082 -0.00010 153 2S -0.00310 -0.00277 -0.00019 0.00054 0.00010 154 19 H 1S -0.00202 -0.00062 0.00083 0.00089 0.00022 155 2S -0.00355 -0.00293 0.00013 0.00702 0.00030 156 20 H 1S -0.01138 -0.00720 0.00010 -0.00132 0.00004 157 2S -0.01299 -0.00985 0.00015 -0.00093 -0.00014 86 87 88 89 90 86 4YY 0.00084 87 4ZZ -0.00005 0.00048 88 4XY -0.00019 0.00008 0.00063 89 4XZ -0.00009 0.00005 0.00001 0.00033 90 4YZ 0.00002 0.00001 0.00006 0.00006 0.00015 91 7 C 1S 0.00140 0.00084 0.00110 -0.00071 0.00023 92 2S -0.00334 -0.00200 -0.00237 0.00132 -0.00049 93 2PX 0.00471 0.00287 0.00387 -0.00169 0.00096 94 2PY -0.00357 -0.00034 0.00539 0.00053 0.00073 95 2PZ 0.00068 0.00216 0.00076 0.00589 -0.00094 96 3S -0.00367 -0.00089 -0.00102 0.00090 -0.00046 97 3PX 0.00147 0.00052 0.00111 -0.00078 0.00034 98 3PY -0.00152 -0.00006 0.00100 0.00016 0.00011 99 3PZ 0.00019 0.00135 0.00002 0.00431 -0.00045 100 4XX -0.00014 -0.00021 0.00018 0.00005 -0.00001 101 4YY 0.00028 0.00012 -0.00003 -0.00002 0.00001 102 4ZZ 0.00010 0.00013 0.00008 -0.00007 0.00005 103 4XY -0.00024 0.00012 0.00051 0.00008 0.00005 104 4XZ -0.00009 -0.00003 0.00003 0.00006 0.00014 105 4YZ -0.00002 -0.00004 0.00010 -0.00016 -0.00002 106 8 H 1S -0.00119 0.00051 0.00395 0.00068 0.00054 107 2S -0.00039 0.00071 0.00458 0.00033 0.00068 108 9 H 1S 0.00707 -0.00313 -0.00455 -0.00053 0.00009 109 2S 0.00664 -0.00124 -0.00420 -0.00078 -0.00005 110 10 H 1S -0.00314 0.00050 0.00067 0.00083 -0.00018 111 2S -0.00371 0.00069 -0.00083 0.00061 -0.00050 112 11 H 1S -0.00141 -0.00005 0.00015 0.00006 -0.00009 113 2S -0.00190 -0.00019 0.00082 0.00015 -0.00001 114 12 H 1S 0.00057 0.00002 -0.00032 -0.00008 -0.00001 115 2S 0.00152 -0.00007 -0.00094 -0.00025 -0.00003 116 13 C 1S -0.00000 -0.00012 -0.00001 -0.00024 -0.00003 117 2S -0.00003 0.00017 -0.00005 0.00054 0.00003 118 2PX 0.00007 -0.00015 0.00009 -0.00075 -0.00006 119 2PY -0.00010 -0.00017 0.00028 -0.00066 -0.00006 120 2PZ -0.00009 0.00000 0.00013 0.00018 0.00008 121 3S -0.00014 0.00052 -0.00008 0.00158 0.00038 122 3PX -0.00002 0.00010 -0.00003 0.00039 0.00003 123 3PY -0.00005 -0.00016 0.00023 -0.00054 -0.00011 124 3PZ -0.00013 -0.00002 0.00020 0.00003 0.00012 125 4XX -0.00003 -0.00001 0.00003 -0.00004 -0.00000 126 4YY 0.00002 0.00000 -0.00001 0.00000 0.00000 127 4ZZ 0.00001 -0.00000 -0.00002 0.00000 -0.00000 128 4XY -0.00001 0.00001 -0.00001 0.00003 0.00000 129 4XZ 0.00001 0.00000 -0.00001 -0.00001 -0.00000 130 4YZ -0.00001 -0.00001 0.00002 -0.00002 -0.00000 131 14 C 1S 0.00003 0.00001 -0.00003 0.00007 0.00000 132 2S -0.00005 -0.00001 0.00007 -0.00010 0.00000 133 2PX 0.00005 0.00006 -0.00015 0.00041 0.00004 134 2PY 0.00004 0.00004 -0.00012 0.00014 -0.00000 135 2PZ -0.00001 0.00006 -0.00004 0.00015 0.00001 136 3S -0.00010 -0.00023 0.00017 -0.00086 -0.00014 137 3PX 0.00001 0.00016 -0.00013 0.00063 0.00010 138 3PY 0.00001 0.00006 -0.00007 0.00018 0.00002 139 3PZ 0.00001 0.00009 -0.00007 0.00030 0.00002 140 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 141 4YY 0.00000 0.00000 -0.00000 0.00001 0.00000 142 4ZZ 0.00000 0.00000 -0.00001 0.00001 -0.00000 143 4XY 0.00001 0.00001 -0.00002 0.00003 0.00000 144 4XZ -0.00000 0.00000 0.00000 -0.00001 -0.00000 145 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00004 0.00002 -0.00008 0.00013 0.00001 147 2S 0.00010 0.00005 -0.00012 0.00023 0.00003 148 16 H 1S -0.00001 0.00004 -0.00004 0.00009 -0.00000 149 2S 0.00003 -0.00001 -0.00003 -0.00006 -0.00002 150 17 H 1S -0.00004 -0.00003 0.00008 -0.00006 0.00000 151 2S -0.00001 -0.00002 0.00007 -0.00004 0.00000 152 18 H 1S 0.00007 0.00006 -0.00013 0.00013 -0.00003 153 2S 0.00009 -0.00013 -0.00002 -0.00044 -0.00006 154 19 H 1S -0.00001 -0.00032 0.00001 -0.00091 -0.00010 155 2S 0.00006 -0.00036 0.00015 -0.00102 -0.00024 156 20 H 1S 0.00031 0.00005 -0.00036 0.00000 -0.00004 157 2S 0.00083 0.00015 -0.00057 0.00005 -0.00003 91 92 93 94 95 91 7 C 1S 1.02647 92 2S -0.03154 0.16392 93 2PX -0.00046 -0.00284 0.20982 94 2PY 0.00014 -0.00139 -0.00067 0.20929 95 2PZ -0.00016 -0.00007 0.00737 0.00305 0.16875 96 3S -0.08782 0.13417 0.02442 -0.01801 -0.00075 97 3PX -0.00138 0.00868 0.06246 0.00028 -0.00630 98 3PY 0.00071 0.00711 -0.01170 0.07415 -0.00300 99 3PZ -0.00023 0.00235 -0.00943 -0.00234 0.11380 100 4XX -0.00907 -0.00060 -0.00443 0.00531 0.00028 101 4YY -0.00936 -0.00032 0.00731 -0.00286 0.00139 102 4ZZ -0.00577 -0.00768 -0.00024 0.00035 -0.00106 103 4XY -0.00110 0.00178 0.00525 0.00793 0.00212 104 4XZ -0.00075 0.00158 0.00002 0.00176 -0.00228 105 4YZ -0.00049 0.00091 0.00200 0.00129 -0.00235 106 8 H 1S -0.03004 0.05663 0.08748 0.09856 0.02163 107 2S -0.00695 0.01265 0.08020 0.08790 0.01904 108 9 H 1S 0.00645 -0.01377 0.01859 -0.01431 0.00211 109 2S 0.00841 -0.01523 0.03500 -0.03048 0.00396 110 10 H 1S -0.00414 0.00958 -0.01695 0.00271 -0.00271 111 2S -0.00695 0.01475 -0.03356 0.00256 -0.00584 112 11 H 1S -0.00041 0.00065 -0.00146 -0.00159 -0.00036 113 2S 0.00079 -0.00133 -0.00150 -0.00109 -0.00035 114 12 H 1S -0.00390 0.00868 0.00408 -0.01675 -0.00048 115 2S -0.00744 0.01498 0.00987 -0.03837 -0.00206 116 13 C 1S -0.00064 0.00161 0.00248 -0.00054 -0.00435 117 2S 0.00146 -0.00340 -0.00590 0.00049 0.00921 118 2PX -0.00200 0.00461 0.00779 -0.00333 -0.01109 119 2PY 0.00062 -0.00163 0.00149 0.00482 -0.01153 120 2PZ 0.00065 -0.00103 -0.00076 0.00369 0.00189 121 3S 0.00129 -0.00362 -0.00976 0.00619 0.02379 122 3PX -0.00149 0.00218 -0.00208 0.00083 0.00972 123 3PY -0.00002 -0.00030 0.00254 0.00355 -0.00874 124 3PZ 0.00093 -0.00162 -0.00277 0.00991 -0.00245 125 4XX 0.00010 -0.00023 -0.00031 0.00066 -0.00097 126 4YY -0.00024 0.00056 0.00073 -0.00055 0.00012 127 4ZZ 0.00016 -0.00034 -0.00053 -0.00011 0.00013 128 4XY 0.00015 -0.00027 -0.00065 -0.00004 0.00048 129 4XZ -0.00015 0.00024 0.00030 -0.00041 0.00000 130 4YZ -0.00003 0.00004 0.00015 0.00028 -0.00036 131 14 C 1S 0.00000 -0.00017 -0.00021 -0.00027 0.00122 132 2S -0.00022 0.00037 0.00038 0.00072 -0.00167 133 2PX 0.00046 -0.00101 -0.00233 0.00012 0.00625 134 2PY -0.00009 0.00029 -0.00095 -0.00231 0.00207 135 2PZ -0.00003 -0.00062 -0.00079 -0.00092 0.00252 136 3S 0.00104 -0.00057 0.00282 -0.00145 -0.01598 137 3PX -0.00004 -0.00048 -0.00340 0.00108 0.01053 138 3PY 0.00002 -0.00019 -0.00090 -0.00126 0.00308 139 3PZ -0.00032 0.00025 -0.00103 -0.00184 0.00577 140 4XX 0.00002 -0.00003 0.00009 -0.00010 -0.00002 141 4YY -0.00004 0.00006 0.00007 0.00003 0.00012 142 4ZZ -0.00004 -0.00000 -0.00008 -0.00015 0.00019 143 4XY -0.00007 0.00016 0.00010 -0.00039 0.00048 144 4XZ -0.00001 0.00001 0.00002 -0.00006 -0.00016 145 4YZ 0.00000 -0.00002 -0.00002 0.00007 0.00004 146 15 H 1S -0.00005 0.00039 -0.00034 -0.00095 0.00194 147 2S -0.00025 0.00077 0.00027 -0.00175 0.00379 148 16 H 1S -0.00009 -0.00024 -0.00063 -0.00109 0.00148 149 2S -0.00007 -0.00031 0.00010 -0.00041 -0.00100 150 17 H 1S 0.00028 -0.00060 -0.00015 0.00232 -0.00113 151 2S 0.00013 -0.00042 0.00075 0.00173 -0.00055 152 18 H 1S 0.00035 -0.00149 -0.00245 -0.00172 0.00257 153 2S 0.00036 -0.00095 -0.00006 0.00198 -0.00829 154 19 H 1S 0.00159 -0.00387 -0.00269 0.00270 -0.01531 155 2S 0.00114 -0.00285 -0.00041 0.00556 -0.01386 156 20 H 1S -0.00412 0.00905 0.00946 -0.01067 0.00111 157 2S -0.00635 0.01348 0.02115 -0.02278 0.00474 96 97 98 99 100 96 3S 0.13415 97 3PX 0.01298 0.02450 98 3PY -0.00623 -0.00348 0.03107 99 3PZ -0.00082 -0.00776 -0.00260 0.07876 100 4XX -0.00113 -0.00075 0.00167 0.00040 0.00051 101 4YY 0.00097 0.00134 -0.00111 0.00040 -0.00025 102 4ZZ -0.00573 -0.00042 -0.00017 -0.00075 0.00007 103 4XY 0.00277 0.00108 0.00197 0.00079 0.00006 104 4XZ 0.00105 0.00029 0.00068 -0.00139 0.00002 105 4YZ 0.00125 0.00061 0.00029 -0.00176 0.00002 106 8 H 1S 0.05288 0.02714 0.03088 0.00693 0.00063 107 2S 0.01747 0.02011 0.02389 0.00477 0.00051 108 9 H 1S -0.02517 0.00447 -0.00244 0.00053 -0.00060 109 2S -0.02146 0.00880 -0.00776 0.00105 -0.00216 110 10 H 1S 0.01918 -0.01229 0.00799 -0.00153 -0.00086 111 2S 0.01830 -0.01606 0.01024 -0.00225 -0.00073 112 11 H 1S 0.00974 -0.00231 -0.00287 -0.00059 0.00013 113 2S 0.01104 -0.00506 -0.00517 -0.00121 0.00027 114 12 H 1S 0.02230 0.00877 -0.01398 0.00052 -0.00002 115 2S 0.02722 0.01147 -0.02110 -0.00028 -0.00069 116 13 C 1S -0.00095 0.00334 -0.00029 -0.00298 -0.00018 117 2S 0.00120 -0.00472 -0.00216 0.00610 0.00021 118 2PX 0.01163 0.00778 -0.00216 -0.00869 -0.00006 119 2PY -0.00429 0.00391 0.00233 -0.00896 0.00043 120 2PZ 0.00150 0.00063 -0.00352 0.00316 0.00018 121 3S -0.00177 -0.00760 0.00097 0.01642 -0.00008 122 3PX 0.00256 -0.00036 0.00031 0.00673 0.00003 123 3PY -0.00086 0.00217 0.00108 -0.00675 0.00023 124 3PZ -0.00272 -0.00117 0.00236 -0.00108 0.00016 125 4XX -0.00085 0.00042 0.00050 -0.00053 0.00010 126 4YY 0.00072 0.00014 -0.00016 0.00010 -0.00007 127 4ZZ -0.00026 -0.00057 -0.00010 -0.00005 -0.00003 128 4XY -0.00024 -0.00031 -0.00012 0.00043 0.00002 129 4XZ 0.00076 0.00002 -0.00022 -0.00013 -0.00003 130 4YZ -0.00031 0.00037 0.00023 -0.00023 0.00003 131 14 C 1S 0.00002 -0.00122 -0.00023 0.00075 -0.00010 132 2S 0.00149 0.00128 0.00007 -0.00116 0.00017 133 2PX -0.00956 -0.00525 0.00341 0.00489 -0.00035 134 2PY 0.00159 0.00052 -0.00499 0.00162 -0.00007 135 2PZ 0.00597 -0.00135 -0.00501 0.00107 -0.00006 136 3S 0.00032 0.00564 -0.00012 -0.01075 0.00050 137 3PX -0.00482 -0.00454 0.00191 0.00763 -0.00025 138 3PY 0.00039 0.00006 -0.00243 0.00235 -0.00002 139 3PZ 0.00360 -0.00121 -0.00301 0.00378 -0.00008 140 4XX 0.00028 0.00007 -0.00016 -0.00002 0.00000 141 4YY -0.00040 -0.00010 0.00033 0.00012 -0.00001 142 4ZZ 0.00016 -0.00011 -0.00026 0.00009 -0.00001 143 4XY 0.00042 -0.00004 -0.00036 0.00036 -0.00003 144 4XZ 0.00025 0.00006 -0.00002 -0.00018 0.00001 145 4YZ 0.00012 -0.00001 0.00002 0.00000 0.00001 146 15 H 1S -0.00301 -0.00052 0.00003 0.00191 -0.00011 147 2S -0.00138 -0.00117 -0.00085 0.00306 -0.00026 148 16 H 1S 0.00354 -0.00079 -0.00338 0.00057 -0.00003 149 2S 0.00299 -0.00097 -0.00261 -0.00144 -0.00009 150 17 H 1S -0.00448 -0.00107 0.00460 -0.00065 0.00005 151 2S -0.00353 -0.00097 0.00368 -0.00040 -0.00002 152 18 H 1S -0.00146 -0.00384 0.00096 0.00027 -0.00012 153 2S -0.00083 -0.00278 0.00193 -0.00746 -0.00018 154 19 H 1S -0.00252 -0.00250 -0.00189 -0.01228 -0.00002 155 2S -0.00030 -0.00246 -0.00094 -0.01166 -0.00012 156 20 H 1S 0.02089 -0.00120 -0.00497 -0.00034 -0.00097 157 2S 0.02735 0.00414 -0.01048 0.00181 -0.00152 101 102 103 104 105 101 4YY 0.00058 102 4ZZ 0.00004 0.00044 103 4XY 0.00010 -0.00009 0.00084 104 4XZ -0.00003 -0.00002 0.00010 0.00026 105 4YZ 0.00003 -0.00006 0.00013 -0.00010 0.00025 106 8 H 1S 0.00207 -0.00272 0.00765 0.00125 0.00171 107 2S 0.00223 -0.00088 0.00736 0.00081 0.00154 108 9 H 1S 0.00212 0.00026 -0.00418 -0.00049 -0.00056 109 2S 0.00284 0.00047 -0.00363 -0.00079 -0.00044 110 10 H 1S -0.00028 -0.00010 -0.00078 -0.00021 -0.00015 111 2S -0.00076 -0.00026 -0.00134 -0.00019 -0.00026 112 11 H 1S 0.00026 0.00002 0.00055 0.00006 0.00012 113 2S 0.00044 -0.00002 0.00136 0.00015 0.00028 114 12 H 1S -0.00099 -0.00011 -0.00093 -0.00005 -0.00024 115 2S -0.00071 -0.00035 -0.00152 -0.00018 -0.00027 116 13 C 1S 0.00012 -0.00002 -0.00012 0.00000 0.00020 117 2S -0.00003 0.00004 0.00021 -0.00008 -0.00034 118 2PX 0.00006 -0.00007 -0.00073 0.00022 0.00030 119 2PY -0.00034 0.00013 -0.00052 0.00001 0.00021 120 2PZ 0.00040 -0.00016 0.00016 0.00023 0.00015 121 3S 0.00017 0.00017 0.00084 0.00067 -0.00146 122 3PX 0.00011 -0.00011 -0.00007 0.00004 -0.00016 123 3PY -0.00011 0.00001 -0.00010 -0.00011 0.00037 124 3PZ 0.00015 0.00003 0.00037 0.00027 0.00004 125 4XX -0.00006 0.00001 -0.00015 0.00001 0.00002 126 4YY 0.00004 -0.00002 0.00005 -0.00000 0.00002 127 4ZZ -0.00000 0.00002 0.00005 -0.00001 -0.00002 128 4XY -0.00002 0.00001 -0.00002 -0.00001 -0.00002 129 4XZ 0.00001 -0.00001 0.00002 -0.00001 0.00000 130 4YZ -0.00001 -0.00000 -0.00004 0.00000 0.00001 131 14 C 1S 0.00005 -0.00003 0.00019 -0.00002 -0.00003 132 2S -0.00006 -0.00001 -0.00036 0.00007 0.00002 133 2PX 0.00008 0.00005 0.00082 -0.00015 -0.00011 134 2PY 0.00011 -0.00002 0.00007 -0.00008 -0.00002 135 2PZ 0.00001 -0.00006 -0.00003 -0.00007 -0.00015 136 3S -0.00045 0.00004 -0.00113 -0.00010 0.00046 137 3PX 0.00016 0.00001 0.00062 0.00004 -0.00035 138 3PY 0.00004 0.00001 0.00001 -0.00003 -0.00008 139 3PZ 0.00005 -0.00006 0.00004 -0.00003 -0.00019 140 4XX 0.00001 -0.00000 0.00000 0.00000 0.00000 141 4YY 0.00001 0.00000 0.00003 0.00000 0.00000 142 4ZZ -0.00000 0.00000 0.00000 -0.00001 -0.00001 143 4XY 0.00003 -0.00001 0.00003 -0.00000 -0.00001 144 4XZ -0.00002 0.00000 -0.00003 -0.00000 -0.00001 145 4YZ -0.00001 -0.00000 -0.00001 0.00000 -0.00001 146 15 H 1S 0.00012 0.00000 0.00023 -0.00002 0.00003 147 2S 0.00025 -0.00003 0.00046 -0.00000 -0.00002 148 16 H 1S -0.00003 -0.00003 -0.00008 -0.00007 -0.00009 149 2S -0.00001 -0.00000 0.00007 -0.00010 0.00002 150 17 H 1S -0.00010 0.00004 0.00005 0.00003 0.00003 151 2S -0.00004 0.00003 0.00017 0.00000 0.00005 152 18 H 1S -0.00021 0.00014 0.00026 -0.00020 -0.00023 153 2S -0.00013 0.00014 0.00044 -0.00023 0.00028 154 19 H 1S -0.00007 0.00022 0.00033 0.00011 0.00043 155 2S 0.00010 0.00010 0.00082 -0.00035 0.00096 156 20 H 1S 0.00018 -0.00017 0.00075 -0.00012 0.00017 157 2S 0.00067 -0.00041 0.00069 -0.00021 0.00017 106 107 108 109 110 106 8 H 1S 0.10833 107 2S 0.08656 0.08106 108 9 H 1S -0.01109 -0.01097 0.10876 109 2S -0.01165 -0.01146 0.08648 0.07890 110 10 H 1S -0.00505 -0.01116 -0.01087 -0.01131 0.10868 111 2S -0.01098 -0.01822 -0.01117 -0.01160 0.08653 112 11 H 1S 0.00149 0.00492 -0.00531 -0.01177 -0.01093 113 2S 0.00344 0.01050 -0.01180 -0.01922 -0.01141 114 12 H 1S -0.00570 -0.01119 0.00147 0.00326 -0.00506 115 2S -0.01160 -0.01790 0.00503 0.01051 -0.01127 116 13 C 1S 0.00017 -0.00027 0.00010 0.00036 -0.00005 117 2S -0.00129 0.00119 -0.00017 -0.00071 0.00012 118 2PX 0.00014 -0.00487 0.00028 -0.00021 -0.00003 119 2PY -0.00004 -0.00041 -0.00107 -0.00226 -0.00025 120 2PZ 0.00171 0.00276 -0.00070 -0.00113 -0.00044 121 3S 0.00170 0.00439 -0.00042 -0.00090 -0.00003 122 3PX 0.00091 -0.00046 -0.00001 -0.00027 -0.00030 123 3PY 0.00147 0.00151 -0.00075 -0.00128 -0.00021 124 3PZ 0.00322 0.00427 -0.00071 -0.00131 -0.00067 125 4XX -0.00032 -0.00073 -0.00015 -0.00037 0.00006 126 4YY 0.00030 0.00014 0.00011 0.00027 -0.00004 127 4ZZ -0.00018 0.00034 0.00009 0.00012 -0.00000 128 4XY -0.00034 -0.00019 -0.00002 -0.00006 0.00009 129 4XZ 0.00006 0.00004 0.00006 0.00009 -0.00002 130 4YZ 0.00003 -0.00018 -0.00006 -0.00013 -0.00000 131 14 C 1S 0.00034 0.00108 0.00017 0.00042 -0.00006 132 2S -0.00043 -0.00182 -0.00029 -0.00084 0.00017 133 2PX 0.00110 0.00415 0.00046 0.00188 -0.00019 134 2PY -0.00059 0.00271 0.00039 0.00029 0.00012 135 2PZ -0.00062 0.00174 0.00008 -0.00041 0.00012 136 3S -0.00376 -0.00705 -0.00099 -0.00195 0.00084 137 3PX 0.00127 0.00332 0.00038 0.00108 -0.00005 138 3PY -0.00052 0.00100 0.00016 0.00009 0.00018 139 3PZ -0.00044 0.00067 0.00003 -0.00006 -0.00009 140 4XX 0.00000 -0.00002 -0.00001 -0.00002 -0.00001 141 4YY 0.00011 0.00004 0.00003 0.00010 -0.00000 142 4ZZ -0.00006 0.00015 0.00004 0.00004 0.00003 143 4XY 0.00004 0.00016 0.00009 0.00015 -0.00000 144 4XZ -0.00010 -0.00019 0.00000 -0.00003 0.00003 145 4YZ -0.00002 -0.00010 -0.00003 -0.00006 0.00001 146 15 H 1S 0.00037 0.00159 0.00034 0.00082 -0.00008 147 2S 0.00110 0.00286 0.00063 0.00139 -0.00047 148 16 H 1S -0.00075 0.00092 0.00012 -0.00021 0.00020 149 2S -0.00004 0.00198 0.00033 0.00018 0.00002 150 17 H 1S 0.00051 -0.00111 -0.00037 -0.00014 -0.00008 151 2S 0.00104 0.00000 -0.00022 0.00015 -0.00029 152 18 H 1S -0.00112 0.00100 0.00053 0.00076 0.00014 153 2S 0.00099 0.00354 0.00064 0.00094 -0.00047 154 19 H 1S -0.00095 0.00491 0.00007 -0.00011 0.00024 155 2S 0.00259 0.00849 0.00012 0.00018 -0.00079 156 20 H 1S 0.00308 0.00071 0.00191 0.00467 -0.00004 157 2S 0.00410 0.00036 0.00502 0.00917 -0.00158 111 112 113 114 115 111 2S 0.07909 112 11 H 1S -0.01129 0.10878 113 2S -0.01182 0.08655 0.07900 114 12 H 1S -0.01096 -0.01100 -0.01143 0.10891 115 2S -0.01827 -0.01113 -0.01163 0.08769 0.08283 116 13 C 1S -0.00020 -0.00042 -0.00090 -0.00059 -0.00044 117 2S 0.00038 0.00086 0.00197 0.00121 0.00068 118 2PX -0.00050 -0.00128 -0.00292 -0.00227 -0.00313 119 2PY -0.00033 -0.00112 -0.00208 -0.00062 -0.00238 120 2PZ -0.00069 0.00107 0.00285 0.00201 0.00033 121 3S -0.00041 0.00239 0.00420 0.00234 0.00073 122 3PX -0.00043 -0.00044 -0.00057 -0.00153 -0.00210 123 3PY -0.00024 -0.00028 -0.00048 -0.00088 -0.00151 124 3PZ -0.00118 0.00113 0.00249 0.00130 -0.00059 125 4XX 0.00010 -0.00021 -0.00044 -0.00030 -0.00053 126 4YY -0.00007 0.00003 0.00002 -0.00007 0.00020 127 4ZZ 0.00001 0.00016 0.00030 0.00023 0.00030 128 4XY 0.00013 0.00000 -0.00001 -0.00010 0.00001 129 4XZ -0.00003 0.00004 0.00003 -0.00004 0.00003 130 4YZ -0.00001 -0.00010 -0.00019 -0.00015 -0.00030 131 14 C 1S -0.00005 0.00036 0.00066 0.00041 0.00098 132 2S 0.00019 -0.00061 -0.00123 -0.00098 -0.00158 133 2PX -0.00003 0.00120 0.00235 0.00181 0.00329 134 2PY 0.00011 0.00021 0.00047 0.00002 0.00166 135 2PZ 0.00038 -0.00003 -0.00027 -0.00027 0.00106 136 3S 0.00135 -0.00266 -0.00474 -0.00157 -0.00231 137 3PX -0.00014 0.00134 0.00238 0.00107 0.00157 138 3PY 0.00018 0.00010 0.00015 -0.00021 0.00063 139 3PZ 0.00010 -0.00007 -0.00012 -0.00012 0.00066 140 4XX -0.00002 0.00004 0.00008 0.00005 -0.00001 141 4YY -0.00001 0.00005 0.00008 0.00003 0.00004 142 4ZZ 0.00004 0.00001 -0.00001 -0.00004 0.00011 143 4XY -0.00002 0.00006 0.00012 0.00004 0.00018 144 4XZ 0.00004 -0.00009 -0.00019 -0.00012 -0.00008 145 4YZ 0.00002 -0.00004 -0.00008 -0.00005 -0.00008 146 15 H 1S -0.00017 0.00051 0.00105 0.00058 0.00115 147 2S -0.00067 0.00111 0.00212 0.00128 0.00205 148 16 H 1S 0.00042 -0.00023 -0.00059 -0.00046 0.00070 149 2S 0.00012 0.00016 0.00006 -0.00018 0.00104 150 17 H 1S -0.00003 -0.00005 -0.00006 0.00024 -0.00080 151 2S -0.00030 0.00022 0.00039 0.00027 -0.00036 152 18 H 1S 0.00037 0.00040 0.00038 0.00028 0.00133 153 2S -0.00056 0.00087 0.00133 0.00082 0.00169 154 19 H 1S 0.00062 0.00129 0.00294 0.00179 0.00213 155 2S -0.00113 0.00279 0.00535 0.00321 0.00241 156 20 H 1S 0.00013 -0.00111 -0.00251 -0.00164 0.00636 157 2S -0.00275 -0.00162 -0.00281 0.00729 0.01461 116 117 118 119 120 116 13 C 1S 1.02460 117 2S -0.02931 0.15400 118 2PX 0.00001 0.00253 0.17997 119 2PY 0.00396 -0.00869 0.03228 0.04503 120 2PZ 0.00340 -0.00387 0.01611 -0.05477 0.17125 121 3S -0.07476 0.12083 -0.01795 -0.01068 -0.01277 122 3PX 0.00073 -0.00147 0.05211 0.00843 0.00518 123 3PY 0.00133 -0.00105 0.01184 0.01728 -0.01727 124 3PZ 0.00332 -0.00762 -0.00134 -0.01796 0.05681 125 4XX -0.00863 0.00029 0.00517 0.00003 0.00329 126 4YY -0.00451 -0.00951 -0.00115 -0.00120 0.00184 127 4ZZ -0.00966 0.00195 -0.00526 0.00242 -0.00788 128 4XY -0.00104 0.00249 -0.00226 -0.00113 0.00261 129 4XZ -0.00105 0.00221 0.00247 0.00254 -0.00559 130 4YZ 0.00220 -0.00495 0.00237 0.00134 -0.00007 131 14 C 1S 0.00682 -0.01300 -0.03233 -0.00297 -0.00818 132 2S -0.01276 0.02264 0.06479 0.00607 0.01659 133 2PX 0.03714 -0.07732 -0.14405 -0.01938 -0.03745 134 2PY 0.00178 -0.00313 -0.01550 0.03285 0.00838 135 2PZ 0.00686 -0.01431 -0.03373 0.00667 0.00296 136 3S -0.00521 0.01551 0.08164 0.00804 0.02513 137 3PX 0.01158 -0.02871 -0.07459 -0.01163 -0.01852 138 3PY 0.00048 -0.00064 -0.00862 0.01474 0.00501 139 3PZ 0.00153 -0.00374 -0.01663 0.00164 0.00257 140 4XX -0.00317 0.00536 0.00359 -0.00049 0.00203 141 4YY 0.00133 -0.00290 -0.00328 -0.00168 -0.00085 142 4ZZ 0.00092 -0.00225 -0.00361 0.00169 -0.00225 143 4XY -0.00042 0.00089 -0.00023 0.00003 0.00240 144 4XZ -0.00110 0.00190 0.00202 0.00180 -0.00397 145 4YZ -0.00001 0.00009 0.00028 -0.00045 -0.00035 146 15 H 1S 0.00416 -0.00981 -0.01569 0.00439 0.00724 147 2S 0.00483 -0.01021 -0.02792 -0.00174 0.01118 148 16 H 1S 0.00355 -0.00917 -0.01510 0.01256 -0.00486 149 2S 0.00486 -0.01096 -0.02541 0.01488 -0.02041 150 17 H 1S 0.00457 -0.01162 -0.00774 -0.02119 -0.01104 151 2S 0.00636 -0.01310 -0.01836 -0.01823 -0.01437 152 18 H 1S -0.03149 0.05962 -0.04270 0.03073 -0.11874 153 2S -0.00885 0.01942 -0.03906 0.03226 -0.10757 154 19 H 1S 0.00402 -0.00967 -0.00017 0.01873 -0.00753 155 2S 0.00597 -0.01264 -0.00069 0.02496 -0.02629 156 20 H 1S 0.00468 -0.01159 0.01250 -0.01462 -0.01567 157 2S 0.00628 -0.01266 0.01917 -0.00726 -0.02211 121 122 123 124 125 121 3S 0.11024 122 3PX -0.00504 0.01731 123 3PY -0.00448 0.00270 0.00741 124 3PZ -0.00693 0.00003 -0.00584 0.02077 125 4XX -0.00053 0.00133 0.00003 0.00096 0.00052 126 4YY -0.00695 -0.00007 -0.00061 0.00093 -0.00002 127 4ZZ 0.00278 -0.00153 0.00097 -0.00253 -0.00032 128 4XY 0.00189 -0.00055 -0.00027 0.00082 0.00003 129 4XZ 0.00186 0.00041 0.00084 -0.00212 -0.00007 130 4YZ -0.00411 0.00066 0.00039 0.00017 0.00008 131 14 C 1S 0.00234 -0.00430 -0.00071 -0.00096 -0.00329 132 2S 0.00255 0.01410 0.00186 0.00295 0.00565 133 2PX -0.04774 -0.04169 -0.00958 -0.00302 -0.00312 134 2PY -0.00539 -0.00200 0.01581 0.00534 -0.00044 135 2PZ -0.00999 -0.01558 0.00355 -0.00136 -0.00250 136 3S -0.00873 0.01710 0.00309 0.00467 0.00646 137 3PX -0.01339 -0.02084 -0.00581 -0.00139 -0.00167 138 3PY -0.00139 -0.00114 0.00709 0.00281 -0.00023 139 3PZ -0.00141 -0.00722 0.00091 -0.00046 -0.00121 140 4XX 0.00401 0.00110 -0.00006 0.00034 0.00008 141 4YY -0.00194 -0.00087 -0.00082 0.00004 -0.00000 142 4ZZ -0.00165 -0.00127 0.00069 -0.00066 -0.00018 143 4XY 0.00061 0.00011 0.00016 0.00083 0.00001 144 4XZ 0.00155 0.00043 0.00064 -0.00162 -0.00007 145 4YZ 0.00016 -0.00015 -0.00024 -0.00031 -0.00005 146 15 H 1S -0.01110 -0.00286 0.00218 0.00626 0.00183 147 2S -0.00731 -0.00545 0.00001 0.00753 0.00035 148 16 H 1S -0.01065 -0.00933 0.00536 -0.00278 -0.00016 149 2S -0.00861 -0.01072 0.00634 -0.00730 -0.00160 150 17 H 1S -0.00927 -0.00465 -0.01071 -0.00286 0.00154 151 2S -0.00748 -0.00635 -0.00902 -0.00373 0.00009 152 18 H 1S 0.05720 -0.01392 0.01072 -0.04065 -0.00323 153 2S 0.02179 -0.01291 0.01172 -0.03512 -0.00331 154 19 H 1S -0.01726 0.00215 0.01127 -0.00272 -0.00160 155 2S -0.01681 0.00031 0.01250 -0.00760 -0.00192 156 20 H 1S -0.01437 0.00673 -0.00550 -0.01010 -0.00093 157 2S -0.01237 0.00677 -0.00381 -0.01174 -0.00104 126 127 128 129 130 126 4YY 0.00075 127 4ZZ -0.00017 0.00080 128 4XY -0.00006 -0.00007 0.00029 129 4XZ -0.00021 0.00026 -0.00012 0.00047 130 4YZ 0.00024 -0.00015 -0.00013 0.00001 0.00024 131 14 C 1S 0.00109 0.00120 -0.00013 -0.00095 -0.00008 132 2S -0.00230 -0.00273 0.00018 0.00169 0.00026 133 2PX 0.00503 0.00359 0.00004 -0.00287 0.00034 134 2PY 0.00060 0.00038 0.00522 -0.00056 0.00029 135 2PZ 0.00046 0.00297 -0.00040 0.00506 0.00075 136 3S -0.00202 -0.00403 -0.00011 0.00164 0.00092 137 3PX 0.00201 0.00206 0.00024 -0.00136 -0.00022 138 3PY 0.00029 0.00012 0.00258 -0.00029 0.00010 139 3PZ 0.00014 0.00134 -0.00004 0.00241 0.00023 140 4XX -0.00029 -0.00010 0.00006 -0.00002 -0.00014 141 4YY 0.00021 -0.00002 -0.00009 -0.00023 0.00001 142 4ZZ 0.00011 0.00028 0.00007 0.00024 0.00007 143 4XY 0.00003 -0.00011 0.00026 -0.00011 -0.00004 144 4XZ -0.00017 0.00020 -0.00011 0.00034 -0.00000 145 4YZ -0.00003 0.00006 -0.00016 0.00019 0.00002 146 15 H 1S 0.00088 -0.00119 0.00278 -0.00271 -0.00007 147 2S 0.00123 -0.00070 0.00252 -0.00293 -0.00031 148 16 H 1S -0.00003 0.00179 0.00040 0.00373 0.00064 149 2S 0.00016 0.00287 0.00004 0.00328 0.00044 150 17 H 1S 0.00024 -0.00033 -0.00278 -0.00051 -0.00002 151 2S 0.00057 0.00038 -0.00242 -0.00068 -0.00011 152 18 H 1S -0.00466 0.00775 -0.00055 0.00450 -0.00227 153 2S -0.00232 0.00702 -0.00125 0.00381 -0.00099 154 19 H 1S -0.00072 0.00415 -0.00114 -0.00113 -0.00069 155 2S -0.00074 0.00438 -0.00176 0.00027 -0.00006 156 20 H 1S 0.00310 -0.00075 0.00131 0.00048 -0.00101 157 2S 0.00261 -0.00065 0.00043 0.00135 -0.00034 131 132 133 134 135 131 14 C 1S 1.02542 132 2S -0.02700 0.15128 133 2PX -0.00004 -0.00133 0.20120 134 2PY 0.00021 -0.00012 0.00102 0.20079 135 2PZ -0.00001 -0.00090 -0.00095 -0.00118 0.20316 136 3S -0.09128 0.14304 -0.02042 -0.00591 0.00053 137 3PX 0.00026 0.00071 0.09868 0.00138 -0.00215 138 3PY 0.00094 -0.00117 0.00003 0.09652 0.00037 139 3PZ -0.00021 0.00014 -0.00141 0.00114 0.09581 140 4XX -0.00846 -0.00174 -0.00713 -0.00085 -0.00357 141 4YY -0.00923 -0.00018 0.00680 -0.00393 -0.00494 142 4ZZ -0.00926 -0.00014 0.00335 0.00491 0.00911 143 4XY 0.00011 -0.00017 -0.00099 0.00759 -0.00166 144 4XZ 0.00030 -0.00062 -0.00370 -0.00169 0.00445 145 4YZ 0.00010 -0.00024 -0.00126 -0.00551 0.00583 146 15 H 1S -0.02622 0.05089 0.05816 0.09132 -0.07600 147 2S -0.00406 0.01312 0.04877 0.07808 -0.06558 148 16 H 1S -0.02593 0.04956 0.02012 0.02751 0.12655 149 2S -0.00327 0.01111 0.01807 0.02271 0.10842 150 17 H 1S -0.02573 0.04936 0.05727 -0.10915 -0.02263 151 2S -0.00340 0.01160 0.04703 -0.09214 -0.01920 152 18 H 1S 0.00606 -0.01392 0.02010 -0.00237 0.01286 153 2S 0.00733 -0.01556 0.03632 -0.00271 0.02291 154 19 H 1S 0.00305 -0.00630 0.01172 -0.00299 -0.00518 155 2S 0.00232 -0.00528 0.01562 -0.00432 0.00409 156 20 H 1S 0.00038 -0.00018 -0.00098 0.00887 0.00276 157 2S -0.00090 0.00179 -0.00506 0.00537 0.00612 136 137 138 139 140 136 3S 0.14724 137 3PX -0.01129 0.04981 138 3PY -0.00396 0.00058 0.04650 139 3PZ 0.00014 -0.00100 0.00112 0.04550 140 4XX -0.00071 -0.00328 -0.00038 -0.00160 0.00049 141 4YY -0.00004 0.00330 -0.00193 -0.00239 -0.00007 142 4ZZ 0.00003 0.00155 0.00237 0.00429 -0.00024 143 4XY -0.00039 -0.00036 0.00368 -0.00064 0.00006 144 4XZ -0.00034 -0.00184 -0.00080 0.00208 0.00004 145 4YZ 0.00011 -0.00070 -0.00262 0.00271 -0.00004 146 15 H 1S 0.04056 0.03017 0.04312 -0.03500 -0.00145 147 2S 0.00443 0.02553 0.03716 -0.03009 -0.00080 148 16 H 1S 0.04573 0.00932 0.01331 0.05992 -0.00360 149 2S 0.00780 0.00809 0.01101 0.05097 -0.00290 150 17 H 1S 0.04539 0.02814 -0.05312 -0.01179 -0.00164 151 2S 0.00890 0.02289 -0.04465 -0.01012 -0.00108 152 18 H 1S -0.02628 0.01418 -0.00143 0.00634 -0.00013 153 2S -0.02570 0.01927 -0.00209 0.00989 -0.00149 154 19 H 1S -0.01421 0.00509 -0.00342 -0.00514 -0.00016 155 2S -0.01229 0.00666 -0.00406 -0.00065 -0.00065 156 20 H 1S -0.00242 -0.00125 0.00469 0.00254 -0.00050 157 2S 0.00087 -0.00338 0.00286 0.00416 -0.00048 141 142 143 144 145 141 4YY 0.00052 142 4ZZ -0.00013 0.00070 143 4XY -0.00014 0.00007 0.00035 144 4XZ -0.00022 0.00015 -0.00013 0.00031 145 4YZ -0.00008 0.00011 -0.00025 0.00021 0.00033 146 15 H 1S 0.00212 -0.00020 0.00384 -0.00395 -0.00511 147 2S 0.00173 -0.00043 0.00349 -0.00347 -0.00436 148 16 H 1S -0.00287 0.00697 -0.00026 0.00222 0.00268 149 2S -0.00257 0.00602 -0.00039 0.00237 0.00238 150 17 H 1S 0.00475 -0.00261 -0.00434 -0.00083 0.00192 151 2S 0.00387 -0.00231 -0.00364 -0.00050 0.00167 152 18 H 1S -0.00041 0.00199 -0.00133 0.00332 0.00056 153 2S 0.00011 0.00269 -0.00159 0.00275 0.00071 154 19 H 1S 0.00030 0.00024 -0.00078 -0.00033 -0.00034 155 2S 0.00020 0.00084 -0.00110 0.00029 0.00001 156 20 H 1S 0.00007 0.00066 0.00098 0.00060 -0.00016 157 2S -0.00014 0.00071 0.00064 0.00090 0.00008 146 147 148 149 150 146 15 H 1S 0.10404 147 2S 0.07905 0.06612 148 16 H 1S -0.01204 -0.02159 0.10248 149 2S -0.02202 -0.02260 0.07790 0.06628 150 17 H 1S -0.00765 -0.01704 -0.00676 -0.01546 0.09514 151 2S -0.01726 -0.01745 -0.01599 -0.01522 0.06989 152 18 H 1S -0.01063 -0.01047 0.01160 0.02241 0.00165 153 2S -0.01010 -0.00989 0.01836 0.02814 0.00495 154 19 H 1S 0.00084 0.00217 -0.00347 0.00424 0.00453 155 2S -0.00266 -0.00202 0.00371 0.01069 0.00576 156 20 H 1S 0.00267 0.00278 0.00421 0.00452 -0.00718 157 2S -0.00111 -0.00118 0.00629 0.00595 -0.00591 151 152 153 154 155 151 2S 0.05640 152 18 H 1S 0.00573 0.11187 153 2S 0.00860 0.09002 0.08158 154 19 H 1S 0.00643 0.01080 0.02215 0.10349 155 2S 0.00719 0.02172 0.03242 0.08067 0.07265 156 20 H 1S -0.00550 0.00088 0.00275 -0.00693 -0.01741 157 2S -0.00483 0.00421 0.00545 -0.01730 -0.01769 156 157 156 20 H 1S 0.09752 157 2S 0.07327 0.06344 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05089 2 2S -0.01163 0.30487 3 2PX 0.00000 0.00000 0.39036 4 2PY 0.00000 0.00000 -0.00000 0.39917 5 2PZ 0.00000 0.00000 0.00000 -0.00000 0.39935 6 3S -0.03556 0.23720 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.11065 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.10210 -0.00000 9 3PZ 0.00000 0.00000 0.00000 -0.00000 0.10218 10 4XX -0.00123 -0.00396 0.00000 0.00000 0.00000 11 4YY -0.00138 -0.00096 0.00000 0.00000 0.00000 12 4ZZ -0.00135 -0.00132 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 -0.00019 -0.00133 -0.00007 -0.00004 17 2S -0.00019 0.00514 0.02649 0.00128 0.00086 18 2PX -0.00124 0.02350 0.07167 0.00453 0.00299 19 2PY -0.00006 0.00109 0.00441 -0.00037 0.00010 20 2PZ -0.00003 0.00053 0.00259 0.00011 0.00134 21 3S 0.00017 0.00274 0.02776 0.00269 0.00086 22 3PX -0.00028 0.00914 0.00727 0.00067 0.00079 23 3PY 0.00014 -0.00055 0.00043 -0.00176 0.00000 24 3PZ 0.00000 0.00006 0.00050 -0.00000 -0.00065 25 4XX -0.00011 0.00239 0.00130 0.00039 0.00025 26 4YY 0.00000 -0.00033 -0.00085 0.00003 -0.00001 27 4ZZ 0.00000 -0.00016 -0.00045 -0.00002 0.00002 28 4XY -0.00002 0.00026 0.00059 0.00080 0.00003 29 4XZ -0.00001 0.00011 0.00023 0.00003 0.00094 30 4YZ -0.00000 0.00001 0.00003 0.00002 0.00003 31 3 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00004 -0.00017 -0.00002 -0.00001 33 2PX 0.00000 -0.00017 -0.00059 -0.00005 -0.00004 34 2PY 0.00000 -0.00001 -0.00010 -0.00000 -0.00000 35 2PZ 0.00000 -0.00001 -0.00003 -0.00000 -0.00001 36 3S 0.00005 -0.00106 -0.00494 -0.00045 -0.00023 37 3PX 0.00002 -0.00045 0.00102 0.00065 0.00000 38 3PY -0.00000 -0.00002 -0.00176 -0.00028 -0.00005 39 3PZ 0.00000 0.00001 -0.00017 0.00003 -0.00050 40 4XX -0.00000 0.00002 0.00010 0.00000 0.00001 41 4YY 0.00000 -0.00000 -0.00002 -0.00000 -0.00000 42 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 43 4XY -0.00000 0.00000 0.00001 -0.00000 0.00000 44 4XZ -0.00000 0.00000 0.00001 0.00000 0.00000 45 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 46 4 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 47 2S -0.00000 0.00000 0.00000 0.00000 0.00000 48 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 49 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 50 2PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 51 3S -0.00000 0.00002 0.00013 0.00000 0.00001 52 3PX -0.00000 0.00005 0.00031 0.00001 0.00002 53 3PY 0.00000 -0.00000 -0.00002 0.00000 -0.00000 54 3PZ -0.00000 0.00000 0.00001 0.00000 -0.00000 55 4XX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 56 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 57 4ZZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 58 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 59 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 60 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 61 5 C 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 62 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 63 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 64 2PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 65 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 66 3S -0.00000 0.00000 0.00000 0.00000 0.00000 67 3PX -0.00000 0.00000 -0.00001 0.00000 0.00000 68 3PY -0.00000 0.00000 0.00000 0.00000 -0.00000 69 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 72 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY -0.00000 0.00000 0.00000 -0.00000 0.00000 74 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 75 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 76 6 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 77 2S -0.00000 0.00000 0.00000 0.00000 0.00000 78 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 80 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 81 3S -0.00000 0.00001 0.00009 0.00003 0.00000 82 3PX -0.00000 0.00005 0.00018 0.00008 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 -0.00004 -0.00011 -0.00009 -0.00000 93 2PX 0.00000 -0.00011 -0.00021 -0.00016 -0.00001 94 2PY 0.00000 -0.00008 -0.00029 -0.00009 -0.00000 95 2PZ 0.00000 -0.00000 -0.00001 -0.00000 -0.00003 96 3S 0.00006 -0.00139 -0.00316 -0.00216 -0.00004 97 3PX 0.00008 -0.00086 0.00102 0.00031 0.00001 98 3PY 0.00008 -0.00096 -0.00305 -0.00068 -0.00005 99 3PZ 0.00000 -0.00001 0.00001 0.00004 -0.00064 100 4XX -0.00000 0.00001 0.00003 0.00002 0.00000 101 4YY 0.00000 -0.00000 -0.00002 -0.00000 -0.00000 102 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 103 4XY -0.00000 0.00001 0.00006 0.00002 0.00000 104 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 107 2S 0.00002 -0.00039 -0.00070 -0.00052 -0.00001 108 9 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 109 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 110 10 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 111 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 112 11 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 113 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 114 12 H 1S 0.00000 -0.00000 -0.00002 -0.00001 -0.00000 115 2S 0.00001 -0.00030 -0.00115 0.00022 -0.00004 116 13 C 1S 0.00000 -0.00022 -0.00062 -0.00038 -0.00064 117 2S -0.00022 0.00573 0.01144 0.00737 0.01195 118 2PX -0.00056 0.01082 0.00669 0.01080 0.01609 119 2PY -0.00033 0.00626 0.01066 0.00015 0.01101 120 2PZ -0.00057 0.01085 0.01596 0.01104 0.00634 121 3S 0.00017 0.00307 0.01252 0.00703 0.01416 122 3PX -0.00022 0.00497 -0.00107 0.00409 0.00701 123 3PY -0.00031 0.00459 0.00462 -0.00268 0.00535 124 3PZ -0.00050 0.00704 0.00665 0.00522 -0.00159 125 4XX -0.00001 0.00015 -0.00065 0.00023 0.00042 126 4YY -0.00000 0.00004 0.00013 -0.00018 0.00013 127 4ZZ -0.00001 0.00002 0.00040 0.00022 -0.00070 128 4XY -0.00004 0.00057 0.00018 -0.00001 0.00085 129 4XZ -0.00006 0.00103 0.00037 0.00083 0.00024 130 4YZ -0.00003 0.00048 0.00076 -0.00001 0.00011 131 14 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 -0.00003 -0.00012 -0.00002 -0.00001 133 2PX 0.00000 -0.00013 -0.00038 -0.00009 -0.00005 134 2PY 0.00000 -0.00001 -0.00004 0.00000 -0.00001 135 2PZ 0.00000 -0.00001 -0.00002 -0.00001 -0.00000 136 3S 0.00004 -0.00083 -0.00304 -0.00020 0.00006 137 3PX 0.00010 -0.00191 -0.00392 -0.00090 -0.00058 138 3PY 0.00001 -0.00020 -0.00026 -0.00006 -0.00016 139 3PZ 0.00001 -0.00017 -0.00000 -0.00012 -0.00018 140 4XX -0.00000 0.00000 0.00002 0.00001 0.00000 141 4YY -0.00000 0.00000 0.00000 0.00000 0.00000 142 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 143 4XY -0.00000 0.00000 0.00002 0.00000 0.00000 144 4XZ -0.00000 0.00000 0.00001 0.00000 -0.00000 145 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 146 15 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 147 2S -0.00000 0.00008 0.00022 0.00005 0.00004 148 16 H 1S 0.00000 -0.00000 -0.00001 -0.00000 0.00000 149 2S 0.00001 -0.00020 -0.00031 -0.00015 0.00010 150 17 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 151 2S -0.00000 0.00001 0.00003 -0.00000 -0.00004 152 18 H 1S 0.00000 -0.00014 -0.00005 -0.00010 -0.00040 153 2S 0.00015 -0.00268 -0.00054 -0.00123 -0.00689 154 19 H 1S -0.00160 0.02644 0.00570 0.00530 0.08507 155 2S -0.00046 0.00921 0.00360 0.00371 0.05474 156 20 H 1S -0.00156 0.02600 0.00148 0.09245 0.00058 157 2S -0.00031 0.00753 0.00114 0.06033 0.00044 6 7 8 9 10 6 3S 0.33282 7 3PX 0.00000 0.10641 8 3PY 0.00000 0.00000 0.08422 9 3PZ 0.00000 0.00000 -0.00000 0.08392 10 4XX -0.00161 0.00000 0.00000 0.00000 0.00159 11 4YY -0.00102 0.00000 0.00000 0.00000 -0.00023 12 4ZZ -0.00144 0.00000 0.00000 0.00000 -0.00015 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 -0.00030 -0.00175 -0.00014 -0.00010 -0.00012 17 2S 0.00319 0.01966 0.00114 0.00087 0.00260 18 2PX 0.04102 0.03071 0.00313 0.00184 0.00233 19 2PY 0.00221 0.00477 0.00290 0.00018 0.00051 20 2PZ 0.00121 0.00320 0.00013 0.00256 0.00029 21 3S -0.00287 0.02130 0.00281 0.00105 0.00347 22 3PX 0.00468 0.00145 0.00052 0.00048 0.00041 23 3PY -0.00080 0.00044 -0.00203 0.00001 0.00019 24 3PZ 0.00041 0.00197 0.00005 0.00068 0.00024 25 4XX 0.00429 0.00154 0.00019 0.00015 0.00001 26 4YY -0.00169 -0.00185 -0.00013 -0.00004 -0.00004 27 4ZZ -0.00034 -0.00056 -0.00001 -0.00007 -0.00005 28 4XY 0.00020 0.00009 0.00048 0.00001 -0.00002 29 4XZ 0.00007 0.00002 0.00001 0.00055 -0.00001 30 4YZ 0.00000 0.00001 0.00002 0.00005 -0.00000 31 3 C 1S 0.00007 0.00012 0.00001 0.00000 -0.00000 32 2S -0.00094 -0.00153 -0.00032 -0.00004 0.00001 33 2PX -0.00513 -0.00488 0.00036 -0.00009 0.00003 34 2PY -0.00005 -0.00086 -0.00032 0.00002 0.00001 35 2PZ -0.00024 0.00012 0.00010 0.00010 0.00001 36 3S -0.00673 -0.01177 -0.00075 -0.00047 -0.00006 37 3PX -0.00417 0.00152 0.00181 0.00039 0.00018 38 3PY -0.00096 -0.00360 -0.00152 -0.00006 -0.00007 39 3PZ -0.00047 0.00071 0.00027 0.00014 0.00006 40 4XX 0.00038 0.00073 0.00002 0.00004 0.00000 41 4YY -0.00020 -0.00042 -0.00000 -0.00002 -0.00000 42 4ZZ 0.00004 0.00008 -0.00000 -0.00000 -0.00000 43 4XY -0.00003 -0.00003 -0.00001 0.00000 0.00000 44 4XZ 0.00002 0.00005 -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 0.00003 0.00007 -0.00000 0.00000 -0.00000 48 2PX 0.00014 0.00026 -0.00001 0.00001 -0.00000 49 2PY -0.00000 0.00001 -0.00000 0.00000 0.00000 50 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 51 3S 0.00051 0.00137 0.00003 0.00006 0.00000 52 3PX 0.00139 0.00252 0.00001 0.00012 0.00000 53 3PY -0.00006 -0.00010 0.00002 -0.00000 0.00000 54 3PZ -0.00002 -0.00005 0.00001 0.00004 -0.00000 55 4XX -0.00000 -0.00001 0.00000 -0.00000 -0.00000 56 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 57 4ZZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 58 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 59 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 60 4YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 61 5 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 62 2S -0.00000 0.00000 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 64 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 65 2PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 66 3S 0.00002 0.00012 0.00001 0.00000 -0.00000 67 3PX 0.00009 0.00011 0.00002 -0.00000 -0.00000 68 3PY 0.00000 0.00003 0.00001 0.00000 -0.00000 69 3PZ -0.00000 -0.00007 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 0.00003 0.00008 0.00001 0.00000 0.00000 78 2PX 0.00011 0.00027 -0.00002 0.00000 0.00000 79 2PY 0.00003 0.00006 0.00001 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 -0.00001 -0.00000 81 3S 0.00045 0.00116 0.00027 0.00002 0.00000 82 3PX 0.00104 0.00194 0.00024 0.00002 0.00000 83 3PY 0.00008 0.00009 0.00004 0.00002 0.00000 84 3PZ 0.00005 0.00000 0.00004 -0.00020 -0.00000 85 4XX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 86 4YY -0.00000 -0.00001 -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 0.00006 0.00013 0.00004 0.00000 0.00000 92 2S -0.00092 -0.00163 -0.00073 0.00001 -0.00000 93 2PX -0.00362 -0.00345 -0.00015 -0.00011 -0.00000 94 2PY -0.00207 -0.00427 0.00017 -0.00010 -0.00000 95 2PZ 0.00003 0.00011 0.00011 -0.00071 0.00000 96 3S -0.00786 -0.01058 -0.00393 -0.00014 -0.00014 97 3PX -0.00406 -0.00034 0.00180 -0.00011 -0.00000 98 3PY -0.00595 -0.00838 -0.00004 -0.00023 -0.00019 99 3PZ 0.00029 0.00043 0.00034 -0.00300 0.00003 100 4XX 0.00027 0.00038 0.00014 0.00001 0.00000 101 4YY -0.00024 -0.00037 -0.00003 -0.00000 0.00000 102 4ZZ 0.00003 0.00005 0.00000 -0.00000 -0.00000 103 4XY 0.00011 0.00019 0.00007 0.00000 0.00000 104 4XZ 0.00000 0.00001 -0.00000 0.00003 0.00000 105 4YZ 0.00000 0.00002 0.00000 0.00001 0.00000 106 8 H 1S -0.00045 -0.00031 -0.00041 0.00000 -0.00000 107 2S -0.00337 -0.00213 -0.00187 -0.00001 -0.00004 108 9 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 109 2S -0.00005 -0.00010 -0.00002 -0.00000 -0.00000 110 10 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 111 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 112 11 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 113 2S -0.00005 -0.00012 0.00000 -0.00000 0.00000 114 12 H 1S -0.00061 -0.00051 -0.00048 -0.00005 -0.00000 115 2S -0.00399 -0.00383 -0.00034 -0.00025 -0.00008 116 13 C 1S -0.00012 -0.00079 -0.00060 -0.00078 -0.00001 117 2S 0.00396 0.00962 0.00706 0.00913 0.00022 118 2PX 0.00832 -0.00130 0.00408 0.00838 -0.00062 119 2PY 0.00629 0.00634 -0.00136 0.00704 0.00047 120 2PZ 0.01255 0.01085 0.00703 -0.00191 0.00044 121 3S -0.01037 0.00819 0.00599 0.01054 0.00025 122 3PX 0.00132 -0.00323 0.00208 0.00423 -0.00070 123 3PY 0.00575 0.00345 -0.00407 0.00556 0.00100 124 3PZ 0.00802 0.00573 0.00404 -0.00427 0.00013 125 4XX 0.00093 -0.00081 0.00033 0.00046 0.00004 126 4YY 0.00016 0.00030 -0.00050 0.00025 -0.00003 127 4ZZ -0.00051 0.00019 0.00000 -0.00097 -0.00010 128 4XY 0.00034 -0.00001 0.00001 0.00021 -0.00000 129 4XZ 0.00061 -0.00002 0.00019 -0.00002 -0.00001 130 4YZ 0.00018 0.00017 0.00002 -0.00000 -0.00005 131 14 C 1S 0.00002 0.00010 0.00000 -0.00000 -0.00000 132 2S -0.00047 -0.00131 -0.00007 -0.00001 0.00001 133 2PX -0.00108 -0.00185 -0.00014 -0.00053 0.00006 134 2PY -0.00059 -0.00013 -0.00002 -0.00019 0.00001 135 2PZ -0.00057 0.00001 -0.00012 -0.00006 0.00000 136 3S -0.00119 -0.00650 0.00003 0.00033 0.00027 137 3PX -0.00264 -0.00414 -0.00056 -0.00120 0.00052 138 3PY -0.00167 -0.00013 -0.00013 -0.00045 0.00006 139 3PZ -0.00157 0.00014 -0.00028 -0.00050 0.00000 140 4XX 0.00003 0.00017 0.00006 0.00001 0.00000 141 4YY 0.00004 0.00004 0.00000 0.00001 -0.00000 142 4ZZ -0.00004 -0.00005 -0.00003 -0.00000 -0.00000 143 4XY 0.00005 0.00008 -0.00000 0.00003 0.00000 144 4XZ 0.00004 0.00007 0.00002 -0.00002 -0.00000 145 4YZ 0.00001 0.00001 -0.00000 -0.00000 -0.00000 146 15 H 1S 0.00008 0.00006 0.00002 0.00004 -0.00000 147 2S 0.00112 0.00116 0.00027 0.00039 -0.00001 148 16 H 1S -0.00044 -0.00027 -0.00019 -0.00002 0.00000 149 2S -0.00262 -0.00070 -0.00076 0.00019 -0.00002 150 17 H 1S -0.00012 -0.00007 -0.00000 -0.00006 -0.00000 151 2S -0.00094 0.00009 0.00001 -0.00040 -0.00005 152 18 H 1S -0.00299 -0.00091 -0.00134 -0.00366 -0.00001 153 2S -0.01130 -0.00166 -0.00373 -0.01323 -0.00030 154 19 H 1S 0.03082 0.00427 0.00303 0.05439 -0.00102 155 2S 0.00192 0.00437 0.00322 0.05237 -0.00200 156 20 H 1S 0.03138 0.00136 0.05985 0.00028 -0.00101 157 2S -0.00140 0.00179 0.05815 0.00025 -0.00263 11 12 13 14 15 11 4YY 0.00214 12 4ZZ -0.00025 0.00182 13 4XY 0.00000 -0.00000 0.00067 14 4XZ -0.00000 0.00000 0.00000 0.00097 15 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00041 16 2 C 1S 0.00000 0.00000 -0.00001 -0.00001 -0.00000 17 2S -0.00029 -0.00032 0.00025 0.00013 0.00000 18 2PX -0.00073 -0.00071 0.00062 0.00034 0.00000 19 2PY 0.00003 -0.00002 0.00074 0.00003 0.00002 20 2PZ -0.00002 0.00002 0.00003 0.00096 0.00003 21 3S -0.00189 -0.00042 0.00014 0.00004 -0.00000 22 3PX -0.00015 -0.00055 0.00004 0.00005 0.00000 23 3PY -0.00004 -0.00007 0.00028 0.00000 -0.00000 24 3PZ 0.00000 -0.00010 0.00000 0.00094 0.00001 25 4XX -0.00003 -0.00002 -0.00002 -0.00001 0.00000 26 4YY 0.00002 -0.00000 -0.00000 -0.00000 0.00000 27 4ZZ 0.00000 0.00001 -0.00000 -0.00000 0.00000 28 4XY -0.00001 -0.00001 -0.00008 0.00000 0.00000 29 4XZ -0.00001 -0.00001 0.00000 -0.00010 0.00001 30 4YZ -0.00000 -0.00000 -0.00000 -0.00001 0.00000 31 3 C 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 32 2S -0.00000 0.00000 0.00001 0.00000 0.00000 33 2PX -0.00001 0.00000 0.00003 0.00001 0.00000 34 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 35 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 36 3S -0.00004 0.00011 0.00008 -0.00000 -0.00000 37 3PX -0.00003 -0.00004 0.00009 0.00004 0.00000 38 3PY 0.00003 0.00001 -0.00002 0.00000 0.00000 39 3PZ 0.00002 -0.00003 0.00001 0.00013 0.00001 40 4XX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 41 4YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 42 4ZZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 43 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 44 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 45 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 46 4 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 48 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 49 2PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 50 2PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 51 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 52 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 53 3PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 54 3PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 55 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 57 4ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 58 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 59 4XZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 60 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 61 5 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 62 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 63 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 64 2PY 0.00000 0.00000 0.00000 0.00000 -0.00000 65 2PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 66 3S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 67 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 68 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 69 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 70 4XX -0.00000 0.00000 -0.00000 0.00000 0.00000 71 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 72 4ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 73 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 74 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 75 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 76 6 C 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 77 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 78 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 79 2PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 80 2PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 81 3S -0.00000 -0.00000 -0.00000 0.00000 0.00000 82 3PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 83 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 84 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 85 4XX 0.00000 0.00000 -0.00000 0.00000 -0.00000 86 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 87 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 89 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 90 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 91 7 C 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 92 2S 0.00001 -0.00000 0.00001 -0.00000 0.00000 93 2PX 0.00002 -0.00000 0.00003 0.00000 0.00000 94 2PY 0.00001 -0.00000 0.00004 -0.00000 0.00000 95 2PZ 0.00000 0.00000 -0.00000 0.00001 0.00000 96 3S 0.00024 -0.00001 0.00008 -0.00000 -0.00000 97 3PX 0.00010 -0.00007 0.00011 0.00001 0.00000 98 3PY 0.00028 -0.00006 0.00005 -0.00000 0.00000 99 3PZ -0.00000 -0.00001 0.00000 0.00013 0.00001 100 4XX -0.00000 -0.00000 -0.00000 0.00000 0.00000 101 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 102 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 103 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 104 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 105 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 107 2S 0.00009 -0.00000 -0.00006 0.00000 0.00000 108 9 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 109 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 110 10 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 111 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 112 11 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 113 2S -0.00000 0.00000 0.00000 0.00000 0.00000 114 12 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 115 2S 0.00009 0.00000 -0.00002 -0.00000 -0.00000 116 13 C 1S 0.00000 -0.00001 -0.00004 -0.00006 -0.00004 117 2S -0.00014 0.00008 0.00064 0.00103 0.00056 118 2PX 0.00014 0.00050 0.00023 0.00028 0.00076 119 2PY -0.00024 0.00046 -0.00004 0.00096 -0.00005 120 2PZ 0.00019 -0.00061 0.00090 0.00022 0.00014 121 3S 0.00029 -0.00027 0.00036 0.00064 0.00032 122 3PX 0.00064 0.00002 -0.00001 -0.00000 0.00018 123 3PY -0.00149 0.00113 0.00014 0.00030 0.00014 124 3PZ 0.00063 -0.00085 0.00024 -0.00000 -0.00002 125 4XX -0.00003 -0.00008 -0.00001 -0.00001 -0.00001 126 4YY 0.00002 -0.00004 -0.00000 -0.00002 -0.00000 127 4ZZ -0.00003 0.00006 -0.00000 -0.00002 -0.00001 128 4XY 0.00000 -0.00004 0.00000 0.00002 0.00000 129 4XZ -0.00004 -0.00001 0.00002 0.00000 -0.00000 130 4YZ 0.00000 0.00001 0.00001 0.00002 0.00000 131 14 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 132 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 133 2PX -0.00000 -0.00001 0.00001 0.00000 -0.00000 134 2PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 135 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 136 3S -0.00002 -0.00009 -0.00002 -0.00002 -0.00000 137 3PX -0.00002 -0.00020 -0.00000 -0.00002 -0.00001 138 3PY -0.00002 0.00002 0.00000 -0.00000 0.00000 139 3PZ 0.00002 -0.00001 0.00000 -0.00001 -0.00000 140 4XX 0.00000 -0.00000 0.00000 0.00000 0.00000 141 4YY 0.00000 0.00000 -0.00000 -0.00000 0.00000 142 4ZZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 143 4XY -0.00000 0.00000 -0.00000 0.00000 -0.00000 144 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 146 15 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 147 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 148 16 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 149 2S -0.00003 0.00005 -0.00001 0.00000 0.00000 150 17 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 151 2S 0.00003 -0.00001 -0.00000 -0.00001 -0.00000 152 18 H 1S 0.00000 0.00006 -0.00000 0.00000 0.00001 153 2S -0.00004 0.00084 -0.00002 -0.00005 -0.00001 154 19 H 1S -0.00089 0.00609 0.00004 0.00094 0.00072 155 2S -0.00278 0.00634 0.00001 0.00021 0.00015 156 20 H 1S 0.00748 -0.00089 0.00027 -0.00000 0.00005 157 2S 0.00766 -0.00283 0.00005 0.00000 -0.00000 16 17 18 19 20 16 2 C 1S 2.05264 17 2S -0.01418 0.33598 18 2PX 0.00000 0.00000 0.41389 19 2PY 0.00000 0.00000 -0.00000 0.42789 20 2PZ 0.00000 0.00000 0.00000 -0.00000 0.33436 21 3S -0.03066 0.20824 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.03338 -0.00000 -0.00000 23 3PY 0.00000 0.00000 -0.00000 0.03848 -0.00000 24 3PZ 0.00000 0.00000 -0.00000 0.00000 0.11394 25 4XX -0.00133 -0.00269 0.00000 0.00000 0.00000 26 4YY -0.00128 -0.00291 0.00000 0.00000 0.00000 27 4ZZ -0.00090 -0.01070 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 -0.00052 -0.00120 -0.00149 -0.00008 32 2S -0.00051 0.01054 0.01719 0.02276 0.00111 33 2PX -0.00121 0.01872 0.01047 0.03308 0.00316 34 2PY -0.00143 0.02135 0.03166 0.01936 0.00271 35 2PZ -0.00007 0.00116 0.00323 0.00279 0.01745 36 3S -0.00010 0.00971 0.02409 0.02095 0.00121 37 3PX -0.00064 0.00748 -0.00054 0.02092 0.00143 38 3PY -0.00068 0.01215 0.01552 -0.00020 0.00135 39 3PZ -0.00004 0.00051 0.00165 0.00159 0.03052 40 4XX -0.00002 0.00022 -0.00100 0.00095 0.00004 41 4YY -0.00005 0.00060 0.00181 -0.00127 0.00010 42 4ZZ 0.00000 -0.00034 -0.00039 -0.00038 0.00004 43 4XY -0.00018 0.00205 0.00081 0.00141 0.00023 44 4XZ -0.00001 0.00008 0.00003 0.00019 0.00074 45 4YZ -0.00001 0.00012 0.00023 0.00007 0.00081 46 4 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00008 -0.00028 -0.00005 -0.00001 48 2PX 0.00000 -0.00032 -0.00075 -0.00014 -0.00004 49 2PY 0.00000 -0.00001 -0.00002 -0.00000 -0.00000 50 2PZ 0.00000 -0.00001 -0.00004 -0.00001 -0.00002 51 3S -0.00001 -0.00062 -0.00476 0.00045 -0.00015 52 3PX 0.00008 -0.00223 -0.00596 0.00066 -0.00037 53 3PY -0.00004 0.00034 0.00128 -0.00003 0.00003 54 3PZ 0.00000 -0.00005 -0.00039 -0.00000 -0.00075 55 4XX -0.00000 0.00002 0.00008 0.00003 0.00001 56 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 57 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY -0.00000 0.00001 0.00005 0.00000 0.00000 59 4XZ -0.00000 0.00000 0.00002 0.00000 0.00001 60 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 61 5 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00001 -0.00003 -0.00000 -0.00000 63 2PX 0.00000 -0.00002 -0.00007 -0.00001 -0.00001 64 2PY 0.00000 -0.00000 -0.00001 -0.00000 0.00000 65 2PZ 0.00000 -0.00000 -0.00001 0.00000 -0.00002 66 3S 0.00004 -0.00073 -0.00127 -0.00006 -0.00003 67 3PX 0.00008 -0.00101 -0.00015 -0.00010 -0.00025 68 3PY 0.00000 -0.00004 -0.00017 -0.00016 0.00002 69 3PZ 0.00000 -0.00003 -0.00028 0.00002 -0.00124 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 -0.00008 -0.00016 -0.00019 -0.00000 78 2PX 0.00000 -0.00022 -0.00029 -0.00036 -0.00001 79 2PY 0.00000 -0.00012 -0.00014 -0.00020 0.00000 80 2PZ 0.00000 -0.00000 -0.00001 -0.00000 -0.00002 81 3S -0.00000 -0.00077 -0.00348 -0.00076 -0.00008 82 3PX 0.00012 -0.00225 -0.00293 -0.00131 -0.00013 83 3PY -0.00007 0.00005 -0.00006 0.00030 -0.00001 84 3PZ 0.00000 -0.00005 -0.00011 -0.00001 -0.00078 85 4XX 0.00000 -0.00000 0.00000 0.00001 0.00000 86 4YY -0.00000 0.00001 0.00002 0.00003 0.00000 87 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 88 4XY -0.00000 0.00002 0.00005 0.00009 -0.00000 89 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00002 90 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 91 7 C 1S 0.00000 -0.00050 -0.00027 -0.00244 -0.00000 92 2S -0.00050 0.01035 0.00362 0.03688 0.00001 93 2PX -0.00028 0.00451 -0.00054 0.01342 -0.00005 94 2PY -0.00238 0.03621 0.01263 0.07732 0.00009 95 2PZ -0.00000 0.00000 -0.00005 0.00009 0.02015 96 3S -0.00001 0.00934 0.00645 0.03980 -0.00004 97 3PX -0.00009 0.00041 0.00726 0.00830 -0.00002 98 3PY -0.00099 0.01736 0.00636 0.01559 0.00003 99 3PZ -0.00000 0.00001 -0.00002 0.00004 0.03199 100 4XX 0.00001 -0.00053 0.00004 -0.00123 -0.00000 101 4YY -0.00021 0.00282 0.00154 0.00072 0.00000 102 4ZZ 0.00000 -0.00035 -0.00011 -0.00075 0.00000 103 4XY -0.00007 0.00079 0.00058 0.00162 0.00000 104 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00021 105 4YZ -0.00000 0.00000 0.00000 0.00000 0.00177 106 8 H 1S 0.00000 -0.00019 -0.00001 -0.00075 -0.00001 107 2S 0.00022 -0.00333 -0.00049 -0.01045 -0.00013 108 9 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 109 2S -0.00000 0.00012 0.00013 0.00035 -0.00000 110 10 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 111 2S 0.00000 -0.00000 0.00001 0.00000 0.00000 112 11 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 113 2S -0.00000 0.00012 0.00032 0.00015 0.00002 114 12 H 1S 0.00000 -0.00019 -0.00006 -0.00069 -0.00001 115 2S 0.00022 -0.00327 -0.00026 -0.01097 -0.00010 116 13 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 -0.00004 -0.00015 -0.00000 -0.00002 118 2PX 0.00000 -0.00016 -0.00047 -0.00001 -0.00001 119 2PY -0.00000 -0.00000 -0.00002 -0.00000 -0.00000 120 2PZ 0.00000 -0.00001 -0.00006 -0.00000 -0.00000 121 3S 0.00005 -0.00096 -0.00325 -0.00024 -0.00106 122 3PX 0.00018 -0.00206 -0.00131 0.00031 0.00078 123 3PY -0.00001 0.00009 0.00017 0.00001 -0.00011 124 3PZ 0.00001 -0.00008 -0.00073 -0.00017 -0.00009 125 4XX -0.00000 0.00002 0.00011 -0.00000 0.00000 126 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 127 4ZZ 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 128 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 129 4XZ -0.00000 0.00000 0.00001 -0.00000 -0.00000 130 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 131 14 C 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 132 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 133 2PX -0.00000 0.00000 0.00000 -0.00000 0.00000 134 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 135 2PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 136 3S -0.00000 0.00001 0.00009 0.00000 0.00000 137 3PX -0.00000 0.00004 0.00019 0.00001 0.00001 138 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 139 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 140 4XX 0.00000 -0.00000 -0.00000 0.00000 0.00000 141 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 142 4ZZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 143 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 144 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 145 4YZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 146 15 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 147 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 148 16 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 149 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 150 17 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 151 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 152 18 H 1S 0.00000 -0.00000 -0.00002 -0.00000 -0.00001 153 2S 0.00001 -0.00033 -0.00066 -0.00006 0.00039 154 19 H 1S 0.00000 -0.00015 -0.00036 0.00000 -0.00012 155 2S 0.00015 -0.00266 -0.00448 0.00003 -0.00262 156 20 H 1S 0.00000 -0.00014 -0.00030 -0.00025 -0.00000 157 2S 0.00018 -0.00273 -0.00451 -0.00442 0.00000 21 22 23 24 25 21 3S 0.25437 22 3PX 0.00000 0.02608 23 3PY 0.00000 -0.00000 0.02479 24 3PZ 0.00000 -0.00000 0.00000 0.12431 25 4XX -0.00077 0.00000 0.00000 0.00000 0.00134 26 4YY -0.00322 0.00000 0.00000 0.00000 -0.00021 27 4ZZ -0.00625 0.00000 0.00000 0.00000 0.00006 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 0.00031 -0.00004 -0.00056 -0.00002 -0.00002 32 2S 0.00738 0.00869 0.00686 0.00054 0.00029 33 2PX 0.00891 0.00103 0.00848 0.00103 -0.00107 34 2PY 0.02023 0.00638 -0.00010 0.00083 0.00119 35 2PZ 0.00050 0.00095 0.00040 0.02714 0.00006 36 3S -0.00451 0.00767 0.00372 0.00029 -0.00024 37 3PX -0.00092 0.00262 0.00583 0.00094 -0.00053 38 3PY 0.00820 0.00187 -0.00005 0.00066 -0.00005 39 3PZ -0.00049 0.00105 0.00023 0.04799 0.00013 40 4XX 0.00084 -0.00016 0.00009 0.00012 0.00005 41 4YY -0.00022 -0.00047 -0.00029 0.00004 -0.00024 42 4ZZ -0.00045 -0.00011 -0.00014 -0.00011 0.00000 43 4XY 0.00089 -0.00000 0.00001 0.00004 -0.00002 44 4XZ 0.00002 -0.00001 0.00001 0.00053 0.00000 45 4YZ 0.00003 0.00003 0.00000 0.00055 -0.00000 46 4 C 1S -0.00004 -0.00019 0.00004 -0.00000 -0.00000 47 2S -0.00033 0.00112 -0.00065 -0.00000 0.00003 48 2PX -0.00192 0.00429 -0.00125 -0.00003 0.00017 49 2PY -0.00110 -0.00106 0.00079 -0.00008 -0.00001 50 2PZ -0.00000 -0.00028 -0.00009 -0.00057 0.00001 51 3S 0.00096 -0.00015 -0.00054 -0.00013 0.00033 52 3PX -0.00456 0.00293 -0.00006 -0.00033 0.00065 53 3PY -0.00063 -0.00071 0.00129 -0.00008 -0.00008 54 3PZ 0.00028 -0.00098 -0.00008 -0.00338 0.00006 55 4XX 0.00023 0.00027 0.00007 0.00009 0.00000 56 4YY -0.00008 -0.00018 0.00002 -0.00002 -0.00000 57 4ZZ 0.00001 -0.00002 0.00001 -0.00002 -0.00000 58 4XY 0.00009 0.00005 -0.00005 0.00000 -0.00000 59 4XZ 0.00001 0.00005 0.00000 0.00016 0.00000 60 4YZ 0.00000 -0.00001 -0.00000 -0.00004 -0.00000 61 5 C 1S 0.00005 0.00011 0.00001 0.00000 0.00000 62 2S -0.00091 -0.00134 -0.00007 -0.00003 -0.00000 63 2PX -0.00172 -0.00015 -0.00024 -0.00024 -0.00000 64 2PY -0.00010 -0.00026 -0.00046 0.00001 -0.00000 65 2PZ 0.00000 -0.00032 -0.00002 -0.00108 0.00000 66 3S -0.00582 -0.00373 -0.00022 -0.00007 -0.00001 67 3PX -0.00474 0.00185 -0.00020 -0.00070 0.00006 68 3PY -0.00021 -0.00031 -0.00117 0.00006 -0.00002 69 3PZ 0.00013 -0.00105 -0.00003 -0.00615 0.00000 70 4XX 0.00002 0.00018 -0.00001 0.00001 0.00000 71 4YY 0.00002 -0.00004 0.00001 -0.00000 -0.00000 72 4ZZ 0.00002 0.00002 -0.00000 -0.00000 -0.00000 73 4XY -0.00000 0.00000 -0.00003 -0.00000 0.00000 74 4XZ -0.00000 0.00001 -0.00000 0.00000 0.00000 75 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 76 6 C 1S -0.00003 -0.00018 0.00000 -0.00000 -0.00000 77 2S -0.00043 0.00162 -0.00079 0.00004 0.00001 78 2PX -0.00064 0.00268 0.00158 0.00004 0.00005 79 2PY -0.00270 0.00136 -0.00240 0.00007 0.00002 80 2PZ -0.00001 0.00008 0.00002 -0.00061 0.00000 81 3S 0.00026 0.00107 -0.00123 -0.00005 0.00016 82 3PX -0.00369 0.00120 0.00231 -0.00012 0.00031 83 3PY -0.00205 0.00092 -0.00096 0.00003 -0.00001 84 3PZ -0.00016 0.00002 -0.00004 -0.00318 0.00000 85 4XX -0.00002 0.00006 -0.00006 0.00003 0.00000 86 4YY 0.00010 -0.00022 0.00020 -0.00000 -0.00000 87 4ZZ -0.00000 -0.00000 -0.00002 -0.00001 -0.00000 88 4XY 0.00019 0.00008 0.00014 -0.00001 -0.00000 89 4XZ -0.00001 0.00001 -0.00000 0.00018 0.00000 90 4YZ 0.00000 0.00000 0.00000 -0.00002 0.00000 91 7 C 1S 0.00023 0.00015 -0.00065 -0.00000 0.00001 92 2S 0.00818 0.00210 0.01301 0.00000 -0.00052 93 2PX 0.00136 0.00985 0.00118 -0.00002 0.00004 94 2PY 0.03069 0.00009 0.00579 0.00006 -0.00108 95 2PZ 0.00006 -0.00005 0.00003 0.02895 0.00000 96 3S -0.00314 0.00116 0.00772 -0.00005 -0.00200 97 3PX -0.00176 0.01050 0.00150 -0.00002 -0.00023 98 3PY 0.00604 -0.00053 0.00018 0.00004 -0.00141 99 3PZ 0.00008 -0.00006 0.00002 0.04878 -0.00000 100 4XX -0.00113 -0.00000 -0.00072 -0.00001 0.00002 101 4YY 0.00237 -0.00019 0.00014 0.00001 -0.00010 102 4ZZ -0.00054 -0.00007 -0.00038 -0.00000 0.00001 103 4XY 0.00047 0.00011 0.00010 -0.00000 -0.00001 104 4XZ 0.00000 0.00000 0.00000 0.00014 0.00000 105 4YZ -0.00000 -0.00000 -0.00000 0.00106 -0.00000 106 8 H 1S -0.00384 0.00028 -0.00224 0.00003 -0.00001 107 2S -0.01656 0.00047 -0.01020 -0.00002 -0.00015 108 9 H 1S 0.00009 -0.00007 0.00022 -0.00000 -0.00000 109 2S 0.00120 -0.00065 0.00217 -0.00002 -0.00001 110 10 H 1S 0.00001 0.00001 0.00000 0.00000 0.00000 111 2S 0.00024 0.00042 0.00002 0.00001 0.00000 112 11 H 1S 0.00010 0.00002 0.00014 0.00000 -0.00000 113 2S 0.00120 0.00024 0.00137 0.00006 -0.00002 114 12 H 1S -0.00395 -0.00079 -0.00045 -0.00005 -0.00001 115 2S -0.01512 -0.00216 -0.00551 -0.00016 -0.00047 116 13 C 1S 0.00004 0.00006 0.00001 0.00003 -0.00000 117 2S -0.00076 -0.00095 -0.00022 -0.00051 0.00001 118 2PX -0.00290 -0.00062 0.00039 -0.00035 0.00005 119 2PY 0.00060 -0.00016 -0.00041 -0.00008 0.00000 120 2PZ -0.00044 0.00032 -0.00018 0.00002 0.00002 121 3S -0.00568 -0.00486 -0.00058 -0.00427 0.00009 122 3PX -0.00813 0.00107 0.00031 0.00133 0.00019 123 3PY 0.00306 -0.00051 -0.00185 -0.00029 -0.00001 124 3PZ -0.00198 0.00036 -0.00033 0.00016 0.00009 125 4XX 0.00028 0.00025 -0.00001 0.00007 0.00000 126 4YY -0.00005 -0.00001 0.00001 -0.00000 -0.00000 127 4ZZ -0.00004 -0.00009 0.00001 -0.00000 -0.00000 128 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 129 4XZ -0.00001 0.00001 0.00000 0.00000 0.00000 130 4YZ -0.00001 -0.00000 -0.00000 0.00000 0.00000 131 14 C 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 132 2S 0.00001 0.00002 -0.00000 0.00000 -0.00000 133 2PX 0.00005 0.00003 -0.00002 0.00000 -0.00000 134 2PY 0.00000 0.00001 0.00000 -0.00000 -0.00000 135 2PZ 0.00000 0.00001 -0.00000 0.00000 -0.00000 136 3S 0.00031 0.00044 -0.00002 0.00006 -0.00000 137 3PX 0.00059 0.00054 -0.00013 0.00012 -0.00000 138 3PY 0.00003 0.00007 0.00000 0.00000 -0.00000 139 3PZ -0.00000 0.00002 -0.00001 0.00006 -0.00000 140 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 141 4YY -0.00000 -0.00000 0.00000 -0.00000 0.00000 142 4ZZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 143 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 144 4XZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 145 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 146 15 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 147 2S -0.00002 -0.00007 0.00002 -0.00000 0.00000 148 16 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 149 2S 0.00009 0.00005 -0.00000 -0.00001 -0.00000 150 17 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 151 2S -0.00008 0.00006 -0.00000 -0.00000 0.00000 152 18 H 1S -0.00020 -0.00038 0.00016 -0.00015 -0.00000 153 2S -0.00069 -0.00067 0.00058 0.00191 -0.00007 154 19 H 1S -0.00116 -0.00062 -0.00002 -0.00217 0.00001 155 2S -0.00164 -0.00170 -0.00002 -0.00799 -0.00019 156 20 H 1S -0.00409 0.00005 -0.00131 0.00002 0.00000 157 2S -0.01731 -0.00003 -0.00261 0.00016 -0.00030 26 27 28 29 30 26 4YY 0.00120 27 4ZZ 0.00007 0.00089 28 4XY 0.00000 -0.00000 0.00138 29 4XZ -0.00000 0.00000 -0.00000 0.00064 30 4YZ 0.00000 -0.00000 0.00000 -0.00000 0.00071 31 3 C 1S -0.00004 0.00000 -0.00019 -0.00001 -0.00001 32 2S 0.00043 -0.00032 0.00217 0.00009 0.00012 33 2PX 0.00114 -0.00027 0.00081 0.00002 0.00020 34 2PY -0.00131 -0.00041 0.00129 0.00020 0.00006 35 2PZ 0.00008 0.00004 0.00024 0.00083 0.00086 36 3S 0.00107 -0.00055 0.00106 0.00002 0.00005 37 3PX 0.00026 -0.00005 -0.00004 -0.00000 0.00004 38 3PY -0.00046 -0.00033 0.00001 0.00002 0.00000 39 3PZ 0.00009 -0.00013 0.00005 0.00063 0.00069 40 4XX -0.00016 -0.00000 -0.00002 0.00000 -0.00001 41 4YY 0.00010 -0.00001 -0.00003 -0.00001 0.00000 42 4ZZ -0.00002 0.00001 -0.00005 0.00000 -0.00000 43 4XY -0.00007 -0.00004 0.00004 0.00001 0.00000 44 4XZ -0.00001 0.00000 0.00000 -0.00000 -0.00005 45 4YZ 0.00000 0.00000 0.00001 0.00004 -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 -0.00002 0.00000 0.00002 0.00002 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 -0.00015 0.00001 0.00001 0.00001 -0.00000 52 3PX -0.00024 0.00005 -0.00001 0.00003 0.00001 53 3PY 0.00000 -0.00000 -0.00002 0.00000 -0.00000 54 3PZ 0.00001 -0.00002 0.00002 0.00006 0.00006 55 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 57 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 58 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 59 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 61 5 C 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 63 2PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 64 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 65 2PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 66 3S 0.00002 0.00001 -0.00000 -0.00000 -0.00000 67 3PX 0.00000 0.00001 -0.00001 -0.00000 -0.00000 68 3PY 0.00001 -0.00000 -0.00002 -0.00000 -0.00000 69 3PZ -0.00000 0.00000 -0.00000 -0.00002 -0.00000 70 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 72 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY -0.00000 0.00000 -0.00000 0.00000 -0.00000 74 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 76 6 C 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 77 2S -0.00000 0.00000 0.00002 0.00000 0.00000 78 2PX -0.00000 -0.00000 0.00009 0.00000 0.00000 79 2PY 0.00000 0.00000 0.00003 0.00000 -0.00000 80 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00002 81 3S -0.00012 0.00001 0.00015 -0.00000 0.00000 82 3PX -0.00011 0.00001 0.00013 0.00000 0.00001 83 3PY 0.00002 -0.00001 0.00007 -0.00000 -0.00000 84 3PZ -0.00001 0.00001 0.00001 -0.00001 0.00019 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 0.00001 -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 -0.00021 0.00000 -0.00007 -0.00000 -0.00000 92 2S 0.00282 -0.00035 0.00090 0.00000 -0.00000 93 2PX 0.00121 -0.00006 0.00055 -0.00000 0.00000 94 2PY 0.00038 -0.00074 0.00178 0.00000 -0.00000 95 2PZ 0.00000 0.00000 0.00000 0.00026 0.00182 96 3S 0.00395 -0.00067 0.00034 0.00000 0.00000 97 3PX 0.00052 -0.00001 0.00006 -0.00000 -0.00000 98 3PY 0.00062 -0.00058 0.00011 0.00000 0.00000 99 3PZ 0.00001 -0.00000 -0.00000 0.00016 0.00125 100 4XX -0.00005 0.00001 -0.00000 0.00000 0.00000 101 4YY 0.00007 -0.00005 -0.00011 0.00000 0.00000 102 4ZZ -0.00005 0.00002 -0.00002 0.00000 0.00000 103 4XY -0.00011 -0.00001 -0.00007 0.00000 -0.00000 104 4XZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00003 105 4YZ 0.00000 -0.00000 -0.00000 0.00003 -0.00002 106 8 H 1S 0.00009 0.00000 0.00002 -0.00000 0.00000 107 2S 0.00047 0.00009 0.00011 -0.00000 0.00001 108 9 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 109 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 110 10 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 111 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 112 11 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 113 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 114 12 H 1S 0.00012 0.00000 0.00000 -0.00000 0.00000 115 2S 0.00104 0.00006 -0.00009 -0.00001 -0.00000 116 13 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 117 2S -0.00000 -0.00000 0.00000 0.00001 -0.00000 118 2PX -0.00000 -0.00000 0.00001 0.00002 -0.00000 119 2PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 120 2PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 121 3S 0.00001 -0.00002 0.00003 0.00008 -0.00000 122 3PX -0.00002 -0.00002 0.00003 0.00007 0.00001 123 3PY -0.00000 -0.00000 -0.00000 0.00000 0.00001 124 3PZ 0.00000 -0.00001 0.00002 -0.00002 -0.00000 125 4XX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 126 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 127 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 128 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 129 4XZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 130 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 131 14 C 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 132 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 133 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 134 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 135 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 136 3S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 137 3PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 138 3PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 139 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 140 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 141 4YY -0.00000 -0.00000 -0.00000 0.00000 0.00000 142 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 143 4XY -0.00000 -0.00000 -0.00000 0.00000 0.00000 144 4XZ -0.00000 0.00000 0.00000 -0.00000 0.00000 145 4YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 146 15 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 147 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 148 16 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 149 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 150 17 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 151 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 152 18 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 153 2S 0.00000 0.00004 0.00000 -0.00004 0.00000 154 19 H 1S -0.00000 0.00002 -0.00000 0.00008 0.00000 155 2S -0.00002 0.00031 -0.00001 0.00033 -0.00000 156 20 H 1S 0.00003 -0.00000 0.00010 -0.00000 0.00000 157 2S 0.00055 0.00001 0.00034 -0.00001 0.00000 31 32 33 34 35 31 3 C 1S 2.05296 32 2S -0.01386 0.32838 33 2PX 0.00000 0.00000 0.42009 34 2PY 0.00000 0.00000 0.00000 0.41763 35 2PZ 0.00000 0.00000 0.00000 -0.00000 0.33666 36 3S -0.03231 0.21768 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.07901 -0.00000 -0.00000 38 3PY 0.00000 0.00000 -0.00000 0.07652 -0.00000 39 3PZ 0.00000 0.00000 -0.00000 0.00000 0.13178 40 4XX -0.00133 -0.00248 0.00000 0.00000 0.00000 41 4YY -0.00160 0.00136 0.00000 0.00000 0.00000 42 4ZZ -0.00090 -0.01106 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 -0.00053 -0.00258 -0.00013 -0.00006 47 2S -0.00053 0.01085 0.03911 0.00181 0.00091 48 2PX -0.00258 0.03954 0.08331 0.00587 0.00473 49 2PY -0.00012 0.00205 0.00619 0.00019 -0.00004 50 2PZ -0.00006 0.00091 0.00473 -0.00006 0.01797 51 3S 0.00037 0.00745 0.03271 0.00285 0.00071 52 3PX -0.00110 0.01965 0.01353 0.00130 0.00218 53 3PY -0.00017 0.00060 0.00321 0.00384 -0.00006 54 3PZ -0.00002 0.00045 0.00209 -0.00009 0.02848 55 4XX -0.00023 0.00311 0.00130 0.00071 0.00031 56 4YY 0.00001 -0.00060 -0.00145 0.00006 -0.00004 57 4ZZ 0.00000 -0.00033 -0.00071 -0.00005 0.00003 58 4XY -0.00003 0.00036 0.00066 0.00132 0.00003 59 4XZ -0.00001 0.00014 0.00030 0.00004 0.00157 60 4YZ -0.00000 0.00001 0.00004 0.00003 0.00009 61 5 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00009 -0.00024 -0.00014 -0.00000 63 2PX 0.00000 -0.00017 -0.00030 -0.00013 -0.00001 64 2PY 0.00000 -0.00021 -0.00036 -0.00020 -0.00000 65 2PZ 0.00000 -0.00000 -0.00001 0.00000 -0.00004 66 3S -0.00005 -0.00032 -0.00103 -0.00252 0.00000 67 3PX -0.00012 0.00046 0.00096 0.00010 -0.00003 68 3PY 0.00007 -0.00172 -0.00263 -0.00188 -0.00000 69 3PZ -0.00000 0.00003 -0.00001 0.00005 -0.00102 70 4XX -0.00000 0.00002 0.00005 0.00002 0.00000 71 4YY 0.00000 -0.00000 -0.00001 0.00000 -0.00000 72 4ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 73 4XY -0.00000 0.00002 0.00010 0.00003 0.00000 74 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00002 76 6 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00001 -0.00000 -0.00003 -0.00000 78 2PX 0.00000 -0.00000 0.00000 -0.00003 0.00000 79 2PY 0.00000 -0.00003 -0.00003 -0.00008 -0.00000 80 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00004 81 3S 0.00006 -0.00095 -0.00012 -0.00169 -0.00000 82 3PX 0.00001 -0.00014 -0.00013 -0.00050 0.00001 83 3PY 0.00010 -0.00126 -0.00042 -0.00058 -0.00001 84 3PZ 0.00000 -0.00000 0.00001 -0.00001 -0.00157 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 -0.00010 -0.00003 -0.00035 -0.00001 93 2PX -0.00000 0.00000 0.00000 0.00001 -0.00000 94 2PY 0.00000 -0.00040 -0.00010 -0.00092 -0.00002 95 2PZ 0.00000 -0.00000 -0.00000 -0.00001 -0.00002 96 3S -0.00001 -0.00100 0.00005 -0.00474 -0.00008 97 3PX -0.00005 0.00053 -0.00077 0.00170 0.00002 98 3PY 0.00005 -0.00239 0.00029 -0.00552 -0.00011 99 3PZ -0.00000 0.00003 0.00001 0.00007 -0.00067 100 4XX 0.00000 -0.00000 0.00000 -0.00001 -0.00000 101 4YY -0.00000 0.00003 0.00002 0.00016 0.00001 102 4ZZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 103 4XY -0.00000 0.00001 -0.00001 0.00004 0.00000 104 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 105 4YZ -0.00000 0.00000 0.00000 0.00001 0.00002 106 8 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 107 2S -0.00000 0.00015 0.00013 0.00045 0.00001 108 9 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 109 2S 0.00000 -0.00000 0.00000 0.00001 0.00000 110 10 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 111 2S -0.00000 0.00014 0.00041 0.00010 0.00001 112 11 H 1S 0.00000 -0.00020 -0.00067 -0.00004 -0.00002 113 2S 0.00023 -0.00318 -0.00927 -0.00066 -0.00032 114 12 H 1S -0.00198 0.03123 0.00937 0.08966 0.00004 115 2S -0.00124 0.01177 0.00627 0.05817 0.00002 116 13 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 117 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 118 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 119 2PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 120 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 121 3S -0.00000 0.00002 0.00006 0.00001 -0.00003 122 3PX 0.00000 -0.00000 -0.00008 -0.00002 -0.00002 123 3PY -0.00000 0.00001 0.00001 -0.00001 -0.00001 124 3PZ -0.00000 0.00001 0.00004 0.00001 0.00002 125 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 126 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 127 4ZZ -0.00000 0.00000 0.00000 0.00000 -0.00000 128 4XY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 129 4XZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 130 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 132 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 133 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 134 2PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 135 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 136 3S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 137 3PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 138 3PY -0.00000 0.00000 0.00000 -0.00000 0.00000 139 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 140 4XX 0.00000 0.00000 0.00000 0.00000 -0.00000 141 4YY 0.00000 0.00000 0.00000 0.00000 -0.00000 142 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 143 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 147 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 148 16 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 149 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 150 17 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 151 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 152 18 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 153 2S -0.00000 0.00001 0.00004 0.00001 0.00002 154 19 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 155 2S -0.00000 0.00014 0.00044 0.00006 -0.00028 156 20 H 1S 0.00000 -0.00001 -0.00005 0.00000 -0.00000 157 2S 0.00002 -0.00060 -0.00104 0.00018 -0.00001 36 37 38 39 40 36 3S 0.26697 37 3PX 0.00000 0.06055 38 3PY 0.00000 -0.00000 0.05521 39 3PZ 0.00000 -0.00000 0.00000 0.16265 40 4XX -0.00327 0.00000 0.00000 0.00000 0.00112 41 4YY 0.00320 0.00000 0.00000 0.00000 -0.00026 42 4ZZ -0.00731 0.00000 0.00000 0.00000 0.00009 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 0.00055 -0.00133 0.00008 -0.00004 -0.00023 47 2S 0.00545 0.01819 0.00101 0.00042 0.00307 48 2PX 0.02522 0.01334 -0.00094 0.00230 0.00091 49 2PY -0.00112 0.00375 0.00784 0.00000 0.00052 50 2PZ 0.00080 0.00209 -0.00010 0.02866 0.00029 51 3S -0.01333 0.01120 0.00147 0.00028 0.00374 52 3PX 0.00710 0.00095 -0.00117 0.00181 0.00044 53 3PY -0.00208 0.00211 0.00912 -0.00008 0.00030 54 3PZ 0.00041 0.00168 -0.00012 0.04660 0.00022 55 4XX 0.00285 0.00059 0.00004 0.00025 0.00002 56 4YY -0.00141 -0.00150 -0.00005 -0.00006 -0.00003 57 4ZZ -0.00042 -0.00039 -0.00005 -0.00009 -0.00006 58 4XY 0.00021 0.00005 0.00045 0.00000 -0.00006 59 4XZ 0.00004 0.00003 -0.00000 0.00118 0.00001 60 4YZ 0.00001 0.00001 0.00001 0.00009 -0.00001 61 5 C 1S -0.00004 0.00008 -0.00012 0.00000 0.00000 62 2S -0.00038 -0.00201 0.00052 -0.00004 -0.00000 63 2PX -0.00314 -0.00293 0.00029 -0.00014 0.00000 64 2PY 0.00054 -0.00240 0.00138 -0.00004 0.00001 65 2PZ -0.00007 -0.00009 0.00000 -0.00118 0.00000 66 3S 0.00165 -0.00350 -0.00198 -0.00005 -0.00006 67 3PX -0.00231 -0.00079 -0.00004 -0.00022 0.00003 68 3PY -0.00072 -0.00316 -0.00011 0.00000 -0.00005 69 3PZ -0.00009 -0.00013 0.00005 -0.00552 0.00003 70 4XX 0.00014 0.00034 -0.00013 0.00001 -0.00000 71 4YY -0.00007 -0.00011 0.00008 -0.00002 0.00000 72 4ZZ -0.00001 -0.00000 -0.00002 0.00001 -0.00000 73 4XY 0.00018 0.00014 0.00007 0.00001 0.00000 74 4XZ 0.00000 0.00000 -0.00000 -0.00001 0.00000 75 4YZ 0.00000 0.00002 -0.00000 0.00019 0.00000 76 6 C 1S 0.00005 0.00002 0.00011 -0.00000 -0.00000 77 2S -0.00096 -0.00027 -0.00158 0.00000 0.00000 78 2PX -0.00004 -0.00004 -0.00050 0.00001 0.00000 79 2PY -0.00196 -0.00042 -0.00147 -0.00001 -0.00000 80 2PZ 0.00000 0.00001 -0.00001 -0.00161 -0.00000 81 3S -0.00678 -0.00078 -0.00621 0.00000 0.00002 82 3PX -0.00037 -0.00028 -0.00105 0.00003 0.00001 83 3PY -0.00537 -0.00058 -0.00085 -0.00004 -0.00001 84 3PZ 0.00001 0.00003 -0.00003 -0.00819 -0.00000 85 4XX 0.00002 0.00001 -0.00003 -0.00000 0.00000 86 4YY 0.00002 -0.00002 0.00016 0.00000 -0.00000 87 4ZZ 0.00002 0.00000 0.00001 0.00000 -0.00000 88 4XY -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 89 4XZ -0.00000 -0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 91 7 C 1S -0.00002 0.00005 -0.00008 0.00000 0.00000 92 2S -0.00091 -0.00069 -0.00081 -0.00006 -0.00000 93 2PX -0.00042 -0.00008 -0.00086 -0.00001 -0.00000 94 2PY -0.00408 -0.00244 -0.00041 -0.00024 -0.00002 95 2PZ -0.00005 -0.00004 -0.00006 -0.00056 0.00000 96 3S -0.00093 -0.00141 -0.00373 -0.00031 -0.00018 97 3PX 0.00090 -0.00126 0.00095 -0.00001 -0.00001 98 3PY -0.00660 -0.00187 -0.00065 -0.00031 -0.00037 99 3PZ 0.00006 -0.00006 0.00012 -0.00298 0.00002 100 4XX -0.00011 0.00002 -0.00024 -0.00002 0.00000 101 4YY 0.00038 0.00003 0.00068 0.00003 -0.00000 102 4ZZ 0.00001 0.00001 -0.00003 0.00000 0.00000 103 4XY 0.00007 -0.00009 0.00009 0.00001 0.00000 104 4XZ -0.00000 0.00000 -0.00000 -0.00004 0.00000 105 4YZ 0.00001 0.00001 0.00002 0.00023 0.00000 106 8 H 1S 0.00011 0.00010 0.00016 0.00001 0.00000 107 2S 0.00179 0.00113 0.00240 0.00010 0.00000 108 9 H 1S 0.00001 0.00000 0.00002 0.00000 -0.00000 109 2S 0.00027 0.00008 0.00050 0.00000 -0.00000 110 10 H 1S 0.00009 0.00025 -0.00002 0.00001 -0.00000 111 2S 0.00122 0.00266 -0.00023 0.00006 0.00000 112 11 H 1S -0.00363 -0.00175 0.00001 -0.00006 0.00007 113 2S -0.01113 -0.00868 -0.00052 -0.00029 0.00022 114 12 H 1S 0.03857 0.00364 0.03916 0.00002 -0.00121 115 2S 0.02222 0.00278 0.03293 0.00001 -0.00278 116 13 C 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 117 2S 0.00002 -0.00003 0.00001 -0.00001 -0.00000 118 2PX 0.00014 -0.00004 0.00010 -0.00004 -0.00000 119 2PY 0.00002 -0.00004 -0.00001 -0.00000 -0.00000 120 2PZ 0.00001 -0.00001 0.00001 0.00001 -0.00000 121 3S 0.00046 0.00004 0.00016 -0.00034 -0.00001 122 3PX 0.00055 -0.00063 0.00034 -0.00019 -0.00000 123 3PY 0.00007 -0.00024 -0.00007 -0.00000 -0.00000 124 3PZ 0.00009 0.00011 0.00007 0.00022 -0.00000 125 4XX -0.00001 0.00000 -0.00001 0.00000 0.00000 126 4YY -0.00000 0.00000 0.00000 -0.00000 -0.00000 127 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 128 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 129 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 130 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 131 14 C 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 132 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 133 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 134 2PY 0.00000 -0.00000 0.00000 0.00000 0.00000 135 2PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 136 3S -0.00002 -0.00001 -0.00001 0.00000 0.00000 137 3PX -0.00005 -0.00001 -0.00002 0.00000 0.00000 138 3PY 0.00000 -0.00000 0.00000 0.00000 0.00000 139 3PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 140 4XX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 141 4YY 0.00000 0.00000 0.00000 -0.00000 -0.00000 142 4ZZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 143 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 144 4XZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 146 15 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 147 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 148 16 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 149 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 150 17 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 151 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 152 18 H 1S 0.00001 0.00001 0.00001 -0.00000 -0.00000 153 2S 0.00025 0.00032 0.00012 0.00020 -0.00000 154 19 H 1S 0.00014 -0.00001 0.00004 -0.00023 -0.00000 155 2S 0.00178 0.00083 0.00028 -0.00223 -0.00002 156 20 H 1S -0.00062 0.00025 -0.00018 0.00007 0.00000 157 2S -0.00235 -0.00044 -0.00047 0.00024 -0.00007 41 42 43 44 45 41 4YY 0.00169 42 4ZZ -0.00003 0.00095 43 4XY 0.00000 -0.00000 0.00129 44 4XZ -0.00000 0.00000 -0.00000 0.00065 45 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00030 46 4 C 1S 0.00001 0.00000 -0.00003 -0.00001 -0.00000 47 2S -0.00058 -0.00033 0.00037 0.00014 0.00001 48 2PX -0.00135 -0.00069 0.00092 0.00026 0.00005 49 2PY 0.00006 -0.00001 0.00130 0.00002 0.00003 50 2PZ -0.00003 0.00003 0.00004 0.00156 0.00006 51 3S -0.00223 -0.00042 0.00008 0.00006 0.00001 52 3PX -0.00163 -0.00035 0.00006 0.00003 0.00001 53 3PY -0.00013 -0.00000 0.00029 -0.00000 0.00001 54 3PZ -0.00004 -0.00009 0.00000 0.00116 0.00003 55 4XX -0.00005 -0.00006 -0.00006 0.00001 0.00000 56 4YY 0.00003 0.00001 -0.00000 -0.00000 0.00000 57 4ZZ 0.00001 0.00001 -0.00001 0.00000 0.00000 58 4XY -0.00001 -0.00001 -0.00020 -0.00001 -0.00000 59 4XZ -0.00001 0.00000 -0.00000 -0.00003 0.00002 60 4YZ -0.00000 -0.00000 -0.00001 -0.00002 -0.00000 61 5 C 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 62 2S 0.00001 -0.00000 0.00003 -0.00000 0.00000 63 2PX 0.00002 0.00000 0.00005 0.00000 0.00000 64 2PY 0.00003 -0.00000 0.00009 -0.00000 0.00000 65 2PZ 0.00000 0.00000 -0.00000 0.00002 -0.00000 66 3S 0.00014 -0.00001 0.00019 -0.00000 0.00000 67 3PX -0.00003 0.00000 0.00009 0.00001 0.00000 68 3PY 0.00026 -0.00002 0.00014 -0.00001 0.00000 69 3PZ -0.00000 -0.00001 -0.00001 0.00021 -0.00003 70 4XX -0.00000 -0.00000 -0.00000 0.00000 0.00000 71 4YY 0.00000 -0.00000 0.00000 0.00000 -0.00000 72 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 73 4XY -0.00000 -0.00000 0.00001 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 0.00000 -0.00000 -0.00000 82 3PX -0.00004 0.00000 -0.00001 0.00000 -0.00000 83 3PY 0.00007 0.00002 -0.00001 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 0.00004 0.00000 -0.00000 -0.00000 0.00000 93 2PX -0.00001 0.00000 -0.00000 -0.00000 0.00000 94 2PY 0.00024 -0.00000 0.00000 -0.00000 0.00001 95 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 96 3S 0.00054 -0.00000 -0.00000 -0.00000 0.00000 97 3PX -0.00005 -0.00000 -0.00007 -0.00000 0.00000 98 3PY 0.00105 0.00001 -0.00002 -0.00000 0.00001 99 3PZ 0.00002 -0.00002 0.00001 0.00005 0.00013 100 4XX -0.00000 0.00000 0.00000 0.00000 -0.00000 101 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 102 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 103 4XY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 104 4XZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 105 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 8 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 107 2S -0.00002 -0.00000 0.00001 0.00000 0.00000 108 9 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 109 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 110 10 H 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 111 2S -0.00001 -0.00000 -0.00001 0.00000 -0.00000 112 11 H 1S -0.00000 0.00000 0.00004 0.00001 0.00000 113 2S -0.00006 0.00010 0.00022 0.00001 0.00001 114 12 H 1S 0.00603 -0.00073 0.00160 0.00000 0.00000 115 2S 0.00596 -0.00087 0.00035 0.00000 -0.00000 116 13 C 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 118 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 119 2PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 120 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 121 3S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 122 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 123 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 124 3PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 125 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 126 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 127 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 128 4XY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 129 4XZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 130 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 131 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 133 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 134 2PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 135 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 136 3S -0.00000 -0.00000 -0.00000 0.00000 0.00000 137 3PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 138 3PY -0.00000 -0.00000 0.00000 0.00000 0.00000 139 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 140 4XX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 141 4YY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 142 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 144 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 146 15 H 1S 0.00000 -0.00000 0.00000 0.00000 -0.00000 147 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 148 16 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 149 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 150 17 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 151 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 152 18 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 153 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 154 19 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 155 2S 0.00001 -0.00000 0.00000 -0.00001 -0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00006 -0.00000 0.00002 0.00000 -0.00000 46 47 48 49 50 46 4 C 1S 2.05272 47 2S -0.01389 0.32935 48 2PX 0.00000 0.00000 0.41895 49 2PY 0.00000 0.00000 0.00000 0.42193 50 2PZ 0.00000 0.00000 0.00000 -0.00000 0.33217 51 3S -0.03132 0.21212 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.07671 0.00000 -0.00000 53 3PY 0.00000 0.00000 -0.00000 0.06902 0.00000 54 3PZ 0.00000 0.00000 -0.00000 0.00000 0.12528 55 4XX -0.00143 -0.00105 0.00000 0.00000 0.00000 56 4YY -0.00148 -0.00024 0.00000 0.00000 0.00000 57 4ZZ -0.00091 -0.01098 0.00000 0.00000 0.00000 58 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 59 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 -0.00053 -0.00027 -0.00252 -0.00000 62 2S -0.00053 0.01081 0.00440 0.03782 0.00001 63 2PX -0.00028 0.00389 -0.00067 0.01218 -0.00007 64 2PY -0.00251 0.03848 0.01302 0.07796 0.00012 65 2PZ -0.00000 0.00001 -0.00007 0.00013 0.02087 66 3S 0.00030 0.00759 0.00133 0.03180 0.00003 67 3PX 0.00001 0.00260 0.00454 0.00192 -0.00004 68 3PY -0.00125 0.01746 0.00627 0.01258 0.00006 69 3PZ -0.00000 -0.00000 -0.00004 0.00009 0.03130 70 4XX 0.00001 -0.00056 0.00005 -0.00114 0.00000 71 4YY -0.00022 0.00284 0.00118 0.00047 0.00000 72 4ZZ 0.00000 -0.00035 -0.00005 -0.00076 0.00000 73 4XY -0.00007 0.00079 0.00066 0.00174 0.00000 74 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00018 75 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00183 76 6 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00010 -0.00000 -0.00038 -0.00000 78 2PX 0.00000 -0.00003 0.00001 -0.00009 -0.00000 79 2PY 0.00000 -0.00036 0.00001 -0.00094 -0.00001 80 2PZ 0.00000 -0.00001 -0.00000 -0.00002 -0.00003 81 3S -0.00004 -0.00034 -0.00052 -0.00242 -0.00009 82 3PX 0.00004 -0.00055 0.00048 -0.00154 -0.00003 83 3PY -0.00007 -0.00077 -0.00065 -0.00025 -0.00010 84 3PZ 0.00000 -0.00005 -0.00004 -0.00018 -0.00085 85 4XX 0.00000 -0.00000 0.00000 -0.00002 0.00000 86 4YY -0.00000 0.00004 -0.00001 0.00023 0.00000 87 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 88 4XY 0.00000 -0.00000 0.00000 0.00001 0.00000 89 4XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 90 4YZ -0.00000 0.00000 0.00000 0.00001 0.00001 91 7 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 -0.00001 -0.00001 -0.00002 -0.00000 93 2PX 0.00000 -0.00002 0.00002 -0.00006 -0.00001 94 2PY 0.00000 -0.00002 -0.00006 0.00000 -0.00001 95 2PZ 0.00000 -0.00000 -0.00001 -0.00001 -0.00002 96 3S 0.00005 -0.00095 -0.00063 -0.00135 -0.00003 97 3PX 0.00006 -0.00087 -0.00003 -0.00081 -0.00019 98 3PY 0.00006 -0.00087 -0.00102 -0.00013 -0.00016 99 3PZ 0.00000 -0.00005 -0.00024 -0.00015 -0.00128 100 4XX -0.00000 -0.00000 0.00000 -0.00000 0.00000 101 4YY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 102 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 103 4XY 0.00000 -0.00000 0.00000 -0.00000 0.00000 104 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 105 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 106 8 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 107 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 108 9 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 109 2S -0.00000 0.00015 -0.00000 0.00054 0.00000 110 10 H 1S 0.00000 -0.00019 -0.00035 -0.00038 -0.00000 111 2S 0.00022 -0.00310 -0.00530 -0.00526 -0.00005 112 11 H 1S -0.00200 0.03151 0.04204 0.05470 0.00274 113 2S -0.00132 0.01284 0.02693 0.03575 0.00177 114 12 H 1S 0.00000 -0.00019 -0.00046 -0.00028 -0.00001 115 2S 0.00023 -0.00322 -0.00663 -0.00440 -0.00007 116 13 C 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 117 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 118 2PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 119 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 120 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 121 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 122 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 123 3PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 124 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 125 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 126 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 127 4ZZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 128 4XY 0.00000 0.00000 0.00000 -0.00000 0.00000 129 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 130 4YZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 131 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 133 2PX 0.00000 0.00000 0.00000 -0.00000 0.00000 134 2PY 0.00000 0.00000 0.00000 -0.00000 0.00000 135 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 136 3S -0.00000 0.00000 0.00000 -0.00000 0.00000 137 3PX -0.00000 0.00000 0.00000 -0.00000 0.00000 138 3PY 0.00000 0.00000 -0.00000 0.00000 0.00000 139 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 140 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 141 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 142 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 143 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 145 4YZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 148 16 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 149 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 150 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 151 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 152 18 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 153 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 154 19 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 155 2S 0.00000 -0.00000 -0.00001 0.00000 -0.00000 156 20 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 157 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 51 52 53 54 55 51 3S 0.24128 52 3PX 0.00000 0.05280 53 3PY 0.00000 0.00000 0.03963 54 3PZ 0.00000 -0.00000 0.00000 0.14904 55 4XX -0.00056 0.00000 0.00000 0.00000 0.00104 56 4YY 0.00027 0.00000 0.00000 0.00000 -0.00017 57 4ZZ -0.00693 0.00000 0.00000 0.00000 0.00005 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 0.00026 -0.00025 -0.00107 0.00000 0.00001 62 2S 0.00847 0.00120 0.01936 0.00001 -0.00057 63 2PX 0.00583 0.00384 0.00358 -0.00004 0.00005 64 2PY 0.02695 0.00740 0.01019 0.00003 -0.00132 65 2PZ -0.00001 -0.00003 0.00006 0.03164 -0.00000 66 3S -0.00350 -0.00109 0.01701 0.00004 -0.00110 67 3PX 0.00426 0.00694 0.00089 -0.00004 -0.00017 68 3PY 0.01052 0.00449 0.00059 0.00005 -0.00125 69 3PZ -0.00002 -0.00004 0.00007 0.05132 -0.00001 70 4XX -0.00178 -0.00028 -0.00106 -0.00000 0.00003 71 4YY 0.00328 0.00060 0.00015 0.00001 -0.00006 72 4ZZ -0.00058 -0.00003 -0.00058 -0.00000 0.00001 73 4XY 0.00021 0.00014 0.00010 -0.00000 -0.00000 74 4XZ 0.00000 -0.00000 0.00000 0.00010 0.00000 75 4YZ 0.00000 -0.00000 0.00000 0.00123 0.00000 76 6 C 1S -0.00005 -0.00004 0.00002 -0.00000 0.00000 77 2S -0.00029 0.00046 -0.00192 0.00003 -0.00000 78 2PX 0.00026 -0.00013 0.00061 -0.00001 -0.00000 79 2PY -0.00330 0.00143 -0.00406 0.00005 -0.00001 80 2PZ -0.00001 -0.00001 -0.00005 -0.00087 -0.00000 81 3S 0.00264 0.00022 -0.00420 -0.00010 -0.00011 82 3PX -0.00049 0.00067 -0.00029 -0.00005 0.00001 83 3PY -0.00346 0.00045 -0.00175 -0.00010 -0.00015 84 3PZ -0.00011 -0.00007 -0.00021 -0.00423 -0.00002 85 4XX -0.00016 0.00000 -0.00026 0.00002 0.00000 86 4YY 0.00041 -0.00009 0.00079 0.00001 -0.00000 87 4ZZ -0.00001 0.00000 0.00000 -0.00002 0.00000 88 4XY 0.00001 -0.00005 -0.00000 0.00001 0.00000 89 4XZ -0.00000 -0.00000 0.00000 0.00005 0.00000 90 4YZ 0.00000 0.00000 0.00001 0.00012 -0.00000 91 7 C 1S 0.00006 0.00005 0.00006 0.00000 -0.00000 92 2S -0.00097 -0.00063 -0.00077 -0.00004 0.00000 93 2PX -0.00063 0.00049 -0.00105 -0.00021 0.00000 94 2PY -0.00117 -0.00126 0.00040 -0.00015 -0.00000 95 2PZ -0.00006 -0.00021 -0.00015 -0.00127 0.00000 96 3S -0.00674 -0.00241 -0.00342 -0.00007 0.00002 97 3PX -0.00287 0.00016 -0.00076 -0.00059 0.00008 98 3PY -0.00398 -0.00190 0.00048 -0.00046 -0.00008 99 3PZ -0.00025 -0.00076 -0.00039 -0.00713 0.00001 100 4XX 0.00003 0.00009 -0.00008 0.00001 -0.00000 101 4YY -0.00000 -0.00012 0.00009 -0.00000 0.00000 102 4ZZ 0.00002 0.00001 0.00001 0.00000 -0.00000 103 4XY -0.00001 0.00002 0.00000 0.00000 0.00000 104 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 105 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 106 8 H 1S 0.00001 0.00000 0.00000 0.00000 0.00000 107 2S 0.00017 0.00005 0.00013 -0.00000 0.00000 108 9 H 1S 0.00009 -0.00001 0.00022 -0.00000 -0.00000 109 2S 0.00116 -0.00009 0.00259 -0.00001 -0.00000 110 10 H 1S -0.00382 -0.00058 -0.00175 0.00000 0.00004 111 2S -0.01259 -0.00425 -0.00647 -0.00003 0.00066 112 11 H 1S 0.03787 0.01902 0.02395 0.00123 0.00023 113 2S 0.02050 0.01711 0.02204 0.00113 0.00041 114 12 H 1S -0.00398 -0.00213 -0.00044 -0.00004 -0.00001 115 2S -0.01407 -0.00891 -0.00355 -0.00011 -0.00046 116 13 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 117 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 118 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 119 2PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 120 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 121 3S -0.00001 -0.00003 0.00000 0.00000 -0.00000 122 3PX -0.00003 -0.00006 -0.00001 -0.00001 -0.00000 123 3PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 124 3PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 125 4XX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 126 4YY 0.00000 0.00000 -0.00000 0.00000 -0.00000 127 4ZZ -0.00000 -0.00000 0.00000 0.00000 0.00000 128 4XY 0.00000 0.00000 -0.00000 0.00000 -0.00000 129 4XZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 130 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 131 14 C 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 132 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 133 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 134 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 135 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 136 3S 0.00000 0.00000 -0.00000 0.00000 -0.00000 137 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 138 3PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 139 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 140 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 141 4YY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 142 4ZZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 143 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 145 4YZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 146 15 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 147 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 148 16 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 149 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 150 17 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 151 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 152 18 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 153 2S -0.00001 -0.00003 0.00000 -0.00000 0.00000 154 19 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 155 2S -0.00008 -0.00015 0.00001 -0.00000 0.00000 156 20 H 1S 0.00000 0.00001 0.00000 -0.00000 -0.00000 157 2S 0.00005 0.00010 0.00002 -0.00002 -0.00000 56 57 58 59 60 56 4YY 0.00112 57 4ZZ 0.00003 0.00089 58 4XY -0.00000 0.00000 0.00166 59 4XZ -0.00000 -0.00000 -0.00000 0.00053 60 4YZ -0.00000 0.00000 0.00000 0.00000 0.00052 61 5 C 1S -0.00021 0.00000 -0.00007 -0.00000 -0.00000 62 2S 0.00286 -0.00035 0.00076 0.00000 0.00000 63 2PX 0.00147 -0.00011 0.00067 -0.00000 0.00000 64 2PY 0.00060 -0.00069 0.00142 0.00001 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00022 0.00183 66 3S 0.00245 -0.00058 0.00042 0.00000 -0.00000 67 3PX 0.00019 -0.00010 0.00031 0.00000 -0.00000 68 3PY 0.00043 -0.00049 0.00011 0.00000 0.00000 69 3PZ 0.00001 0.00000 -0.00000 0.00017 0.00119 70 4XX -0.00009 0.00001 -0.00001 0.00000 -0.00000 71 4YY 0.00008 -0.00005 -0.00012 -0.00000 0.00000 72 4ZZ -0.00005 0.00002 -0.00002 -0.00000 -0.00000 73 4XY -0.00011 -0.00002 -0.00010 -0.00000 -0.00000 74 4XZ 0.00000 0.00000 0.00000 -0.00000 0.00003 75 4YZ 0.00000 0.00000 -0.00000 -0.00003 -0.00002 76 6 C 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 77 2S 0.00003 0.00000 0.00001 -0.00000 0.00000 78 2PX 0.00002 -0.00000 -0.00001 0.00000 0.00000 79 2PY 0.00016 -0.00000 0.00004 -0.00000 0.00001 80 2PZ 0.00001 -0.00000 0.00000 -0.00000 0.00002 81 3S 0.00032 -0.00000 0.00006 -0.00000 0.00001 82 3PX 0.00006 0.00001 -0.00009 0.00000 0.00001 83 3PY 0.00051 -0.00003 0.00006 -0.00000 0.00002 84 3PZ 0.00003 0.00000 0.00001 -0.00003 0.00021 85 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 87 4ZZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 88 4XY 0.00000 -0.00000 -0.00000 0.00000 0.00000 89 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 91 7 C 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 92 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 93 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 94 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 95 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 96 3S 0.00003 0.00002 -0.00001 -0.00000 0.00000 97 3PX -0.00008 0.00002 0.00003 0.00000 0.00000 98 3PY 0.00011 0.00001 0.00002 -0.00000 0.00000 99 3PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 100 4XX 0.00000 -0.00000 0.00000 -0.00000 0.00000 101 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 102 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 103 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 104 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 105 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 106 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 107 2S 0.00000 0.00000 0.00000 0.00000 0.00000 108 9 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 109 2S -0.00002 -0.00000 -0.00000 -0.00000 -0.00000 110 10 H 1S -0.00002 0.00000 0.00009 0.00000 0.00000 111 2S -0.00057 0.00008 0.00029 0.00000 0.00001 112 11 H 1S 0.00134 -0.00070 0.00434 0.00016 0.00025 113 2S 0.00168 -0.00064 0.00096 0.00003 0.00005 114 12 H 1S 0.00003 0.00000 0.00009 -0.00000 0.00000 115 2S 0.00052 0.00006 0.00036 -0.00001 0.00000 116 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 118 2PX 0.00000 0.00000 0.00000 -0.00000 0.00000 119 2PY 0.00000 0.00000 0.00000 -0.00000 0.00000 120 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 121 3S 0.00000 0.00000 0.00000 -0.00000 0.00000 122 3PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 123 3PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 124 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 125 4XX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 126 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 127 4ZZ 0.00000 0.00000 0.00000 -0.00000 0.00000 128 4XY -0.00000 0.00000 -0.00000 -0.00000 0.00000 129 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 130 4YZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 131 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 133 2PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 134 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 135 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 136 3S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 137 3PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 138 3PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 139 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 140 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 141 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 148 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 150 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 151 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 153 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 154 19 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 155 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 156 20 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 5 C 1S 2.05260 62 2S -0.01384 0.32897 63 2PX 0.00000 0.00000 0.41882 64 2PY 0.00000 0.00000 0.00000 0.42003 65 2PZ 0.00000 0.00000 0.00000 -0.00000 0.33518 66 3S -0.03093 0.20851 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.07004 -0.00000 -0.00000 68 3PY 0.00000 0.00000 -0.00000 0.07603 0.00000 69 3PZ 0.00000 0.00000 -0.00000 0.00000 0.12676 70 4XX -0.00161 0.00161 0.00000 0.00000 0.00000 71 4YY -0.00131 -0.00290 0.00000 0.00000 0.00000 72 4ZZ -0.00091 -0.01097 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 -0.00052 -0.00120 -0.00148 -0.00007 77 2S -0.00052 0.01070 0.01780 0.02314 0.00114 78 2PX -0.00119 0.01858 0.00991 0.03255 0.00307 79 2PY -0.00149 0.02220 0.03116 0.02018 0.00268 80 2PZ -0.00007 0.00114 0.00305 0.00273 0.01730 81 3S 0.00028 0.00829 0.01850 0.01307 0.00088 82 3PX -0.00077 0.00751 -0.00109 0.01491 0.00154 83 3PY -0.00051 0.01247 0.00879 -0.00006 0.00089 84 3PZ -0.00004 0.00053 0.00139 0.00121 0.02831 85 4XX -0.00002 0.00017 -0.00105 0.00079 0.00004 86 4YY -0.00005 0.00063 0.00186 -0.00127 0.00010 87 4ZZ 0.00000 -0.00033 -0.00037 -0.00034 0.00004 88 4XY -0.00018 0.00206 0.00073 0.00134 0.00023 89 4XZ -0.00001 0.00008 0.00001 0.00016 0.00075 90 4YZ -0.00001 0.00012 0.00022 0.00006 0.00083 91 7 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 -0.00009 -0.00031 -0.00005 -0.00001 93 2PX 0.00000 -0.00035 -0.00078 -0.00014 -0.00005 94 2PY 0.00000 -0.00002 -0.00001 -0.00000 -0.00000 95 2PZ 0.00000 -0.00001 -0.00004 -0.00001 -0.00002 96 3S -0.00005 -0.00036 -0.00345 0.00078 0.00001 97 3PX 0.00003 -0.00199 -0.00504 0.00029 -0.00030 98 3PY -0.00006 0.00052 0.00167 -0.00039 0.00007 99 3PZ -0.00000 -0.00005 -0.00032 0.00000 -0.00094 100 4XX -0.00000 0.00002 0.00010 0.00003 0.00002 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 0.00001 0.00005 0.00000 0.00000 104 4XZ -0.00000 0.00000 0.00002 0.00000 0.00001 105 4YZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 106 8 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 107 2S -0.00000 0.00014 0.00033 0.00016 0.00002 108 9 H 1S 0.00000 -0.00019 -0.00006 -0.00067 -0.00001 109 2S 0.00022 -0.00306 -0.00064 -0.01008 -0.00014 110 10 H 1S -0.00201 0.03156 0.09262 0.00456 0.00217 111 2S -0.00131 0.01269 0.06017 0.00296 0.00141 112 11 H 1S 0.00000 -0.00019 -0.00001 -0.00072 -0.00001 113 2S 0.00022 -0.00305 -0.00025 -0.01053 -0.00011 114 12 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 115 2S -0.00000 0.00014 0.00013 0.00038 0.00000 116 13 C 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 117 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 118 2PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 119 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 120 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 121 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 122 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 123 3PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 124 3PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 125 4XX 0.00000 0.00000 -0.00000 0.00000 -0.00000 126 4YY 0.00000 -0.00000 0.00000 0.00000 0.00000 127 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 128 4XY 0.00000 0.00000 0.00000 -0.00000 -0.00000 129 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 130 4YZ 0.00000 0.00000 0.00000 -0.00000 0.00000 131 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 133 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 134 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 135 2PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 136 3S -0.00000 0.00000 -0.00000 -0.00000 0.00000 137 3PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 138 3PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 139 3PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 140 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 141 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 150 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 151 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 152 18 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 153 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 154 19 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 155 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 156 20 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 157 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 66 67 68 69 70 66 3S 0.22540 67 3PX 0.00000 0.04176 68 3PY 0.00000 -0.00000 0.04890 69 3PZ 0.00000 -0.00000 0.00000 0.15127 70 4XX 0.00287 0.00000 0.00000 0.00000 0.00171 71 4YY -0.00300 0.00000 0.00000 0.00000 -0.00029 72 4ZZ -0.00686 0.00000 0.00000 0.00000 -0.00002 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 0.00031 -0.00031 -0.00087 -0.00003 -0.00002 77 2S 0.00746 0.00959 0.00948 0.00058 0.00021 78 2PX 0.01114 -0.00071 0.01545 0.00142 -0.00100 79 2PY 0.02124 0.00821 -0.00011 0.00101 0.00126 80 2PZ 0.00084 0.00133 0.00126 0.02826 0.00004 81 3S -0.00400 0.01110 0.00268 0.00028 -0.00051 82 3PX 0.00257 -0.00001 0.00912 0.00132 -0.00064 83 3PY 0.01310 0.00321 -0.00081 0.00061 0.00024 84 3PZ 0.00036 0.00117 0.00087 0.04697 0.00008 85 4XX 0.00076 -0.00067 0.00022 0.00011 0.00008 86 4YY -0.00005 0.00039 -0.00055 0.00007 -0.00029 87 4ZZ -0.00044 -0.00021 -0.00012 -0.00012 0.00000 88 4XY 0.00087 -0.00002 0.00002 0.00005 0.00000 89 4XZ 0.00003 -0.00000 0.00002 0.00060 0.00001 90 4YZ 0.00004 0.00003 0.00000 0.00060 -0.00000 91 7 C 1S -0.00005 -0.00011 0.00005 -0.00000 -0.00000 92 2S -0.00029 -0.00030 -0.00078 -0.00006 0.00004 93 2PX -0.00260 -0.00066 -0.00227 -0.00029 0.00018 94 2PY -0.00086 -0.00060 0.00032 -0.00006 -0.00001 95 2PZ -0.00010 -0.00017 -0.00012 -0.00084 0.00001 96 3S 0.00202 -0.00328 0.00026 0.00022 0.00035 97 3PX -0.00513 -0.00305 -0.00107 -0.00055 0.00065 98 3PY -0.00021 0.00064 -0.00028 -0.00001 -0.00012 99 3PZ -0.00012 -0.00056 -0.00013 -0.00472 0.00005 100 4XX 0.00020 0.00027 0.00006 0.00009 0.00000 101 4YY -0.00006 -0.00008 0.00002 -0.00001 -0.00000 102 4ZZ 0.00000 -0.00000 0.00001 -0.00002 -0.00000 103 4XY 0.00010 0.00010 -0.00006 0.00000 -0.00000 104 4XZ 0.00001 0.00005 0.00001 0.00018 0.00000 105 4YZ 0.00000 -0.00000 -0.00000 -0.00004 -0.00000 106 8 H 1S 0.00010 0.00010 0.00012 0.00001 -0.00000 107 2S 0.00128 0.00118 0.00132 0.00008 -0.00003 108 9 H 1S -0.00368 -0.00040 -0.00205 -0.00005 -0.00001 109 2S -0.01206 -0.00111 -0.00987 -0.00019 -0.00049 110 10 H 1S 0.03947 0.04030 0.00199 0.00095 0.00647 111 2S 0.02360 0.03644 0.00178 0.00085 0.00601 112 11 H 1S -0.00364 0.00006 -0.00260 -0.00001 -0.00001 113 2S -0.01190 -0.00004 -0.01127 -0.00010 -0.00016 114 12 H 1S 0.00010 0.00000 0.00023 -0.00000 -0.00000 115 2S 0.00129 0.00007 0.00252 -0.00001 -0.00002 116 13 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 117 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 118 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 119 2PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 120 2PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 121 3S -0.00000 0.00001 -0.00000 0.00000 -0.00000 122 3PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 123 3PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 124 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 125 4XX 0.00000 -0.00000 0.00000 -0.00000 0.00000 126 4YY -0.00000 0.00000 -0.00000 0.00000 -0.00000 127 4ZZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 128 4XY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 129 4XZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 130 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 131 14 C 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 132 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 133 2PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 134 2PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 135 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 136 3S 0.00000 -0.00000 -0.00000 0.00000 0.00000 137 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 138 3PY -0.00000 0.00000 0.00000 -0.00000 0.00000 139 3PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 140 4XX -0.00000 0.00000 -0.00000 -0.00000 0.00000 141 4YY -0.00000 0.00000 0.00000 -0.00000 0.00000 142 4ZZ -0.00000 0.00000 0.00000 -0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 145 4YZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 146 15 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 147 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 148 16 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 149 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 150 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 151 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 152 18 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 153 2S -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 154 19 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 155 2S -0.00000 -0.00001 0.00000 0.00004 -0.00000 156 20 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 157 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 71 72 73 74 75 71 4YY 0.00121 72 4ZZ 0.00009 0.00090 73 4XY -0.00000 -0.00000 0.00117 74 4XZ -0.00000 -0.00000 0.00000 0.00032 75 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00069 76 6 C 1S -0.00005 0.00000 -0.00018 -0.00001 -0.00001 77 2S 0.00059 -0.00033 0.00207 0.00008 0.00012 78 2PX 0.00139 -0.00028 0.00070 0.00001 0.00020 79 2PY -0.00135 -0.00044 0.00147 0.00020 0.00007 80 2PZ 0.00009 0.00003 0.00023 0.00067 0.00087 81 3S 0.00126 -0.00047 0.00083 0.00002 0.00005 82 3PX 0.00054 -0.00007 -0.00005 -0.00000 0.00004 83 3PY -0.00068 -0.00032 0.00001 0.00002 0.00000 84 3PZ 0.00008 -0.00010 0.00005 0.00046 0.00070 85 4XX -0.00019 -0.00001 -0.00002 0.00001 -0.00002 86 4YY 0.00011 -0.00001 -0.00003 -0.00001 0.00000 87 4ZZ -0.00002 0.00001 -0.00005 0.00000 -0.00000 88 4XY -0.00006 -0.00004 0.00004 0.00001 0.00000 89 4XZ -0.00002 0.00000 -0.00000 -0.00000 -0.00005 90 4YZ 0.00000 0.00000 0.00001 0.00003 -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 -0.00002 0.00000 0.00002 0.00002 0.00000 94 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 95 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 96 3S -0.00015 0.00000 0.00004 0.00001 -0.00000 97 3PX -0.00024 0.00004 0.00002 0.00004 0.00001 98 3PY 0.00001 -0.00001 -0.00003 0.00000 -0.00000 99 3PZ 0.00001 -0.00002 0.00002 0.00007 0.00007 100 4XX -0.00000 -0.00000 0.00000 0.00000 0.00000 101 4YY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 102 4ZZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 103 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 104 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 106 8 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 107 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 108 9 H 1S 0.00012 0.00000 -0.00000 -0.00000 0.00000 109 2S 0.00098 0.00006 -0.00009 -0.00001 -0.00000 110 10 H 1S -0.00127 -0.00071 0.00079 0.00031 0.00003 111 2S -0.00305 -0.00069 0.00017 0.00005 0.00001 112 11 H 1S 0.00009 0.00000 0.00002 -0.00000 0.00000 113 2S 0.00041 0.00009 0.00011 -0.00000 0.00002 114 12 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 115 2S 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 116 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 118 2PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 119 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 120 2PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 121 3S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 122 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 123 3PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 124 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 125 4XX -0.00000 -0.00000 0.00000 0.00000 -0.00000 126 4YY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 127 4ZZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 128 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 129 4XZ -0.00000 0.00000 -0.00000 0.00000 0.00000 130 4YZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 131 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 134 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 3S -0.00000 -0.00000 0.00000 0.00000 0.00000 137 3PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 138 3PY -0.00000 0.00000 -0.00000 0.00000 0.00000 139 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 140 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 141 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 148 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 150 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 151 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 152 18 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 153 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 154 19 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 155 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 156 20 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 157 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 76 77 78 79 80 76 6 C 1S 2.05273 77 2S -0.01389 0.32935 78 2PX 0.00000 0.00000 0.41929 79 2PY 0.00000 0.00000 0.00000 0.42182 80 2PZ 0.00000 0.00000 0.00000 -0.00000 0.33173 81 3S -0.03139 0.21270 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 0.07594 -0.00000 -0.00000 83 3PY 0.00000 0.00000 0.00000 0.06981 0.00000 84 3PZ 0.00000 0.00000 -0.00000 0.00000 0.12552 85 4XX -0.00132 -0.00276 0.00000 0.00000 0.00000 86 4YY -0.00160 0.00161 0.00000 0.00000 0.00000 87 4ZZ -0.00090 -0.01113 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 -0.00054 -0.00260 -0.00014 -0.00006 92 2S -0.00054 0.01102 0.04012 0.00183 0.00093 93 2PX -0.00262 0.03915 0.08328 0.00601 0.00477 94 2PY -0.00012 0.00201 0.00631 0.00019 -0.00004 95 2PZ -0.00006 0.00092 0.00474 -0.00005 0.01852 96 3S 0.00060 0.00503 0.02022 0.00335 0.00042 97 3PX -0.00106 0.01838 0.01171 0.00098 0.00193 98 3PY -0.00021 0.00090 0.00578 0.00534 -0.00000 99 3PZ -0.00002 0.00045 0.00185 -0.00009 0.02942 100 4XX -0.00023 0.00310 0.00106 0.00076 0.00028 101 4YY 0.00001 -0.00060 -0.00151 0.00006 -0.00004 102 4ZZ 0.00000 -0.00033 -0.00064 -0.00006 0.00003 103 4XY -0.00004 0.00036 0.00063 0.00130 0.00003 104 4XZ -0.00001 0.00014 0.00027 0.00004 0.00155 105 4YZ -0.00000 0.00001 0.00004 0.00003 0.00008 106 8 H 1S 0.00000 -0.00019 -0.00068 -0.00004 -0.00002 107 2S 0.00023 -0.00322 -0.00998 -0.00066 -0.00031 108 9 H 1S -0.00200 0.03150 0.00922 0.09023 0.00003 109 2S -0.00132 0.01286 0.00578 0.05859 0.00002 110 10 H 1S 0.00000 -0.00019 -0.00060 -0.00010 -0.00002 111 2S 0.00022 -0.00310 -0.00896 -0.00125 -0.00034 112 11 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 113 2S -0.00000 0.00015 0.00011 0.00042 0.00001 114 12 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 116 13 C 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 117 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 118 2PX -0.00000 0.00000 0.00000 0.00000 -0.00000 119 2PY -0.00000 0.00000 0.00000 0.00000 -0.00000 120 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 121 3S -0.00000 0.00000 0.00000 -0.00000 0.00000 122 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 123 3PY -0.00000 0.00000 0.00000 0.00000 -0.00000 124 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 125 4XX -0.00000 0.00000 0.00000 0.00000 0.00000 126 4YY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 127 4ZZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 128 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 129 4XZ -0.00000 0.00000 0.00000 0.00000 -0.00000 130 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 134 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 135 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 136 3S -0.00000 0.00000 0.00000 0.00000 0.00000 137 3PX -0.00000 0.00000 -0.00000 0.00000 0.00000 138 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 139 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 140 4XX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 141 4YY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 142 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 144 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 145 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 147 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 148 16 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 149 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 150 17 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 151 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 152 18 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 153 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 154 19 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 156 20 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 157 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 81 82 83 84 85 81 3S 0.23944 82 3PX 0.00000 0.05081 83 3PY 0.00000 0.00000 0.04008 84 3PZ 0.00000 -0.00000 0.00000 0.14990 85 4XX -0.00273 0.00000 0.00000 0.00000 0.00116 86 4YY 0.00255 0.00000 0.00000 0.00000 -0.00027 87 4ZZ -0.00706 0.00000 0.00000 0.00000 0.00009 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 0.00038 -0.00133 0.00006 -0.00004 -0.00023 92 2S 0.00736 0.01921 0.00124 0.00040 0.00308 93 2PX 0.03595 0.01353 0.00135 0.00223 0.00106 94 2PY 0.00048 0.00310 0.00378 -0.00005 0.00061 95 2PZ 0.00070 0.00194 -0.00010 0.02986 0.00030 96 3S -0.01285 0.00363 0.00246 0.00011 0.00339 97 3PX 0.01539 0.00080 0.00031 0.00152 0.00030 98 3PY -0.00027 0.00336 0.00568 -0.00011 0.00037 99 3PZ 0.00009 0.00136 -0.00014 0.04878 0.00021 100 4XX 0.00311 0.00054 0.00010 0.00022 0.00002 101 4YY -0.00173 -0.00167 -0.00009 -0.00006 -0.00003 102 4ZZ -0.00046 -0.00031 -0.00006 -0.00008 -0.00006 103 4XY 0.00025 0.00005 0.00038 0.00000 -0.00007 104 4XZ 0.00004 0.00003 -0.00000 0.00112 0.00001 105 4YZ 0.00001 0.00001 0.00001 0.00008 -0.00001 106 8 H 1S -0.00397 -0.00250 0.00013 -0.00009 0.00007 107 2S -0.01354 -0.01123 0.00000 -0.00021 0.00020 108 9 H 1S 0.03795 0.00428 0.04006 0.00001 -0.00122 109 2S 0.02059 0.00371 0.03669 0.00001 -0.00263 110 10 H 1S -0.00382 -0.00157 -0.00069 -0.00008 0.00011 111 2S -0.01258 -0.00830 -0.00205 -0.00035 0.00097 112 11 H 1S 0.00009 0.00009 0.00011 0.00001 0.00000 113 2S 0.00119 0.00100 0.00139 0.00007 0.00000 114 12 H 1S 0.00001 0.00000 0.00000 -0.00000 -0.00000 115 2S 0.00018 0.00001 0.00015 -0.00000 -0.00000 116 13 C 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 117 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 118 2PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 119 2PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 120 2PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 121 3S -0.00000 0.00004 -0.00001 0.00002 -0.00000 122 3PX 0.00001 0.00004 -0.00002 0.00002 0.00000 123 3PY 0.00003 0.00008 0.00000 -0.00002 0.00000 124 3PZ 0.00001 0.00003 -0.00000 -0.00001 0.00000 125 4XX 0.00000 0.00000 -0.00000 -0.00000 0.00000 126 4YY -0.00000 -0.00000 0.00000 0.00000 0.00000 127 4ZZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 128 4XY -0.00000 -0.00000 -0.00000 0.00000 0.00000 129 4XZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 132 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 133 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 134 2PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 135 2PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 136 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 137 3PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 138 3PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 139 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 140 4XX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 141 4YY 0.00000 -0.00000 0.00000 -0.00000 0.00000 142 4ZZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 143 4XY 0.00000 0.00000 -0.00000 -0.00000 0.00000 144 4XZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 145 4YZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 146 15 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 147 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 148 16 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 149 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 150 17 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 151 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 152 18 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 153 2S -0.00003 -0.00008 0.00000 0.00000 0.00000 154 19 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 155 2S -0.00006 -0.00013 0.00002 0.00007 0.00000 156 20 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 157 2S -0.00005 -0.00009 -0.00002 0.00000 -0.00000 86 87 88 89 90 86 4YY 0.00167 87 4ZZ -0.00003 0.00095 88 4XY 0.00000 -0.00000 0.00126 89 4XZ -0.00000 0.00000 -0.00000 0.00067 90 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00030 91 7 C 1S 0.00001 0.00000 -0.00003 -0.00001 -0.00000 92 2S -0.00060 -0.00034 0.00038 0.00014 0.00001 93 2PX -0.00133 -0.00075 0.00095 0.00029 0.00005 94 2PY 0.00006 -0.00002 0.00130 0.00002 0.00003 95 2PZ -0.00003 0.00003 0.00004 0.00163 0.00006 96 3S -0.00179 -0.00043 0.00007 0.00004 0.00000 97 3PX -0.00124 -0.00043 0.00006 0.00003 0.00001 98 3PY -0.00017 -0.00001 0.00031 0.00000 0.00001 99 3PZ -0.00002 -0.00010 0.00000 0.00124 0.00003 100 4XX -0.00005 -0.00006 -0.00006 0.00001 0.00000 101 4YY 0.00003 0.00001 -0.00000 -0.00000 0.00000 102 4ZZ 0.00001 0.00001 -0.00001 0.00000 0.00000 103 4XY -0.00002 -0.00001 -0.00020 -0.00001 -0.00000 104 4XZ -0.00001 0.00000 -0.00000 -0.00002 0.00002 105 4YZ -0.00000 -0.00000 -0.00001 -0.00002 -0.00000 106 8 H 1S -0.00001 0.00000 0.00004 0.00001 0.00000 107 2S -0.00005 0.00010 0.00021 0.00001 0.00001 108 9 H 1S 0.00603 -0.00074 0.00156 0.00000 0.00000 109 2S 0.00564 -0.00087 0.00034 0.00000 -0.00000 110 10 H 1S -0.00002 0.00000 0.00001 0.00001 -0.00000 111 2S -0.00055 0.00009 -0.00006 0.00002 -0.00001 112 11 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 113 2S -0.00003 -0.00000 0.00001 0.00000 -0.00000 114 12 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 115 2S 0.00001 -0.00000 0.00000 0.00000 -0.00000 116 13 C 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 117 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 118 2PX -0.00000 0.00000 0.00000 -0.00000 0.00000 119 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 120 2PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 121 3S -0.00000 0.00000 0.00000 -0.00000 0.00000 122 3PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 123 3PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 124 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 125 4XX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 126 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 127 4ZZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 128 4XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 129 4XZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 130 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 131 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 133 2PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 134 2PY 0.00000 0.00000 0.00000 -0.00000 0.00000 135 2PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 136 3S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 137 3PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 138 3PY 0.00000 0.00000 0.00000 -0.00000 0.00000 139 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 140 4XX 0.00000 0.00000 0.00000 -0.00000 -0.00000 141 4YY 0.00000 0.00000 0.00000 -0.00000 0.00000 142 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00000 143 4XY -0.00000 -0.00000 0.00000 0.00000 -0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 145 4YZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 146 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 148 16 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 149 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 150 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 151 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 152 18 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 153 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 154 19 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 155 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 91 92 93 94 95 91 7 C 1S 2.05293 92 2S -0.01382 0.32793 93 2PX 0.00000 0.00000 0.42031 94 2PY 0.00000 0.00000 0.00000 0.41964 95 2PZ 0.00000 0.00000 0.00000 -0.00000 0.33640 96 3S -0.03234 0.21780 0.00000 0.00000 0.00000 97 3PX 0.00000 0.00000 0.07075 0.00000 -0.00000 98 3PY 0.00000 0.00000 0.00000 0.08689 0.00000 99 3PZ 0.00000 0.00000 -0.00000 0.00000 0.12894 100 4XX -0.00144 -0.00083 0.00000 0.00000 0.00000 101 4YY -0.00148 -0.00043 0.00000 0.00000 0.00000 102 4ZZ -0.00091 -0.01094 0.00000 0.00000 0.00000 103 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 104 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 106 8 H 1S -0.00199 0.03125 0.04273 0.05402 0.00256 107 2S -0.00127 0.01183 0.02769 0.03387 0.00168 108 9 H 1S 0.00000 -0.00020 -0.00045 -0.00028 -0.00001 109 2S 0.00023 -0.00323 -0.00600 -0.00417 -0.00008 110 10 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 111 2S -0.00000 0.00015 0.00050 -0.00001 0.00002 112 11 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 113 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 114 12 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 115 2S -0.00000 0.00015 -0.00001 0.00061 0.00000 116 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 118 2PX 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 119 2PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 120 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 121 3S 0.00000 -0.00009 -0.00032 -0.00004 -0.00019 122 3PX 0.00001 -0.00020 0.00007 0.00008 0.00022 123 3PY 0.00000 -0.00006 -0.00009 -0.00001 0.00005 124 3PZ 0.00000 -0.00004 -0.00011 -0.00006 -0.00001 125 4XX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 126 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 127 4ZZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 128 4XY -0.00000 0.00000 0.00000 -0.00000 0.00000 129 4XZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 130 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 131 14 C 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 132 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 133 2PX -0.00000 0.00000 0.00000 -0.00000 0.00000 134 2PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 135 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 136 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 137 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 138 3PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 139 3PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 140 4XX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 141 4YY -0.00000 0.00000 0.00000 0.00000 -0.00000 142 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 143 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 144 4XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 145 4YZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 146 15 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 147 2S -0.00000 0.00000 0.00000 0.00000 -0.00000 148 16 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 149 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 150 17 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 151 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 152 18 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 153 2S 0.00000 -0.00001 0.00001 -0.00002 0.00015 154 19 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 155 2S 0.00000 -0.00009 0.00004 -0.00021 -0.00036 156 20 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 157 2S -0.00000 0.00011 0.00016 0.00030 0.00000 96 97 98 99 100 96 3S 0.26785 97 3PX 0.00000 0.04854 98 3PY 0.00000 0.00000 0.07304 99 3PZ 0.00000 -0.00000 0.00000 0.15646 100 4XX -0.00140 0.00000 0.00000 0.00000 0.00102 101 4YY 0.00124 0.00000 0.00000 0.00000 -0.00017 102 4ZZ -0.00724 0.00000 0.00000 0.00000 0.00005 103 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 104 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4YZ -0.00000 0.00000 0.00000 0.00000 -0.00000 106 8 H 1S 0.03999 0.01818 0.02424 0.00116 0.00033 107 2S 0.02492 0.01544 0.01792 0.00090 0.00040 108 9 H 1S -0.00357 -0.00135 -0.00065 -0.00002 -0.00001 109 2S -0.01098 -0.00576 -0.00414 -0.00007 -0.00045 110 10 H 1S 0.00009 0.00025 -0.00002 0.00001 -0.00000 111 2S 0.00121 0.00264 -0.00024 0.00007 -0.00001 112 11 H 1S 0.00001 0.00001 0.00001 0.00000 0.00000 113 2S 0.00027 0.00023 0.00028 0.00001 0.00000 114 12 H 1S 0.00011 -0.00001 0.00030 -0.00000 -0.00000 115 2S 0.00183 -0.00009 0.00393 0.00000 -0.00000 116 13 C 1S -0.00000 0.00002 -0.00000 0.00000 -0.00000 117 2S 0.00001 -0.00030 0.00010 -0.00011 0.00000 118 2PX -0.00032 -0.00055 0.00015 -0.00020 0.00000 119 2PY -0.00004 0.00021 -0.00006 0.00009 0.00000 120 2PZ 0.00001 0.00004 0.00010 0.00002 0.00000 121 3S -0.00021 -0.00161 0.00048 -0.00104 -0.00000 122 3PX -0.00058 0.00050 0.00111 0.00096 0.00000 123 3PY -0.00001 0.00084 -0.00121 0.00038 0.00001 124 3PZ -0.00016 -0.00004 0.00025 -0.00011 0.00001 125 4XX -0.00003 0.00004 -0.00002 0.00002 0.00000 126 4YY 0.00001 0.00000 0.00000 -0.00000 -0.00000 127 4ZZ -0.00000 -0.00002 -0.00000 0.00000 -0.00000 128 4XY 0.00000 0.00001 -0.00000 0.00000 -0.00000 129 4XZ -0.00001 -0.00000 -0.00000 0.00000 0.00000 130 4YZ -0.00000 0.00000 0.00000 -0.00000 0.00000 131 14 C 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 132 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 133 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 134 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 135 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 136 3S -0.00000 0.00010 -0.00001 0.00002 0.00000 137 3PX 0.00008 0.00024 0.00001 0.00005 0.00000 138 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 139 3PZ 0.00001 -0.00001 0.00000 0.00002 -0.00000 140 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 141 4YY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 142 4ZZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 143 4XY -0.00000 0.00000 -0.00000 0.00000 0.00000 144 4XZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 145 4YZ 0.00000 -0.00000 0.00000 0.00000 0.00000 146 15 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 147 2S -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 148 16 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 149 2S 0.00001 -0.00002 -0.00001 -0.00000 -0.00000 150 17 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 151 2S -0.00000 0.00000 0.00001 0.00000 0.00000 152 18 H 1S -0.00001 -0.00013 -0.00002 -0.00001 -0.00000 153 2S -0.00005 -0.00057 -0.00025 0.00108 -0.00000 154 19 H 1S -0.00006 -0.00022 -0.00008 -0.00045 -0.00000 155 2S -0.00006 -0.00100 -0.00104 -0.00186 -0.00001 156 20 H 1S 0.00010 -0.00000 0.00018 -0.00000 -0.00000 157 2S 0.00177 0.00053 0.00279 0.00001 -0.00001 101 102 103 104 105 101 4YY 0.00115 102 4ZZ 0.00002 0.00089 103 4XY -0.00000 0.00000 0.00167 104 4XZ -0.00000 -0.00000 -0.00000 0.00052 105 4YZ -0.00000 0.00000 0.00000 0.00000 0.00051 106 8 H 1S 0.00126 -0.00069 0.00436 0.00016 0.00024 107 2S 0.00176 -0.00064 0.00099 0.00002 0.00005 108 9 H 1S 0.00003 0.00000 0.00010 -0.00000 0.00000 109 2S 0.00051 0.00006 0.00037 -0.00001 0.00000 110 10 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 111 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 112 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 113 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 114 12 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 115 2S -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 116 13 C 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 117 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 118 2PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 119 2PY -0.00000 -0.00000 0.00000 0.00000 0.00000 120 2PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 121 3S 0.00000 0.00000 -0.00001 -0.00000 -0.00000 122 3PX -0.00001 0.00000 -0.00000 0.00000 0.00000 123 3PY -0.00000 -0.00000 -0.00000 0.00001 -0.00000 124 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 125 4XX -0.00000 0.00000 0.00000 -0.00000 0.00000 126 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 127 4ZZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 128 4XY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 129 4XZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 130 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 131 14 C 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 132 2S -0.00000 -0.00000 0.00000 -0.00000 0.00000 133 2PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 134 2PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 135 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 136 3S -0.00000 0.00000 0.00000 0.00000 0.00000 137 3PX -0.00000 -0.00000 0.00000 0.00000 0.00000 138 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 140 4XX 0.00000 -0.00000 -0.00000 0.00000 0.00000 141 4YY 0.00000 -0.00000 -0.00000 0.00000 0.00000 142 4ZZ 0.00000 0.00000 -0.00000 0.00000 0.00000 143 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 145 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 147 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 148 16 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 150 17 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 151 2S -0.00000 -0.00000 -0.00000 0.00000 0.00000 152 18 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 153 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 154 19 H 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 155 2S 0.00000 0.00000 -0.00002 -0.00000 -0.00001 156 20 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 157 2S 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 106 107 108 109 110 106 8 H 1S 0.21690 107 2S 0.11300 0.16482 108 9 H 1S -0.00001 -0.00080 0.21752 109 2S -0.00087 -0.00385 0.11383 0.15770 110 10 H 1S -0.00000 -0.00000 -0.00001 -0.00082 0.21740 111 2S -0.00000 -0.00017 -0.00081 -0.00389 0.11398 112 11 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00001 113 2S 0.00000 0.00002 -0.00000 -0.00019 -0.00083 114 12 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 115 2S -0.00000 -0.00017 0.00000 0.00002 -0.00000 116 13 C 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 117 2S -0.00000 0.00009 -0.00000 -0.00000 0.00000 118 2PX -0.00000 0.00036 -0.00000 0.00000 0.00000 119 2PY -0.00000 0.00053 -0.00000 -0.00000 0.00000 120 2PZ 0.00000 0.00015 -0.00000 -0.00000 -0.00000 121 3S 0.00003 0.00160 -0.00000 -0.00000 0.00000 122 3PX -0.00010 0.00114 0.00000 0.00000 0.00000 123 3PY -0.00008 0.00359 0.00000 -0.00000 0.00000 124 3PZ 0.00006 0.00108 -0.00000 -0.00000 -0.00000 125 4XX -0.00000 -0.00004 -0.00000 -0.00000 0.00000 126 4YY 0.00000 0.00001 0.00000 0.00000 0.00000 127 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 128 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 129 4XZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 130 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 131 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 132 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 133 2PX -0.00000 -0.00001 -0.00000 -0.00000 0.00000 134 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 135 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 136 3S -0.00000 -0.00014 -0.00000 -0.00000 0.00000 137 3PX -0.00000 -0.00019 -0.00000 -0.00000 0.00000 138 3PY -0.00000 -0.00000 0.00000 0.00000 0.00000 139 3PZ -0.00000 0.00001 0.00000 0.00000 0.00000 140 4XX -0.00000 0.00000 0.00000 -0.00000 0.00000 141 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4ZZ 0.00000 -0.00000 0.00000 0.00000 0.00000 143 4XY -0.00000 0.00000 0.00000 -0.00000 0.00000 144 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 146 15 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 147 2S 0.00000 0.00001 0.00000 0.00000 -0.00000 148 16 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 149 2S 0.00000 -0.00003 0.00000 0.00000 -0.00000 150 17 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 151 2S -0.00000 0.00001 0.00000 0.00000 0.00000 152 18 H 1S -0.00000 0.00001 0.00000 0.00000 0.00000 153 2S 0.00002 0.00026 0.00000 0.00000 -0.00000 154 19 H 1S -0.00000 0.00007 -0.00000 -0.00000 0.00000 155 2S 0.00010 0.00085 -0.00000 0.00000 -0.00000 156 20 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 157 2S 0.00000 0.00023 0.00000 0.00000 -0.00000 111 112 113 114 115 111 2S 0.15830 112 11 H 1S -0.00082 0.21753 113 2S -0.00397 0.11391 0.15792 114 12 H 1S -0.00000 -0.00001 -0.00086 0.21783 115 2S -0.00018 -0.00083 -0.00397 0.11533 0.16647 116 13 C 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 117 2S 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 119 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 3S -0.00000 0.00000 0.00000 0.00000 0.00006 122 3PX 0.00000 0.00000 0.00000 0.00000 0.00020 123 3PY 0.00000 -0.00000 0.00000 0.00000 -0.00024 124 3PZ -0.00000 0.00000 0.00000 0.00000 0.00001 125 4XX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 126 4YY -0.00000 0.00000 0.00000 -0.00000 0.00000 127 4ZZ -0.00000 0.00000 0.00000 0.00000 0.00000 128 4XY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 129 4XZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 130 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 132 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 133 2PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 134 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 135 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 136 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 137 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 138 3PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 139 3PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 140 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 141 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4ZZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 143 4XY 0.00000 0.00000 0.00000 0.00000 -0.00000 144 4XZ 0.00000 0.00000 -0.00000 0.00000 0.00000 145 4YZ -0.00000 0.00000 -0.00000 0.00000 0.00000 146 15 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 147 2S -0.00000 0.00000 0.00000 0.00000 0.00000 148 16 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 149 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 150 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 151 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S -0.00000 0.00000 0.00000 0.00000 0.00002 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 155 2S -0.00000 0.00000 0.00000 0.00002 0.00003 156 20 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00085 157 2S -0.00000 -0.00000 -0.00001 0.00072 0.00750 116 117 118 119 120 116 13 C 1S 2.05189 117 2S -0.01382 0.32518 118 2PX 0.00000 0.00000 0.38976 119 2PY 0.00000 0.00000 0.00000 0.38830 120 2PZ 0.00000 0.00000 0.00000 0.00000 0.39789 121 3S -0.03141 0.22975 0.00000 0.00000 0.00000 122 3PX 0.00000 0.00000 0.07360 0.00000 -0.00000 123 3PY 0.00000 0.00000 0.00000 0.16531 -0.00000 124 3PZ 0.00000 0.00000 -0.00000 -0.00000 0.09104 125 4XX -0.00134 -0.00235 0.00000 0.00000 0.00000 126 4YY -0.00098 -0.00940 0.00000 0.00000 0.00000 127 4ZZ -0.00152 0.00053 0.00000 0.00000 0.00000 128 4XY 0.00000 -0.00000 0.00000 0.00000 0.00000 129 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 130 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 131 14 C 1S 0.00000 -0.00024 -0.00148 -0.00000 -0.00007 132 2S -0.00024 0.00610 0.02666 0.00008 0.00129 133 2PX -0.00162 0.03084 0.07567 0.00052 0.00476 134 2PY -0.00001 0.00011 0.00056 0.00312 -0.00003 135 2PZ -0.00006 0.00120 0.00455 -0.00004 0.00022 136 3S -0.00017 0.00526 0.03697 0.00004 0.00207 137 3PX -0.00212 0.02534 0.02967 0.00043 0.00276 138 3PY -0.00001 0.00006 0.00040 0.00396 -0.00004 139 3PZ -0.00006 0.00070 0.00279 -0.00005 0.00081 140 4XX -0.00014 0.00267 0.00180 0.00008 0.00049 141 4YY 0.00000 -0.00032 -0.00070 0.00000 -0.00002 142 4ZZ 0.00000 -0.00032 -0.00069 -0.00001 0.00004 143 4XY -0.00000 0.00002 0.00009 0.00155 -0.00000 144 4XZ -0.00002 0.00024 0.00051 -0.00000 0.00087 145 4YZ -0.00000 0.00000 0.00001 0.00005 0.00001 146 15 H 1S 0.00000 -0.00015 -0.00038 -0.00008 -0.00001 147 2S 0.00015 -0.00239 -0.00492 -0.00159 -0.00016 148 16 H 1S 0.00000 -0.00015 -0.00028 -0.00001 -0.00021 149 2S 0.00016 -0.00268 -0.00317 -0.00049 -0.00438 150 17 H 1S 0.00000 -0.00013 -0.00039 -0.00008 -0.00000 151 2S 0.00011 -0.00194 -0.00624 -0.00302 0.00006 152 18 H 1S -0.00202 0.03184 0.00963 0.00357 0.08301 153 2S -0.00119 0.01387 0.00574 0.00182 0.05371 154 19 H 1S 0.00000 -0.00017 -0.00004 -0.00002 -0.00044 155 2S 0.00020 -0.00322 -0.00051 0.00029 -0.00812 156 20 H 1S 0.00000 -0.00014 -0.00007 -0.00034 -0.00007 157 2S 0.00012 -0.00199 -0.00060 -0.00807 -0.00030 121 122 123 124 125 121 3S 0.29133 122 3PX 0.00000 0.05271 123 3PY 0.00000 0.00000 0.23570 124 3PZ 0.00000 -0.00000 -0.00000 0.07547 125 4XX -0.00312 0.00000 0.00000 0.00000 0.00115 126 4YY -0.00590 0.00000 0.00000 0.00000 0.00002 127 4ZZ 0.00164 0.00000 0.00000 0.00000 -0.00020 128 4XY -0.00000 0.00000 0.00000 0.00000 -0.00000 129 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00000 130 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00000 131 14 C 1S 0.00026 -0.00116 0.00001 -0.00004 -0.00014 132 2S 0.00131 0.01605 -0.00006 0.00057 0.00262 133 2PX 0.02289 0.01860 0.00011 0.00051 0.00138 134 2PY 0.00026 -0.00004 0.00117 -0.00001 0.00003 135 2PZ 0.00106 0.00255 -0.00001 -0.00105 0.00044 136 3S -0.01646 0.02260 -0.00022 0.00083 0.00387 137 3PX 0.01333 0.00656 0.00022 0.00036 0.00107 138 3PY 0.00018 0.00001 0.00206 -0.00002 0.00002 139 3PZ 0.00017 0.00213 -0.00005 -0.00038 0.00028 140 4XX 0.00300 0.00056 0.00011 0.00024 0.00000 141 4YY -0.00077 -0.00095 0.00001 0.00005 0.00001 142 4ZZ -0.00102 -0.00066 -0.00008 -0.00015 -0.00004 143 4XY -0.00002 0.00003 0.00166 -0.00001 0.00000 144 4XZ 0.00009 0.00006 -0.00001 0.00059 -0.00003 145 4YZ 0.00000 -0.00000 0.00004 0.00001 -0.00000 146 15 H 1S -0.00214 -0.00025 -0.00126 -0.00015 0.00005 147 2S -0.00630 -0.00189 -0.00497 -0.00030 0.00013 148 16 H 1S -0.00217 -0.00183 -0.00053 -0.00199 -0.00000 149 2S -0.00828 -0.00320 -0.00260 -0.00912 -0.00029 150 17 H 1S -0.00050 -0.00395 -0.00233 0.00010 0.00004 151 2S 0.00248 -0.01429 -0.01305 0.00052 0.00003 152 18 H 1S 0.04516 0.00435 0.00113 0.04251 -0.00117 153 2S 0.02327 0.00378 -0.00004 0.04348 -0.00238 154 19 H 1S -0.00335 -0.00073 0.00030 -0.00316 -0.00001 155 2S -0.01333 -0.00193 0.00285 -0.01458 -0.00026 156 20 H 1S -0.00122 -0.00008 -0.00661 -0.00026 -0.00001 157 2S -0.00018 0.00131 -0.02996 0.00119 -0.00018 126 127 128 129 130 126 4YY 0.00104 127 4ZZ -0.00005 0.00159 128 4XY -0.00000 0.00000 0.00057 129 4XZ -0.00000 0.00000 0.00000 0.00095 130 4YZ -0.00000 0.00000 -0.00000 -0.00000 0.00034 131 14 C 1S 0.00000 0.00000 -0.00000 -0.00001 -0.00000 132 2S -0.00022 -0.00036 0.00001 0.00021 0.00000 133 2PX -0.00067 -0.00090 -0.00002 0.00055 0.00001 134 2PY 0.00000 -0.00001 0.00126 0.00001 0.00002 135 2PZ -0.00001 0.00003 0.00000 0.00095 0.00001 136 3S -0.00068 -0.00166 0.00000 0.00010 0.00000 137 3PX -0.00107 -0.00172 -0.00001 0.00008 0.00001 138 3PY -0.00001 -0.00001 0.00074 0.00000 0.00001 139 3PZ -0.00002 -0.00013 0.00000 0.00064 0.00000 140 4XX -0.00004 -0.00004 0.00000 -0.00002 -0.00000 141 4YY 0.00001 -0.00000 0.00000 -0.00001 0.00000 142 4ZZ 0.00000 0.00002 0.00000 -0.00001 -0.00000 143 4XY -0.00000 -0.00000 -0.00013 -0.00000 0.00000 144 4XZ -0.00001 -0.00001 -0.00000 -0.00011 -0.00000 145 4YZ 0.00000 -0.00000 0.00002 -0.00000 0.00000 146 15 H 1S 0.00000 -0.00000 0.00005 0.00002 0.00000 147 2S 0.00014 -0.00006 0.00021 0.00008 0.00001 148 16 H 1S -0.00000 0.00003 0.00000 0.00009 0.00000 149 2S -0.00002 0.00060 0.00001 0.00034 0.00001 150 17 H 1S 0.00000 -0.00000 0.00005 -0.00000 0.00000 151 2S 0.00009 -0.00002 0.00022 -0.00001 0.00000 152 18 H 1S -0.00086 0.00576 0.00008 0.00146 0.00032 153 2S -0.00124 0.00554 0.00002 0.00029 0.00004 154 19 H 1S -0.00000 0.00013 -0.00000 0.00002 0.00001 155 2S -0.00018 0.00121 -0.00002 -0.00002 0.00001 156 20 H 1S 0.00007 -0.00001 0.00002 -0.00000 0.00002 157 2S 0.00063 -0.00018 0.00002 -0.00004 0.00005 131 132 133 134 135 131 14 C 1S 2.05036 132 2S -0.01158 0.29965 133 2PX 0.00000 0.00000 0.38969 134 2PY 0.00000 0.00000 -0.00000 0.39698 135 2PZ 0.00000 0.00000 -0.00000 0.00000 0.40283 136 3S -0.03312 0.22746 0.00000 0.00000 0.00000 137 3PX 0.00000 0.00000 0.10604 -0.00000 -0.00000 138 3PY 0.00000 0.00000 -0.00000 0.10595 0.00000 139 3PZ 0.00000 0.00000 -0.00000 0.00000 0.10729 140 4XX -0.00132 -0.00286 0.00000 0.00000 0.00000 141 4YY -0.00146 -0.00024 0.00000 0.00000 0.00000 142 4ZZ -0.00147 -0.00004 0.00000 0.00000 0.00000 143 4XY -0.00000 -0.00000 0.00000 0.00000 0.00000 144 4XZ 0.00000 -0.00000 0.00000 0.00000 0.00000 145 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S -0.00169 0.02783 0.01880 0.04698 0.03113 147 2S -0.00080 0.01313 0.01132 0.02955 0.01946 148 16 H 1S -0.00166 0.02701 0.00226 0.00469 0.08884 149 2S -0.00069 0.01157 0.00136 0.00311 0.05598 150 17 H 1S -0.00157 0.02602 0.02025 0.06990 0.00292 151 2S -0.00055 0.01012 0.01272 0.04579 0.00196 152 18 H 1S 0.00000 -0.00014 -0.00037 -0.00000 -0.00017 153 2S 0.00015 -0.00259 -0.00546 -0.00001 -0.00261 154 19 H 1S 0.00000 -0.00000 -0.00001 0.00000 -0.00000 155 2S 0.00001 -0.00024 -0.00072 0.00001 0.00021 156 20 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 157 2S -0.00000 0.00002 0.00006 0.00001 0.00004 136 137 138 139 140 136 3S 0.28690 137 3PX 0.00000 0.09246 138 3PY 0.00000 -0.00000 0.08749 139 3PZ 0.00000 -0.00000 -0.00000 0.08893 140 4XX -0.00159 0.00000 0.00000 0.00000 0.00100 141 4YY 0.00004 0.00000 0.00000 0.00000 -0.00003 142 4ZZ 0.00042 0.00000 0.00000 0.00000 -0.00018 143 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4XZ -0.00000 0.00000 0.00000 0.00000 0.00000 145 4YZ -0.00000 0.00000 0.00000 0.00000 0.00000 146 15 H 1S 0.03166 0.01366 0.03071 0.02047 -0.00059 147 2S 0.00910 0.01297 0.03031 0.02006 -0.00073 148 16 H 1S 0.03540 0.00145 0.00301 0.05853 -0.00096 149 2S 0.01461 0.00129 0.00304 0.05651 -0.00231 150 17 H 1S 0.03281 0.01373 0.04690 0.00190 -0.00044 151 2S 0.00924 0.01308 0.04686 0.00180 -0.00017 152 18 H 1S -0.00321 -0.00390 -0.00002 -0.00135 -0.00000 153 2S -0.01074 -0.01128 -0.00007 -0.00456 -0.00030 154 19 H 1S -0.00043 -0.00038 0.00008 -0.00038 -0.00000 155 2S -0.00212 -0.00177 0.00028 -0.00032 -0.00006 156 20 H 1S -0.00006 0.00005 -0.00017 0.00004 -0.00000 157 2S -0.00020 0.00057 -0.00022 0.00032 0.00001 141 142 143 144 145 141 4YY 0.00105 142 4ZZ -0.00010 0.00151 143 4XY 0.00000 -0.00000 0.00141 144 4XZ -0.00000 0.00000 0.00000 0.00068 145 4YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00066 146 15 H 1S 0.00114 0.00001 0.00165 0.00112 0.00231 147 2S 0.00125 -0.00008 0.00039 0.00023 0.00047 148 16 H 1S -0.00079 0.00623 0.00003 0.00047 0.00069 149 2S -0.00201 0.00565 0.00001 0.00013 0.00015 150 17 H 1S 0.00360 -0.00080 0.00288 0.00013 0.00031 151 2S 0.00357 -0.00242 0.00078 0.00003 0.00006 152 18 H 1S -0.00000 0.00002 0.00000 0.00005 -0.00000 153 2S 0.00001 0.00044 0.00001 0.00025 -0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S -0.00000 0.00007 0.00001 -0.00003 -0.00000 156 20 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 157 2S 0.00001 -0.00001 -0.00005 -0.00000 0.00000 146 147 148 149 150 146 15 H 1S 0.21162 147 2S 0.10688 0.13762 148 16 H 1S -0.00040 -0.00592 0.21131 149 2S -0.00587 -0.01527 0.10894 0.14823 150 17 H 1S -0.00041 -0.00653 -0.00042 -0.00708 0.21031 151 2S -0.00699 -0.02058 -0.00722 -0.02352 0.11276 152 18 H 1S -0.00001 -0.00068 0.00000 0.00036 0.00000 153 2S -0.00061 -0.00253 0.00030 0.00385 0.00007 154 19 H 1S 0.00000 0.00001 -0.00000 0.00054 0.00000 155 2S 0.00000 0.00008 0.00051 0.00571 -0.00001 156 20 H 1S 0.00000 -0.00000 0.00000 -0.00002 -0.00000 157 2S -0.00000 -0.00016 -0.00000 -0.00053 0.00010 151 152 153 154 155 151 2S 0.16511 152 18 H 1S 0.00012 0.21323 153 2S 0.00061 0.10924 0.14911 154 19 H 1S -0.00001 0.00000 0.00038 0.21409 155 2S -0.00059 0.00037 0.00462 0.11349 0.16355 156 20 H 1S 0.00012 -0.00000 0.00000 -0.00046 -0.00799 157 2S 0.00238 0.00008 0.00005 -0.00783 -0.02617 156 157 156 20 H 1S 0.21410 157 2S 0.11570 0.17412 Gross orbital populations: Total Alpha Beta Spin 1 1 C 1S 1.99214 0.99606 0.99608 -0.00002 2 2S 0.68054 0.33790 0.34264 -0.00474 3 2PX 0.69965 0.34600 0.35366 -0.00766 4 2PY 0.70922 0.34908 0.36013 -0.01105 5 2PZ 0.71089 0.35046 0.36043 -0.00997 6 3S 0.60802 0.29777 0.31026 -0.01249 7 3PX 0.28615 0.13827 0.14788 -0.00961 8 3PY 0.33205 0.15679 0.17526 -0.01847 9 3PZ 0.31560 0.15301 0.16258 -0.00957 10 4XX -0.00113 -0.00028 -0.00085 0.00057 11 4YY 0.00729 0.00533 0.00196 0.00337 12 4ZZ 0.00478 0.00305 0.00173 0.00132 13 4XY 0.00581 0.00310 0.00271 0.00039 14 4XZ 0.00808 0.00418 0.00390 0.00028 15 4YZ 0.00340 0.00195 0.00145 0.00051 16 2 C 1S 1.99198 0.99600 0.99599 0.00001 17 2S 0.71473 0.35804 0.35669 0.00135 18 2PX 0.73232 0.36835 0.36397 0.00439 19 2PY 0.76402 0.38225 0.38177 0.00047 20 2PZ 0.56929 0.28555 0.28374 0.00180 21 3S 0.45687 0.22945 0.22742 0.00203 22 3PX 0.13582 0.06762 0.06820 -0.00058 23 3PY 0.08701 0.04368 0.04332 0.00036 24 3PZ 0.37362 0.18739 0.18622 0.00117 25 4XX 0.00195 0.00099 0.00096 0.00004 26 4YY 0.00073 0.00029 0.00044 -0.00014 27 4ZZ -0.02238 -0.01118 -0.01121 0.00003 28 4XY 0.01356 0.00671 0.00685 -0.00014 29 4XZ 0.00541 0.00269 0.00273 -0.00004 30 4YZ 0.00617 0.00308 0.00309 -0.00001 31 3 C 1S 1.99190 0.99595 0.99595 -0.00000 32 2S 0.70978 0.35482 0.35496 -0.00014 33 2PX 0.75652 0.37817 0.37835 -0.00018 34 2PY 0.74331 0.37178 0.37153 0.00025 35 2PZ 0.57681 0.28782 0.28899 -0.00116 36 3S 0.52610 0.26286 0.26324 -0.00038 37 3PX 0.20380 0.10178 0.10202 -0.00023 38 3PY 0.23733 0.11862 0.11870 -0.00008 39 3PZ 0.43698 0.21833 0.21865 -0.00032 40 4XX 0.00087 0.00045 0.00042 0.00002 41 4YY 0.01201 0.00602 0.00599 0.00003 42 4ZZ -0.02351 -0.01177 -0.01174 -0.00002 43 4XY 0.01189 0.00595 0.00594 0.00001 44 4XZ 0.00572 0.00287 0.00285 0.00003 45 4YZ 0.00252 0.00126 0.00126 0.00000 46 4 C 1S 1.99189 0.99595 0.99595 -0.00000 47 2S 0.71094 0.35550 0.35544 0.00006 48 2PX 0.75082 0.37545 0.37537 0.00008 49 2PY 0.75498 0.37752 0.37746 0.00006 50 2PZ 0.56922 0.28531 0.28391 0.00140 51 3S 0.51517 0.25773 0.25745 0.00028 52 3PX 0.20674 0.10340 0.10333 0.00007 53 3PY 0.19594 0.09800 0.09795 0.00005 54 3PZ 0.42139 0.21123 0.21016 0.00107 55 4XX 0.00369 0.00183 0.00185 -0.00002 56 4YY 0.00600 0.00299 0.00301 -0.00002 57 4ZZ -0.02346 -0.01172 -0.01175 0.00003 58 4XY 0.01419 0.00710 0.00709 0.00000 59 4XZ 0.00458 0.00228 0.00229 -0.00001 60 4YZ 0.00436 0.00217 0.00218 -0.00001 61 5 C 1S 1.99188 0.99594 0.99594 0.00000 62 2S 0.71027 0.35515 0.35512 0.00003 63 2PX 0.74421 0.37207 0.37214 -0.00007 64 2PY 0.75933 0.37962 0.37971 -0.00008 65 2PZ 0.57359 0.28635 0.28724 -0.00090 66 3S 0.51317 0.25646 0.25671 -0.00025 67 3PX 0.22821 0.11403 0.11418 -0.00015 68 3PY 0.17758 0.08874 0.08884 -0.00010 69 3PZ 0.42410 0.21168 0.21241 -0.00073 70 4XX 0.01247 0.00624 0.00623 0.00001 71 4YY 0.00043 0.00022 0.00021 0.00002 72 4ZZ -0.02340 -0.01171 -0.01169 -0.00002 73 4XY 0.01117 0.00559 0.00559 0.00000 74 4XZ 0.00261 0.00131 0.00130 0.00000 75 4YZ 0.00604 0.00303 0.00301 0.00002 76 6 C 1S 1.99189 0.99595 0.99595 -0.00000 77 2S 0.71094 0.35549 0.35545 0.00004 78 2PX 0.75596 0.37800 0.37797 0.00003 79 2PY 0.74973 0.37487 0.37486 0.00002 80 2PZ 0.56905 0.28527 0.28378 0.00149 81 3S 0.51639 0.25833 0.25805 0.00028 82 3PX 0.18422 0.09198 0.09224 -0.00026 83 3PY 0.22083 0.11039 0.11044 -0.00005 84 3PZ 0.42141 0.21142 0.20999 0.00143 85 4XX 0.00043 0.00021 0.00023 -0.00002 86 4YY 0.01238 0.00618 0.00620 -0.00002 87 4ZZ -0.02355 -0.01176 -0.01179 0.00003 88 4XY 0.01171 0.00587 0.00584 0.00004 89 4XZ 0.00589 0.00294 0.00296 -0.00002 90 4YZ 0.00256 0.00128 0.00128 -0.00000 91 7 C 1S 1.99190 0.99595 0.99595 -0.00000 92 2S 0.70930 0.35471 0.35460 0.00011 93 2PX 0.75281 0.37680 0.37601 0.00079 94 2PY 0.75060 0.37604 0.37456 0.00148 95 2PZ 0.57491 0.28659 0.28832 -0.00172 96 3S 0.52745 0.26361 0.26384 -0.00024 97 3PX 0.19977 0.09953 0.10025 -0.00072 98 3PY 0.22606 0.11413 0.11194 0.00219 99 3PZ 0.42916 0.21374 0.21541 -0.00167 100 4XX 0.00405 0.00204 0.00200 0.00004 101 4YY 0.00581 0.00294 0.00287 0.00007 102 4ZZ -0.02345 -0.01175 -0.01170 -0.00005 103 4XY 0.01433 0.00717 0.00716 0.00001 104 4XZ 0.00448 0.00226 0.00222 0.00004 105 4YZ 0.00415 0.00208 0.00207 0.00001 106 8 H 1S 0.53250 0.26636 0.26614 0.00022 107 2S 0.34156 0.17147 0.17009 0.00138 108 9 H 1S 0.53377 0.26689 0.26688 0.00002 109 2S 0.33945 0.16968 0.16977 -0.00008 110 10 H 1S 0.53365 0.26687 0.26678 0.00009 111 2S 0.34026 0.17020 0.17006 0.00014 112 11 H 1S 0.53378 0.26687 0.26691 -0.00004 113 2S 0.33976 0.16983 0.16993 -0.00010 114 12 H 1S 0.53400 0.26701 0.26699 0.00001 115 2S 0.34523 0.17287 0.17236 0.00052 116 13 C 1S 1.99178 0.99583 0.99595 -0.00013 117 2S 0.69989 0.36312 0.33677 0.02635 118 2PX 0.69911 0.36964 0.32947 0.04016 119 2PY 0.60354 0.51540 0.08814 0.42726 120 2PZ 0.69859 0.38763 0.31096 0.07666 121 3S 0.57129 0.32159 0.24970 0.07190 122 3PX 0.18931 0.10940 0.07991 0.02949 123 3PY 0.37601 0.33406 0.04194 0.29212 124 3PZ 0.25539 0.15588 0.09951 0.05637 125 4XX 0.00125 -0.00261 0.00385 -0.00646 126 4YY -0.01914 -0.00511 -0.01402 0.00891 127 4ZZ 0.00860 0.00166 0.00693 -0.00527 128 4XY 0.00521 0.00255 0.00266 -0.00011 129 4XZ 0.00870 0.00438 0.00432 0.00006 130 4YZ 0.00250 0.00092 0.00158 -0.00066 131 14 C 1S 1.99185 0.99592 0.99594 -0.00002 132 2S 0.67714 0.33633 0.34081 -0.00447 133 2PX 0.70444 0.34383 0.36061 -0.01678 134 2PY 0.70841 0.35055 0.35786 -0.00732 135 2PZ 0.71696 0.35616 0.36080 -0.00464 136 3S 0.63838 0.31168 0.32670 -0.01502 137 3PX 0.29887 0.13952 0.15935 -0.01982 138 3PY 0.35864 0.17206 0.18658 -0.01451 139 3PZ 0.35352 0.17393 0.17959 -0.00565 140 4XX -0.00152 -0.00105 -0.00047 -0.00057 141 4YY 0.00342 0.00179 0.00163 0.00017 142 4ZZ 0.00625 0.00355 0.00270 0.00085 143 4XY 0.01048 0.00800 0.00248 0.00552 144 4XZ 0.00535 0.00292 0.00243 0.00048 145 4YZ 0.00478 0.00242 0.00236 0.00006 146 15 H 1S 0.52527 0.26564 0.25963 0.00602 147 2S 0.32093 0.16225 0.15868 0.00357 148 16 H 1S 0.52433 0.26752 0.25681 0.01071 149 2S 0.32625 0.16774 0.15851 0.00923 150 17 H 1S 0.51989 0.27691 0.24297 0.03394 151 2S 0.32873 0.17944 0.14929 0.03015 152 18 H 1S 0.52815 0.25537 0.27278 -0.01741 153 2S 0.33623 0.15321 0.18302 -0.02981 154 19 H 1S 0.52560 0.26874 0.25686 0.01188 155 2S 0.32247 0.16612 0.15636 0.00976 156 20 H 1S 0.52502 0.27853 0.24649 0.03204 157 2S 0.32928 0.17828 0.15100 0.02728 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.139685 0.357112 -0.047206 0.006899 0.000374 0.006284 2 C 0.357112 4.638614 0.547013 -0.019932 -0.034470 -0.018169 3 C -0.047206 0.547013 4.977557 0.517481 -0.035987 -0.046284 4 C 0.006899 -0.019932 0.517481 4.872598 0.553496 -0.026583 5 C 0.000374 -0.034470 -0.035987 0.553496 4.855458 0.546872 6 C 0.006284 -0.018169 -0.046284 -0.026583 0.546872 4.871402 7 C -0.070001 0.538144 -0.041628 -0.047164 -0.035041 0.524125 8 H -0.010181 -0.046571 0.006523 0.000357 0.004818 -0.045707 9 H -0.000187 0.003535 0.000888 0.004607 -0.043464 0.356321 10 H 0.000008 0.000722 0.004661 -0.043320 0.358307 -0.043225 11 H -0.000175 0.003708 -0.039561 0.355938 -0.043596 0.004613 12 H -0.011363 -0.042890 0.350992 -0.047668 0.004839 0.000349 13 C 0.382577 -0.036569 0.000767 -0.000162 0.000016 0.000232 14 C -0.039534 0.002568 -0.000117 0.000002 -0.000000 0.000003 15 H 0.003511 -0.000077 0.000001 -0.000000 0.000000 -0.000000 16 H -0.005380 0.000134 -0.000002 -0.000000 0.000000 -0.000001 17 H -0.001531 -0.000032 0.000004 -0.000000 0.000000 0.000000 18 H -0.050190 -0.000179 0.000982 -0.000039 -0.000013 -0.000109 19 H 0.353915 -0.024994 0.000928 -0.000234 0.000032 -0.000113 20 H 0.347884 -0.036574 -0.005002 0.000172 0.000004 -0.000157 7 8 9 10 11 12 1 C -0.070001 -0.010181 -0.000187 0.000008 -0.000175 -0.011363 2 C 0.538144 -0.046571 0.003535 0.000722 0.003708 -0.042890 3 C -0.041628 0.006523 0.000888 0.004661 -0.039561 0.350992 4 C -0.047164 0.000357 0.004607 -0.043320 0.355938 -0.047668 5 C -0.035041 0.004818 -0.043464 0.358307 -0.043596 0.004839 6 C 0.524125 -0.045707 0.356321 -0.043225 0.004613 0.000349 7 C 4.978277 0.353359 -0.040108 0.004632 0.000828 0.006818 8 H 0.353359 0.607705 -0.005531 -0.000178 0.000018 -0.000174 9 H -0.040108 -0.005531 0.602868 -0.005536 -0.000192 0.000018 10 H 0.004632 -0.000178 -0.005536 0.603653 -0.005632 -0.000181 11 H 0.000828 0.000018 -0.000192 -0.005632 0.603266 -0.005670 12 H 0.006818 -0.000174 0.000018 -0.000181 -0.005670 0.614963 13 C -0.002077 0.008446 -0.000001 0.000000 0.000001 0.000056 14 C 0.000527 -0.000352 -0.000000 0.000000 -0.000000 -0.000008 15 H -0.000015 0.000006 0.000000 -0.000000 0.000000 0.000000 16 H -0.000019 -0.000030 0.000000 -0.000000 -0.000000 -0.000000 17 H 0.000006 0.000012 0.000000 0.000000 0.000000 0.000002 18 H 0.000174 0.000284 0.000002 -0.000000 0.000000 0.000017 19 H -0.005425 0.001024 0.000000 -0.000000 0.000003 0.000057 20 H 0.005921 0.000238 0.000003 -0.000000 -0.000010 0.009073 13 14 15 16 17 18 1 C 0.382577 -0.039534 0.003511 -0.005380 -0.001531 -0.050190 2 C -0.036569 0.002568 -0.000077 0.000134 -0.000032 -0.000179 3 C 0.000767 -0.000117 0.000001 -0.000002 0.000004 0.000982 4 C -0.000162 0.000002 -0.000000 -0.000000 -0.000000 -0.000039 5 C 0.000016 -0.000000 0.000000 0.000000 0.000000 -0.000013 6 C 0.000232 0.000003 -0.000000 -0.000001 0.000000 -0.000109 7 C -0.002077 0.000527 -0.000015 -0.000019 0.000006 0.000174 8 H 0.008446 -0.000352 0.000006 -0.000030 0.000012 0.000284 9 H -0.000001 -0.000000 0.000000 0.000000 0.000000 0.000002 10 H 0.000000 0.000000 -0.000000 -0.000000 0.000000 -0.000000 11 H 0.000001 -0.000000 0.000000 -0.000000 0.000000 0.000000 12 H 0.000056 -0.000008 0.000000 -0.000000 0.000002 0.000017 13 C 5.197483 0.370298 -0.026161 -0.040162 -0.042243 0.371489 14 C 0.370298 5.088024 0.371811 0.373601 0.361410 -0.045863 15 H -0.026161 0.371811 0.562997 -0.027461 -0.034506 -0.003825 16 H -0.040162 0.373601 -0.027461 0.577419 -0.038249 0.004511 17 H -0.042243 0.361410 -0.034506 -0.038249 0.600946 0.000804 18 H 0.371489 -0.045863 -0.003825 0.004511 0.000804 0.580828 19 H -0.045079 -0.005815 0.000084 0.006762 -0.000612 0.005375 20 H -0.046880 0.000423 -0.000160 -0.000550 0.002601 0.000130 19 20 1 C 0.353915 0.347884 2 C -0.024994 -0.036574 3 C 0.000928 -0.005002 4 C -0.000234 0.000172 5 C 0.000032 0.000004 6 C -0.000113 -0.000157 7 C -0.005425 0.005921 8 H 0.001024 0.000238 9 H 0.000000 0.000003 10 H -0.000000 -0.000000 11 H 0.000003 -0.000010 12 H 0.000057 0.009073 13 C -0.045079 -0.046880 14 C -0.005815 0.000423 15 H 0.000084 -0.000160 16 H 0.006762 -0.000550 17 H -0.000612 0.002601 18 H 0.005375 0.000130 19 H 0.604606 -0.042438 20 H -0.042438 0.619620 Atomic-Atomic Spin Densities. 1 2 3 4 5 6 1 C -0.070688 0.007130 0.000128 -0.000022 -0.000009 -0.000108 2 C 0.007130 0.036634 -0.003707 0.000125 0.000123 -0.000824 3 C 0.000128 -0.003707 0.000302 -0.000617 -0.000060 0.000131 4 C -0.000022 0.000125 -0.000617 0.003282 0.000499 -0.000106 5 C -0.000009 0.000123 -0.000060 0.000499 -0.002300 -0.000607 6 C -0.000108 -0.000824 0.000131 -0.000106 -0.000607 0.005249 7 C -0.000675 -0.011287 0.002348 -0.000172 0.000066 -0.001725 8 H -0.001041 -0.002362 0.000233 -0.000018 -0.000011 0.000678 9 H 0.000002 -0.000045 0.000005 -0.000001 0.000050 0.000250 10 H -0.000000 -0.000023 0.000014 -0.000021 0.000040 -0.000094 11 H 0.000002 -0.000017 -0.000048 0.000086 0.000002 -0.000001 12 H 0.000066 -0.000885 -0.000868 0.000020 -0.000015 -0.000006 13 C -0.025029 -0.013240 0.000461 -0.000010 0.000004 0.000200 14 C -0.001863 0.000277 0.000003 -0.000000 -0.000000 -0.000001 15 H 0.000153 0.000017 -0.000000 0.000000 -0.000000 -0.000000 16 H 0.001197 0.000114 -0.000003 0.000000 -0.000000 -0.000000 17 H -0.000468 -0.000086 0.000001 0.000000 0.000000 0.000000 18 H 0.002099 0.001551 -0.000070 0.000000 -0.000002 0.000003 19 H 0.005644 0.006669 -0.000430 0.000006 0.000002 -0.000070 20 H 0.006336 -0.009428 -0.000000 -0.000001 -0.000001 0.000013 7 8 9 10 11 12 1 C -0.000675 -0.001041 0.000002 -0.000000 0.000002 0.000066 2 C -0.011287 -0.002362 -0.000045 -0.000023 -0.000017 -0.000885 3 C 0.002348 0.000233 0.000005 0.000014 -0.000048 -0.000868 4 C -0.000172 -0.000018 -0.000001 -0.000021 0.000086 0.000020 5 C 0.000066 -0.000011 0.000050 0.000040 0.000002 -0.000015 6 C -0.001725 0.000678 0.000250 -0.000094 -0.000001 -0.000006 7 C 0.011896 -0.002341 -0.000258 0.000003 0.000004 0.000294 8 H -0.002341 0.000992 0.000090 0.000003 0.000000 0.000010 9 H -0.000258 0.000090 -0.000169 0.000008 0.000000 0.000000 10 H 0.000003 0.000003 0.000008 0.000289 0.000005 0.000002 11 H 0.000004 0.000000 0.000000 0.000005 -0.000195 0.000023 12 H 0.000294 0.000010 0.000000 0.000002 0.000023 0.000583 13 C 0.002210 0.006354 0.000001 0.000000 0.000000 -0.000152 14 C -0.000065 -0.000076 0.000000 -0.000000 -0.000000 -0.000000 15 H -0.000003 -0.000018 -0.000000 -0.000000 -0.000000 -0.000000 16 H -0.000019 -0.000065 -0.000000 -0.000000 -0.000000 -0.000001 17 H 0.000015 0.000012 0.000000 0.000000 0.000000 0.000002 18 H -0.000037 -0.000258 -0.000000 -0.000000 -0.000000 -0.000017 19 H -0.001648 -0.000803 -0.000000 -0.000000 -0.000000 -0.000138 20 H 0.001728 0.000219 0.000000 0.000000 0.000001 0.001610 13 14 15 16 17 18 1 C -0.025029 -0.001863 0.000153 0.001197 -0.000468 0.002099 2 C -0.013240 0.000277 0.000017 0.000114 -0.000086 0.001551 3 C 0.000461 0.000003 -0.000000 -0.000003 0.000001 -0.000070 4 C -0.000010 -0.000000 0.000000 0.000000 0.000000 0.000000 5 C 0.000004 -0.000000 -0.000000 -0.000000 0.000000 -0.000002 6 C 0.000200 -0.000001 -0.000000 -0.000000 0.000000 0.000003 7 C 0.002210 -0.000065 -0.000003 -0.000019 0.000015 -0.000037 8 H 0.006354 -0.000076 -0.000018 -0.000065 0.000012 -0.000258 9 H 0.000001 0.000000 -0.000000 -0.000000 0.000000 -0.000000 10 H 0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 11 H 0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 12 H -0.000152 -0.000000 -0.000000 -0.000001 0.000002 -0.000017 13 C 1.171149 -0.022202 -0.006757 -0.012867 -0.030698 -0.008696 14 C -0.022202 -0.079421 0.005850 0.006467 0.006151 0.002271 15 H -0.006757 0.005850 0.014516 0.004287 -0.009520 0.001042 16 H -0.012867 0.006467 0.004287 0.034780 -0.015885 0.000298 17 H -0.030698 0.006151 -0.009520 -0.015885 0.113831 -0.001368 18 H -0.008696 0.002271 0.001042 0.000298 -0.001368 -0.043114 19 H -0.013950 0.001028 0.000161 0.002815 -0.001386 0.000371 20 H -0.030113 -0.000159 -0.000138 -0.001174 0.003487 -0.001292 19 20 1 C 0.005644 0.006336 2 C 0.006669 -0.009428 3 C -0.000430 -0.000000 4 C 0.000006 -0.000001 5 C 0.000002 -0.000001 6 C -0.000070 0.000013 7 C -0.001648 0.001728 8 H -0.000803 0.000219 9 H -0.000000 0.000000 10 H -0.000000 0.000000 11 H -0.000000 0.000001 12 H -0.000138 0.001610 13 C -0.013950 -0.030113 14 C 0.001028 -0.000159 15 H 0.000161 -0.000138 16 H 0.002815 -0.001174 17 H -0.001386 0.003487 18 H 0.000371 -0.001292 19 H 0.039912 -0.016537 20 H -0.016537 0.104763 Mulliken charges and spin densities: 1 2 1 C -0.362500 -0.077145 2 C 0.168908 0.010737 3 C -0.192008 -0.002175 4 C -0.126449 0.003049 5 C -0.131645 -0.002217 6 C -0.129852 0.002981 7 C -0.171332 0.000335 8 H 0.125933 0.001597 9 H 0.126780 -0.000067 10 H 0.126090 0.000225 11 H 0.126460 -0.000137 12 H 0.120769 0.000530 13 C -0.092033 1.016664 14 C -0.476978 -0.081741 15 H 0.153796 0.009590 16 H 0.149425 0.019943 17 H 0.151387 0.064090 18 H 0.135621 -0.047219 19 H 0.151923 0.021646 20 H 0.145704 0.059315 Sum of Mulliken charges = -0.00000 1.00000 Mulliken charges and spin densities with hydrogens summed into heavy atoms: 1 2 1 C -0.064872 0.003816 2 C 0.168908 0.010737 3 C -0.071239 -0.001646 4 C 0.000011 0.002912 5 C -0.005556 -0.001992 6 C -0.003072 0.002914 7 C -0.045399 0.001932 13 C 0.043589 0.969445 14 C -0.022370 0.011882 Electronic spatial extent (au): = 1550.6265 Charge= -0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.4306 Y= -0.1710 Z= 0.0333 Tot= 0.4645 Quadrupole moment (field-independent basis, Debye-Ang): XX= -50.0642 YY= -51.2129 ZZ= -56.5654 XY= -0.3423 XZ= 1.0994 YZ= 0.2605 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 2.5500 YY= 1.4012 ZZ= -3.9512 XY= -0.3423 XZ= 1.0994 YZ= 0.2605 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -8.1966 YYY= -0.4996 ZZZ= 0.1594 XYY= -4.7766 XXY= 0.5686 XXZ= -3.8463 XZZ= 7.0108 YZZ= 0.6794 YYZ= -0.0995 XYZ= -1.3211 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1618.3805 YYYY= -323.3970 ZZZZ= -106.7259 XXXY= 0.3665 XXXZ= 10.1780 YYYX= -3.7957 YYYZ= 2.8411 ZZZX= 0.4946 ZZZY= -1.1330 XXYY= -323.8451 XXZZ= -307.5115 YYZZ= -80.2378 XXYZ= -0.3178 YYXZ= 0.9144 ZZXY= 3.1366 N-N= 3.979688302862D+02 E-N=-1.604347472535D+03 KE= 3.460443897934D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -10.190508 15.881114 2 O -10.188916 15.872515 3 O -10.188462 15.886000 4 O -10.184252 15.875797 5 O -10.184097 15.878604 6 O -10.182897 15.884561 7 O -10.182044 15.882263 8 O -10.180908 15.881588 9 O -10.179666 15.882968 10 O -0.849101 1.471994 11 O -0.791934 1.421554 12 O -0.742096 1.516895 13 O -0.736383 1.593456 14 O -0.679485 1.482199 15 O -0.600150 1.411778 16 O -0.589001 1.474021 17 O -0.562386 1.306952 18 O -0.506289 0.990560 19 O -0.458763 1.159383 20 O -0.454392 1.286948 21 O -0.429743 1.218786 22 O -0.422613 1.053960 23 O -0.413246 1.204927 24 O -0.409751 1.130958 25 O -0.386873 1.162005 26 O -0.372213 1.296708 27 O -0.357587 1.062776 28 O -0.343881 1.063117 29 O -0.333366 1.389175 30 O -0.327590 1.489859 31 O -0.243471 1.116148 32 O -0.237472 1.165588 33 O -0.183116 1.267818 34 V 0.004220 1.351963 35 V 0.007436 1.375290 36 V 0.097468 0.932209 37 V 0.109561 0.975527 38 V 0.128440 0.937340 39 V 0.134717 0.966516 40 V 0.152058 1.235080 41 V 0.158019 1.210249 42 V 0.170166 1.161296 43 V 0.175038 1.003965 44 V 0.182323 1.144169 45 V 0.190244 1.208397 46 V 0.194108 1.192727 47 V 0.200128 1.202753 48 V 0.252500 1.972248 49 V 0.262316 1.434522 50 V 0.292097 1.396160 51 V 0.311885 1.494256 52 V 0.327520 1.538921 53 V 0.333266 1.611677 54 V 0.355330 1.672972 55 V 0.468687 1.560556 56 V 0.508524 2.169611 57 V 0.516429 1.883424 58 V 0.532925 1.929178 59 V 0.546309 2.337502 60 V 0.553121 1.855816 61 V 0.568372 1.916394 62 V 0.574831 1.932388 63 V 0.581362 2.263929 64 V 0.593766 2.133948 65 V 0.602248 2.137394 66 V 0.614544 2.171017 67 V 0.618401 2.129132 68 V 0.621526 2.153456 69 V 0.634624 2.000879 70 V 0.657217 2.171719 71 V 0.664134 2.111651 72 V 0.689425 2.328178 73 V 0.707767 2.197026 74 V 0.723017 2.332170 75 V 0.768854 2.266571 76 V 0.798522 2.497026 77 V 0.803869 2.393916 78 V 0.832711 2.699362 79 V 0.842657 2.873377 80 V 0.848545 2.679115 81 V 0.858102 2.517269 82 V 0.866897 2.528083 83 V 0.888122 2.491656 84 V 0.894497 2.578565 85 V 0.916931 2.545870 86 V 0.926225 2.540346 87 V 0.929494 2.493950 88 V 0.952456 2.640010 89 V 0.954177 2.635687 90 V 0.971939 2.556990 91 V 0.992443 2.445443 92 V 1.033095 2.464264 93 V 1.088384 2.182321 94 V 1.111222 2.173932 95 V 1.152592 2.345302 96 V 1.175139 2.364399 97 V 1.196542 2.353493 98 V 1.224393 2.390217 99 V 1.281850 2.413237 100 V 1.325462 2.350629 101 V 1.414833 2.508312 102 V 1.435194 2.552519 103 V 1.453433 2.535043 104 V 1.462630 2.585182 105 V 1.473916 2.663274 106 V 1.498427 2.684972 107 V 1.501308 2.672402 108 V 1.521778 2.691655 109 V 1.555479 2.728936 110 V 1.741542 2.961288 111 V 1.770339 2.983135 112 V 1.799001 3.129485 113 V 1.823803 3.081527 114 V 1.825287 3.191956 115 V 1.895731 3.138521 116 V 1.908340 3.263956 117 V 1.925760 3.196233 118 V 1.929040 3.282320 119 V 1.981668 3.476053 120 V 1.996394 3.367177 121 V 2.037316 3.411731 122 V 2.068657 3.470317 123 V 2.072309 3.534668 124 V 2.123717 3.546209 125 V 2.140788 3.506588 126 V 2.152787 3.358597 127 V 2.182039 3.518190 128 V 2.212172 3.494576 129 V 2.221064 3.588269 130 V 2.270012 3.577506 131 V 2.310423 3.573321 132 V 2.317183 3.563278 133 V 2.341170 3.723588 134 V 2.374499 3.695591 135 V 2.426538 3.792524 136 V 2.480436 3.888796 137 V 2.571577 4.166832 138 V 2.591533 4.046034 139 V 2.647061 4.078878 140 V 2.682467 4.222141 141 V 2.693109 4.380578 142 V 2.732702 4.307394 143 V 2.746299 4.528852 144 V 2.761142 4.546831 145 V 2.806594 4.546544 146 V 2.908141 4.491599 147 V 3.069226 4.955498 148 V 3.415544 5.248061 149 V 4.094070 10.185123 150 V 4.107494 10.189841 151 V 4.124729 10.181294 152 V 4.150257 10.232594 153 V 4.302934 10.279623 154 V 4.341283 10.163687 155 V 4.353722 10.124425 156 V 4.462345 10.208139 157 V 4.704698 10.416757 Orbital energies and kinetic energies (beta): 1 2 1 O -10.190260 15.881009 2 O -10.189394 15.884839 3 O -10.184220 15.875665 4 O -10.184061 15.878651 5 O -10.182912 15.884659 6 O -10.182076 15.882294 7 O -10.180892 15.881630 8 O -10.180571 15.881712 9 O -10.175184 15.894568 10 O -0.848420 1.475082 11 O -0.781755 1.432502 12 O -0.736970 1.568783 13 O -0.734662 1.509082 14 O -0.677733 1.488182 15 O -0.598610 1.424416 16 O -0.583390 1.479899 17 O -0.548301 1.257601 18 O -0.505432 0.993420 19 O -0.455291 1.232501 20 O -0.451971 1.284680 21 O -0.427277 1.197459 22 O -0.414047 1.120071 23 O -0.411887 1.146932 24 O -0.402342 1.088542 25 O -0.383239 1.156629 26 O -0.367258 1.282884 27 O -0.354960 1.048757 28 O -0.341180 1.091955 29 O -0.332217 1.381810 30 O -0.326297 1.489285 31 O -0.243326 1.116893 32 O -0.236070 1.169024 33 V -0.035158 1.077715 34 V 0.005042 1.354410 35 V 0.008595 1.374356 36 V 0.098672 0.936672 37 V 0.111050 0.968931 38 V 0.130937 0.945255 39 V 0.136809 0.970363 40 V 0.156301 1.118782 41 V 0.160212 1.304486 42 V 0.171287 1.174997 43 V 0.180271 1.005832 44 V 0.186125 1.175865 45 V 0.193518 1.156709 46 V 0.197381 1.160309 47 V 0.202377 1.197626 48 V 0.254871 1.931583 49 V 0.272783 1.494145 50 V 0.298373 1.384326 51 V 0.312098 1.498886 52 V 0.328320 1.532116 53 V 0.335795 1.628924 54 V 0.356047 1.671309 55 V 0.471896 1.553568 56 V 0.509335 2.176053 57 V 0.519182 1.901507 58 V 0.535966 1.921195 59 V 0.553840 2.078223 60 V 0.554675 2.163739 61 V 0.570718 1.978230 62 V 0.582813 2.135235 63 V 0.592672 2.058327 64 V 0.600836 1.996666 65 V 0.603053 2.161263 66 V 0.617690 2.090905 67 V 0.619437 2.302237 68 V 0.627833 2.132058 69 V 0.635959 2.019548 70 V 0.660209 2.211708 71 V 0.667630 2.116125 72 V 0.697620 2.241162 73 V 0.716157 2.405835 74 V 0.729495 2.277474 75 V 0.774311 2.304713 76 V 0.802915 2.458001 77 V 0.811112 2.509818 78 V 0.835223 2.696783 79 V 0.842871 2.873267 80 V 0.849416 2.651639 81 V 0.861944 2.497477 82 V 0.868127 2.520407 83 V 0.893175 2.484860 84 V 0.902350 2.562750 85 V 0.920061 2.562945 86 V 0.929253 2.557800 87 V 0.935096 2.514017 88 V 0.953348 2.631190 89 V 0.958119 2.630829 90 V 0.974550 2.561813 91 V 0.996610 2.474622 92 V 1.042355 2.394405 93 V 1.090242 2.180777 94 V 1.112346 2.181012 95 V 1.154841 2.347143 96 V 1.177895 2.368487 97 V 1.199451 2.348272 98 V 1.227766 2.385227 99 V 1.285014 2.415099 100 V 1.328677 2.343440 101 V 1.418436 2.506446 102 V 1.436055 2.556539 103 V 1.454814 2.528903 104 V 1.465364 2.587624 105 V 1.487617 2.661779 106 V 1.500926 2.678934 107 V 1.503181 2.687597 108 V 1.521948 2.691590 109 V 1.565257 2.718921 110 V 1.753432 2.992528 111 V 1.774604 2.987016 112 V 1.801025 3.120095 113 V 1.826800 3.110197 114 V 1.828839 3.140751 115 V 1.896441 3.137573 116 V 1.910681 3.261866 117 V 1.927059 3.237237 118 V 1.969164 3.270512 119 V 1.982841 3.472947 120 V 2.000350 3.372104 121 V 2.043393 3.462412 122 V 2.075477 3.532285 123 V 2.080894 3.459773 124 V 2.133215 3.513638 125 V 2.141359 3.505446 126 V 2.153949 3.372017 127 V 2.193654 3.525339 128 V 2.213789 3.511901 129 V 2.234741 3.551126 130 V 2.272741 3.575784 131 V 2.311300 3.573842 132 V 2.317347 3.564219 133 V 2.344198 3.719012 134 V 2.380681 3.694055 135 V 2.443501 3.781132 136 V 2.491459 3.873362 137 V 2.574769 4.159227 138 V 2.592422 4.055688 139 V 2.649754 4.045946 140 V 2.685657 4.255131 141 V 2.702896 4.384094 142 V 2.733536 4.304308 143 V 2.746410 4.528235 144 V 2.761724 4.543970 145 V 2.808430 4.543576 146 V 2.908962 4.491236 147 V 3.069672 4.954723 148 V 3.415700 5.248012 149 V 4.095030 10.192933 150 V 4.116259 10.202647 151 V 4.129313 10.179033 152 V 4.153263 10.225208 153 V 4.303351 10.279064 154 V 4.341535 10.164505 155 V 4.362923 10.121891 156 V 4.469393 10.200912 157 V 4.704977 10.416324 Total kinetic energy from orbitals= 3.460443897934D+02 Isotropic Fermi Contact Couplings Atom a.u. MegaHertz Gauss 10(-4) cm-1 1 C(13) -0.02483 -27.90864 -9.95850 -9.30932 2 C(13) 0.01111 12.49409 4.45820 4.16758 3 C(13) -0.00079 -0.88997 -0.31756 -0.29686 4 C(13) 0.00024 0.26804 0.09565 0.08941 5 C(13) 0.00032 0.36036 0.12859 0.12020 6 C(13) 0.00024 0.26602 0.09492 0.08874 7 C(13) -0.00023 -0.25884 -0.09236 -0.08634 8 H(1) 0.00025 1.11037 0.39621 0.37038 9 H(1) 0.00002 0.09632 0.03437 0.03213 10 H(1) 0.00008 0.33576 0.11981 0.11200 11 H(1) -0.00003 -0.14012 -0.05000 -0.04674 12 H(1) 0.00002 0.07326 0.02614 0.02444 13 C(13) 0.13355 150.13286 53.57114 50.07893 14 C(13) -0.02617 -29.42291 -10.49882 -9.81442 15 H(1) 0.00531 23.75642 8.47688 7.92429 16 H(1) 0.00945 42.26043 15.07957 14.09656 17 H(1) 0.03022 135.06588 48.19486 45.05313 18 H(1) -0.01399 -62.54281 -22.31683 -20.86204 19 H(1) 0.01052 47.00817 16.77368 15.68024 20 H(1) 0.02863 127.98911 45.66970 42.69257 -------------------------------------------------------- Center ---- Spin Dipole Couplings ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom 0.000033 0.003409 -0.003442 2 Atom 0.017637 -0.010632 -0.007005 3 Atom 0.005045 0.000578 -0.005623 4 Atom 0.000841 -0.002404 0.001563 5 Atom 0.002881 0.000025 -0.002906 6 Atom 0.001517 -0.002772 0.001255 7 Atom 0.009976 0.000849 -0.010825 8 Atom 0.007179 -0.001300 -0.005879 9 Atom 0.001491 -0.000362 -0.001128 10 Atom 0.001107 -0.000459 -0.000648 11 Atom 0.001230 -0.000451 -0.000779 12 Atom 0.002975 -0.000211 -0.002764 13 Atom -0.454382 0.789928 -0.335546 14 Atom 0.018521 -0.005758 -0.012763 15 Atom 0.014488 -0.005685 -0.008804 16 Atom 0.008236 -0.008171 -0.000065 17 Atom 0.012905 -0.003843 -0.009062 18 Atom -0.050615 -0.010658 0.061273 19 Atom -0.006936 -0.005963 0.012899 20 Atom -0.003703 0.007806 -0.004103 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.012644 -0.010480 -0.007540 2 Atom 0.002268 -0.005798 -0.001397 3 Atom 0.001840 -0.000744 0.001248 4 Atom 0.000901 -0.000772 -0.000132 5 Atom -0.000061 0.001130 0.000340 6 Atom -0.001207 -0.000468 0.000059 7 Atom 0.001340 -0.003443 -0.000803 8 Atom -0.007742 -0.004384 0.003394 9 Atom -0.001414 -0.000237 0.000000 10 Atom -0.000108 0.000004 0.000028 11 Atom 0.000864 0.000033 0.000017 12 Atom 0.003246 0.000047 -0.000491 13 Atom -0.310840 -0.116656 0.496992 14 Atom -0.003657 0.005563 0.001991 15 Atom 0.007799 -0.004213 -0.000592 16 Atom 0.001406 0.012723 0.001136 17 Atom -0.007416 0.002025 0.000474 18 Atom -0.021013 0.036807 -0.006473 19 Atom 0.002209 -0.008518 -0.007554 20 Atom 0.006671 -0.006076 -0.008137 -------------------------------------------------------- --------------------------------------------------------------------------------- Anisotropic Spin Dipole Couplings in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.0132 -1.767 -0.630 -0.589 0.7577 -0.3191 0.5693 1 C(13) Bbb -0.0079 -1.053 -0.376 -0.351 -0.2169 0.6996 0.6808 Bcc 0.0210 2.820 1.006 0.941 0.6155 0.6394 -0.4609 Baa -0.0111 -1.491 -0.532 -0.497 -0.0137 0.9524 0.3045 2 C(13) Bbb -0.0080 -1.078 -0.385 -0.360 0.2352 -0.2929 0.9268 Bcc 0.0191 2.569 0.917 0.857 0.9718 0.0843 -0.2200 Baa -0.0060 -0.802 -0.286 -0.267 0.1012 -0.2135 0.9717 3 C(13) Bbb 0.0003 0.035 0.013 0.012 -0.3170 0.9189 0.2349 Bcc 0.0057 0.767 0.274 0.256 0.9430 0.3318 -0.0253 Baa -0.0026 -0.354 -0.126 -0.118 -0.2540 0.9671 -0.0164 4 C(13) Bbb 0.0005 0.067 0.024 0.022 0.7771 0.2142 0.5919 Bcc 0.0021 0.287 0.102 0.096 -0.5759 -0.1376 0.8059 Baa -0.0032 -0.424 -0.151 -0.141 -0.1840 -0.1079 0.9770 5 C(13) Bbb 0.0001 0.008 0.003 0.003 -0.0210 0.9942 0.1058 Bcc 0.0031 0.415 0.148 0.138 0.9827 0.0010 0.1852 Baa -0.0031 -0.415 -0.148 -0.138 0.2548 0.9669 0.0144 6 C(13) Bbb 0.0010 0.134 0.048 0.045 0.4679 -0.1363 0.8732 Bcc 0.0021 0.281 0.100 0.094 0.8462 -0.2158 -0.4871 Baa -0.0114 -1.531 -0.546 -0.511 0.1559 0.0476 0.9866 7 C(13) Bbb 0.0007 0.089 0.032 0.030 -0.1510 0.9882 -0.0238 Bcc 0.0107 1.442 0.514 0.481 0.9762 0.1453 -0.1612 Baa -0.0077 -4.105 -1.465 -1.369 0.0450 -0.4253 0.9039 8 H(1) Bbb -0.0056 -3.014 -1.075 -1.005 0.5677 0.7554 0.3271 Bcc 0.0133 7.119 2.540 2.375 0.8220 -0.4984 -0.2755 Baa -0.0012 -0.665 -0.237 -0.222 0.3630 0.5805 0.7289 9 H(1) Bbb -0.0010 -0.545 -0.194 -0.182 -0.3089 -0.6631 0.6819 Bcc 0.0023 1.210 0.432 0.403 0.8791 -0.4726 -0.0614 Baa -0.0007 -0.348 -0.124 -0.116 -0.0115 -0.1505 0.9885 10 H(1) Bbb -0.0005 -0.246 -0.088 -0.082 0.0674 0.9862 0.1510 Bcc 0.0011 0.594 0.212 0.198 0.9977 -0.0683 0.0012 Baa -0.0008 -0.435 -0.155 -0.145 -0.3871 0.9195 -0.0682 11 H(1) Bbb -0.0008 -0.416 -0.148 -0.139 -0.0409 0.0567 0.9976 Bcc 0.0016 0.851 0.304 0.284 0.9211 0.3889 0.0156 Baa -0.0030 -1.610 -0.575 -0.537 -0.2391 0.4290 0.8711 12 H(1) Bbb -0.0020 -1.059 -0.378 -0.353 -0.4740 0.7314 -0.4903 Bcc 0.0050 2.670 0.953 0.891 0.8474 0.5302 -0.0284 Baa -0.5278 -70.823 -25.271 -23.624 0.9560 0.2694 -0.1162 13 C(13) Bbb -0.5234 -70.237 -25.062 -23.428 0.1992 -0.3052 0.9312 Bcc 1.0512 141.059 50.333 47.052 -0.2153 0.9134 0.3455 Baa -0.0145 -1.948 -0.695 -0.650 -0.1902 -0.2925 0.9371 14 C(13) Bbb -0.0054 -0.723 -0.258 -0.241 0.0727 0.9478 0.3106 Bcc 0.0199 2.670 0.953 0.891 0.9790 -0.1272 0.1590 Baa -0.0099 -5.267 -1.879 -1.757 0.2774 -0.3929 0.8767 15 H(1) Bbb -0.0079 -4.235 -1.511 -1.413 -0.2150 0.8640 0.4552 Bcc 0.0178 9.502 3.390 3.169 0.9364 0.3148 -0.1552 Baa -0.0093 -4.966 -1.772 -1.656 -0.5798 -0.0918 0.8096 16 H(1) Bbb -0.0083 -4.422 -1.578 -1.475 -0.1104 0.9933 0.0336 Bcc 0.0176 9.388 3.350 3.131 0.8072 0.0699 0.5861 Baa -0.0096 -5.140 -1.834 -1.714 -0.1878 -0.3167 0.9298 17 H(1) Bbb -0.0062 -3.310 -1.181 -1.104 0.3038 0.8815 0.3616 Bcc 0.0158 8.450 3.015 2.819 0.9341 -0.3503 0.0693 Baa -0.0676 -36.075 -12.872 -12.033 0.9180 0.3107 -0.2466 18 H(1) Bbb -0.0065 -3.468 -1.238 -1.157 -0.2563 0.9391 0.2289 Bcc 0.0741 39.543 14.110 13.190 0.3027 -0.1469 0.9417 Baa -0.0102 -5.468 -1.951 -1.824 0.8707 0.2727 0.4094 19 H(1) Bbb -0.0083 -4.439 -1.584 -1.481 -0.3689 0.9125 0.1768 Bcc 0.0186 9.907 3.535 3.305 -0.3253 -0.3049 0.8951 Baa -0.0101 -5.412 -1.931 -1.805 0.6051 0.1311 0.7853 20 H(1) Bbb -0.0057 -3.046 -1.087 -1.016 0.6823 -0.5937 -0.4266 Bcc 0.0159 8.458 3.018 2.821 0.4103 0.7939 -0.4487 --------------------------------------------------------------------------------- ******************************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: C9H11 2-propylbenzyl radical Storage needed: 75324 in NPA, 99482 in NBO ( 104855400 available) NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy -------------------------------------------- 1 C 1 S Cor( 1S) 1.99924 2 C 1 S Val( 2S) 1.03630 3 C 1 S Ryd( 3S) 0.00079 4 C 1 S Ryd( 4S) 0.00002 5 C 1 px Val( 2p) 1.06535 6 C 1 px Ryd( 3p) 0.00263 7 C 1 py Val( 2p) 1.21481 8 C 1 py Ryd( 3p) 0.00352 9 C 1 pz Val( 2p) 1.20018 10 C 1 pz Ryd( 3p) 0.00150 11 C 1 dxy Ryd( 3d) 0.00047 12 C 1 dxz Ryd( 3d) 0.00070 13 C 1 dyz Ryd( 3d) 0.00034 14 C 1 dx2y2 Ryd( 3d) 0.00115 15 C 1 dz2 Ryd( 3d) 0.00110 16 C 2 S Cor( 1S) 1.99902 17 C 2 S Val( 2S) 0.88148 18 C 2 S Ryd( 3S) 0.00080 19 C 2 S Ryd( 4S) 0.00005 20 C 2 px Val( 2p) 1.05513 21 C 2 px Ryd( 3p) 0.00524 22 C 2 py Val( 2p) 1.08774 23 C 2 py Ryd( 3p) 0.00461 24 C 2 pz Val( 2p) 0.99035 25 C 2 pz Ryd( 3p) 0.00223 26 C 2 dxy Ryd( 3d) 0.00077 27 C 2 dxz Ryd( 3d) 0.00056 28 C 2 dyz Ryd( 3d) 0.00052 29 C 2 dx2y2 Ryd( 3d) 0.00069 30 C 2 dz2 Ryd( 3d) 0.00037 31 C 3 S Cor( 1S) 1.99902 32 C 3 S Val( 2S) 0.95156 33 C 3 S Ryd( 3S) 0.00054 34 C 3 S Ryd( 4S) 0.00004 35 C 3 px Val( 2p) 1.07699 36 C 3 px Ryd( 3p) 0.00356 37 C 3 py Val( 2p) 1.18002 38 C 3 py Ryd( 3p) 0.00506 39 C 3 pz Val( 2p) 1.01067 40 C 3 pz Ryd( 3p) 0.00068 41 C 3 dxy Ryd( 3d) 0.00071 42 C 3 dxz Ryd( 3d) 0.00049 43 C 3 dyz Ryd( 3d) 0.00033 44 C 3 dx2y2 Ryd( 3d) 0.00080 45 C 3 dz2 Ryd( 3d) 0.00044 46 C 4 S Cor( 1S) 1.99910 47 C 4 S Val( 2S) 0.95997 48 C 4 S Ryd( 3S) 0.00057 49 C 4 S Ryd( 4S) 0.00003 50 C 4 px Val( 2p) 1.11618 51 C 4 px Ryd( 3p) 0.00470 52 C 4 py Val( 2p) 1.13702 53 C 4 py Ryd( 3p) 0.00497 54 C 4 pz Val( 2p) 1.00283 55 C 4 pz Ryd( 3p) 0.00076 56 C 4 dxy Ryd( 3d) 0.00086 57 C 4 dxz Ryd( 3d) 0.00045 58 C 4 dyz Ryd( 3d) 0.00044 59 C 4 dx2y2 Ryd( 3d) 0.00061 60 C 4 dz2 Ryd( 3d) 0.00041 61 C 5 S Cor( 1S) 1.99909 62 C 5 S Val( 2S) 0.96193 63 C 5 S Ryd( 3S) 0.00053 64 C 5 S Ryd( 4S) 0.00003 65 C 5 px Val( 2p) 1.18531 66 C 5 px Ryd( 3p) 0.00492 67 C 5 py Val( 2p) 1.06936 68 C 5 py Ryd( 3p) 0.00443 69 C 5 pz Val( 2p) 1.01148 70 C 5 pz Ryd( 3p) 0.00085 71 C 5 dxy Ryd( 3d) 0.00066 72 C 5 dxz Ryd( 3d) 0.00036 73 C 5 dyz Ryd( 3d) 0.00051 74 C 5 dx2y2 Ryd( 3d) 0.00082 75 C 5 dz2 Ryd( 3d) 0.00042 76 C 6 S Cor( 1S) 1.99910 77 C 6 S Val( 2S) 0.96018 78 C 6 S Ryd( 3S) 0.00059 79 C 6 S Ryd( 4S) 0.00003 80 C 6 px Val( 2p) 1.07391 81 C 6 px Ryd( 3p) 0.00450 82 C 6 py Val( 2p) 1.18339 83 C 6 py Ryd( 3p) 0.00522 84 C 6 pz Val( 2p) 0.99883 85 C 6 pz Ryd( 3p) 0.00074 86 C 6 dxy Ryd( 3d) 0.00070 87 C 6 dxz Ryd( 3d) 0.00051 88 C 6 dyz Ryd( 3d) 0.00034 89 C 6 dx2y2 Ryd( 3d) 0.00079 90 C 6 dz2 Ryd( 3d) 0.00045 91 C 7 S Cor( 1S) 1.99902 92 C 7 S Val( 2S) 0.95177 93 C 7 S Ryd( 3S) 0.00061 94 C 7 S Ryd( 4S) 0.00005 95 C 7 px Val( 2p) 1.12215 96 C 7 px Ryd( 3p) 0.00398 97 C 7 py Val( 2p) 1.13524 98 C 7 py Ryd( 3p) 0.00458 99 C 7 pz Val( 2p) 1.00822 100 C 7 pz Ryd( 3p) 0.00066 101 C 7 dxy Ryd( 3d) 0.00088 102 C 7 dxz Ryd( 3d) 0.00044 103 C 7 dyz Ryd( 3d) 0.00042 104 C 7 dx2y2 Ryd( 3d) 0.00062 105 C 7 dz2 Ryd( 3d) 0.00041 106 H 8 S Val( 1S) 0.76287 107 H 8 S Ryd( 2S) 0.00125 108 H 9 S Val( 1S) 0.76442 109 H 9 S Ryd( 2S) 0.00089 110 H 10 S Val( 1S) 0.76469 111 H 10 S Ryd( 2S) 0.00084 112 H 11 S Val( 1S) 0.76444 113 H 11 S Ryd( 2S) 0.00088 114 H 12 S Val( 1S) 0.76794 115 H 12 S Ryd( 2S) 0.00113 116 C 13 S Cor( 1S) 1.99931 117 C 13 S Val( 2S) 1.01195 118 C 13 S Ryd( 3S) 0.00118 119 C 13 S Ryd( 4S) 0.00002 120 C 13 px Val( 2p) 0.98888 121 C 13 px Ryd( 3p) 0.00259 122 C 13 py Val( 2p) 0.99793 123 C 13 py Ryd( 3p) 0.00454 124 C 13 pz Val( 2p) 1.10266 125 C 13 pz Ryd( 3p) 0.00244 126 C 13 dxy Ryd( 3d) 0.00040 127 C 13 dxz Ryd( 3d) 0.00062 128 C 13 dyz Ryd( 3d) 0.00029 129 C 13 dx2y2 Ryd( 3d) 0.00055 130 C 13 dz2 Ryd( 3d) 0.00091 131 C 14 S Cor( 1S) 1.99943 132 C 14 S Val( 2S) 1.11225 133 C 14 S Ryd( 3S) 0.00040 134 C 14 S Ryd( 4S) 0.00001 135 C 14 px Val( 2p) 1.13143 136 C 14 px Ryd( 3p) 0.00101 137 C 14 py Val( 2p) 1.24156 138 C 14 py Ryd( 3p) 0.00078 139 C 14 pz Val( 2p) 1.24387 140 C 14 pz Ryd( 3p) 0.00199 141 C 14 dxy Ryd( 3d) 0.00102 142 C 14 dxz Ryd( 3d) 0.00045 143 C 14 dyz Ryd( 3d) 0.00051 144 C 14 dx2y2 Ryd( 3d) 0.00056 145 C 14 dz2 Ryd( 3d) 0.00092 146 H 15 S Val( 1S) 0.75819 147 H 15 S Ryd( 2S) 0.00087 148 H 16 S Val( 1S) 0.76665 149 H 16 S Ryd( 2S) 0.00130 150 H 17 S Val( 1S) 0.76434 151 H 17 S Ryd( 2S) 0.00201 152 H 18 S Val( 1S) 0.79784 153 H 18 S Ryd( 2S) 0.00112 154 H 19 S Val( 1S) 0.75018 155 H 19 S Ryd( 2S) 0.00181 156 H 20 S Val( 1S) 0.75709 157 H 20 S Ryd( 2S) 0.00230 Summary of Natural Population Analysis: Natural Population Natural ----------------------------------------------- Atom No Charge Core Valence Rydberg Total ----------------------------------------------------------------------- C 1 -0.52810 1.99924 4.51664 0.01221 6.52810 C 2 -0.02956 1.99902 4.01469 0.01584 6.02956 C 3 -0.23091 1.99902 4.21924 0.01265 6.23091 C 4 -0.22890 1.99910 4.21600 0.01380 6.22890 C 5 -0.24071 1.99909 4.22808 0.01353 6.24071 C 6 -0.22928 1.99910 4.21631 0.01387 6.22928 C 7 -0.22905 1.99902 4.21738 0.01265 6.22905 H 8 0.23588 0.00000 0.76287 0.00125 0.76412 H 9 0.23469 0.00000 0.76442 0.00089 0.76531 H 10 0.23447 0.00000 0.76469 0.00084 0.76553 H 11 0.23469 0.00000 0.76444 0.00088 0.76531 H 12 0.23093 0.00000 0.76794 0.00113 0.76907 C 13 -0.11428 1.99931 4.10142 0.01354 6.11428 C 14 -0.73618 1.99943 4.72911 0.00763 6.73618 H 15 0.24094 0.00000 0.75819 0.00087 0.75906 H 16 0.23204 0.00000 0.76665 0.00130 0.76796 H 17 0.23365 0.00000 0.76434 0.00201 0.76635 H 18 0.20104 0.00000 0.79784 0.00112 0.79896 H 19 0.24801 0.00000 0.75018 0.00181 0.75199 H 20 0.24061 0.00000 0.75709 0.00230 0.75939 ======================================================================= * Total * 0.00000 17.99233 46.87754 0.13013 65.00000 Natural Population -------------------------------------------------------- Core 17.99233 ( 99.9574% of 18) Valence 46.87754 ( 99.7394% of 47) Natural Minimal Basis 64.86987 ( 99.7998% of 65) Natural Rydberg Basis 0.13013 ( 0.2002% of 65) -------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- C 1 [core]2S( 1.04)2p( 3.48)3p( 0.01) C 2 [core]2S( 0.88)2p( 3.13)3p( 0.01) C 3 [core]2S( 0.95)2p( 3.27)3p( 0.01) C 4 [core]2S( 0.96)2p( 3.26)3p( 0.01) C 5 [core]2S( 0.96)2p( 3.27)3p( 0.01) C 6 [core]2S( 0.96)2p( 3.26)3p( 0.01) C 7 [core]2S( 0.95)2p( 3.27)3p( 0.01) H 8 1S( 0.76) H 9 1S( 0.76) H 10 1S( 0.76) H 11 1S( 0.76) H 12 1S( 0.77) C 13 [core]2S( 1.01)2p( 3.09)3p( 0.01) C 14 [core]2S( 1.11)2p( 3.62) H 15 1S( 0.76) H 16 1S( 0.77) H 17 1S( 0.76) H 18 1S( 0.80) H 19 1S( 0.75) H 20 1S( 0.76) *************************************************** ******* Alpha spin orbitals ******* *************************************************** NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy Energy ---------------------------------------------------------- 1 C 1 S Cor( 1S) 0.99962 -10.04844 2 C 1 S Val( 2S) 0.51450 -0.22786 3 C 1 S Ryd( 3S) 0.00043 1.39796 4 C 1 S Ryd( 4S) 0.00001 4.31681 5 C 1 px Val( 2p) 0.52831 -0.06629 6 C 1 px Ryd( 3p) 0.00138 0.67234 7 C 1 py Val( 2p) 0.59890 -0.08476 8 C 1 py Ryd( 3p) 0.00176 0.79290 9 C 1 pz Val( 2p) 0.59393 -0.08349 10 C 1 pz Ryd( 3p) 0.00079 0.70125 11 C 1 dxy Ryd( 3d) 0.00024 2.13259 12 C 1 dxz Ryd( 3d) 0.00036 2.08217 13 C 1 dyz Ryd( 3d) 0.00019 2.00136 14 C 1 dx2y2 Ryd( 3d) 0.00074 2.28083 15 C 1 dz2 Ryd( 3d) 0.00066 2.21354 16 C 2 S Cor( 1S) 0.99951 -10.03913 17 C 2 S Val( 2S) 0.44222 -0.13041 18 C 2 S Ryd( 3S) 0.00048 1.04650 19 C 2 S Ryd( 4S) 0.00003 4.27030 20 C 2 px Val( 2p) 0.52951 -0.03525 21 C 2 px Ryd( 3p) 0.00263 1.19445 22 C 2 py Val( 2p) 0.54413 -0.03477 23 C 2 py Ryd( 3p) 0.00231 0.98944 24 C 2 pz Val( 2p) 0.49657 -0.08494 25 C 2 pz Ryd( 3p) 0.00112 0.72548 26 C 2 dxy Ryd( 3d) 0.00038 2.45858 27 C 2 dxz Ryd( 3d) 0.00029 1.97900 28 C 2 dyz Ryd( 3d) 0.00026 1.97363 29 C 2 dx2y2 Ryd( 3d) 0.00034 2.42927 30 C 2 dz2 Ryd( 3d) 0.00019 2.28880 31 C 3 S Cor( 1S) 0.99951 -10.03148 32 C 3 S Val( 2S) 0.47571 -0.15145 33 C 3 S Ryd( 3S) 0.00027 1.27133 34 C 3 S Ryd( 4S) 0.00002 3.97729 35 C 3 px Val( 2p) 0.53839 -0.02991 36 C 3 px Ryd( 3p) 0.00180 0.78944 37 C 3 py Val( 2p) 0.59005 -0.04376 38 C 3 py Ryd( 3p) 0.00254 1.09247 39 C 3 pz Val( 2p) 0.50456 -0.09156 40 C 3 pz Ryd( 3p) 0.00035 0.63854 41 C 3 dxy Ryd( 3d) 0.00036 2.37730 42 C 3 dxz Ryd( 3d) 0.00025 1.99912 43 C 3 dyz Ryd( 3d) 0.00017 1.86384 44 C 3 dx2y2 Ryd( 3d) 0.00040 2.40670 45 C 3 dz2 Ryd( 3d) 0.00022 2.26966 46 C 4 S Cor( 1S) 0.99955 -10.03671 47 C 4 S Val( 2S) 0.48004 -0.15993 48 C 4 S Ryd( 3S) 0.00028 1.26874 49 C 4 S Ryd( 4S) 0.00002 3.95879 50 C 4 px Val( 2p) 0.55814 -0.03456 51 C 4 px Ryd( 3p) 0.00235 0.87930 52 C 4 py Val( 2p) 0.56854 -0.03782 53 C 4 py Ryd( 3p) 0.00248 0.94318 54 C 4 pz Val( 2p) 0.50257 -0.09198 55 C 4 pz Ryd( 3p) 0.00039 0.64371 56 C 4 dxy Ryd( 3d) 0.00043 2.36687 57 C 4 dxz Ryd( 3d) 0.00022 1.93780 58 C 4 dyz Ryd( 3d) 0.00022 1.89356 59 C 4 dx2y2 Ryd( 3d) 0.00031 2.38649 60 C 4 dz2 Ryd( 3d) 0.00021 2.24844 61 C 5 S Cor( 1S) 0.99955 -10.03605 62 C 5 S Val( 2S) 0.48097 -0.16072 63 C 5 S Ryd( 3S) 0.00027 1.26055 64 C 5 S Ryd( 4S) 0.00002 3.96460 65 C 5 px Val( 2p) 0.59260 -0.04556 66 C 5 px Ryd( 3p) 0.00246 1.10057 67 C 5 py Val( 2p) 0.53463 -0.02741 68 C 5 py Ryd( 3p) 0.00221 0.71713 69 C 5 pz Val( 2p) 0.50499 -0.09168 70 C 5 pz Ryd( 3p) 0.00043 0.64185 71 C 5 dxy Ryd( 3d) 0.00033 2.38358 72 C 5 dxz Ryd( 3d) 0.00018 1.86199 73 C 5 dyz Ryd( 3d) 0.00025 1.97017 74 C 5 dx2y2 Ryd( 3d) 0.00041 2.36779 75 C 5 dz2 Ryd( 3d) 0.00021 2.24730 76 C 6 S Cor( 1S) 0.99955 -10.03661 77 C 6 S Val( 2S) 0.48014 -0.15966 78 C 6 S Ryd( 3S) 0.00030 1.26772 79 C 6 S Ryd( 4S) 0.00002 3.96329 80 C 6 px Val( 2p) 0.53697 -0.02826 81 C 6 px Ryd( 3p) 0.00225 0.73857 82 C 6 py Val( 2p) 0.59170 -0.04414 83 C 6 py Ryd( 3p) 0.00261 1.09613 84 C 6 pz Val( 2p) 0.50066 -0.09135 85 C 6 pz Ryd( 3p) 0.00038 0.63323 86 C 6 dxy Ryd( 3d) 0.00035 2.37439 87 C 6 dxz Ryd( 3d) 0.00026 1.99505 88 C 6 dyz Ryd( 3d) 0.00017 1.84460 89 C 6 dx2y2 Ryd( 3d) 0.00040 2.37055 90 C 6 dz2 Ryd( 3d) 0.00022 2.25204 91 C 7 S Cor( 1S) 0.99951 -10.03041 92 C 7 S Val( 2S) 0.47590 -0.15031 93 C 7 S Ryd( 3S) 0.00030 1.19768 94 C 7 S Ryd( 4S) 0.00002 4.05689 95 C 7 px Val( 2p) 0.56111 -0.03691 96 C 7 px Ryd( 3p) 0.00205 0.95595 97 C 7 py Val( 2p) 0.56844 -0.03470 98 C 7 py Ryd( 3p) 0.00229 0.93519 99 C 7 pz Val( 2p) 0.50249 -0.09141 100 C 7 pz Ryd( 3p) 0.00033 0.65800 101 C 7 dxy Ryd( 3d) 0.00044 2.39103 102 C 7 dxz Ryd( 3d) 0.00023 1.94038 103 C 7 dyz Ryd( 3d) 0.00021 1.91141 104 C 7 dx2y2 Ryd( 3d) 0.00031 2.41795 105 C 7 dz2 Ryd( 3d) 0.00021 2.27359 106 H 8 S Val( 1S) 0.38116 0.10113 107 H 8 S Ryd( 2S) 0.00076 0.59462 108 H 9 S Val( 1S) 0.38224 0.09990 109 H 9 S Ryd( 2S) 0.00044 0.57129 110 H 10 S Val( 1S) 0.38241 0.10017 111 H 10 S Ryd( 2S) 0.00042 0.57048 112 H 11 S Val( 1S) 0.38219 0.09949 113 H 11 S Ryd( 2S) 0.00044 0.57063 114 H 12 S Val( 1S) 0.38400 0.09565 115 H 12 S Ryd( 2S) 0.00061 0.58747 116 C 13 S Cor( 1S) 0.99967 -10.06474 117 C 13 S Val( 2S) 0.53032 -0.25329 118 C 13 S Ryd( 3S) 0.00074 0.96744 119 C 13 S Ryd( 4S) 0.00001 4.18829 120 C 13 px Val( 2p) 0.52333 -0.03679 121 C 13 px Ryd( 3p) 0.00135 0.77944 122 C 13 py Val( 2p) 0.85681 -0.15497 123 C 13 py Ryd( 3p) 0.00384 0.61804 124 C 13 pz Val( 2p) 0.61153 -0.05113 125 C 13 pz Ryd( 3p) 0.00151 0.83482 126 C 13 dxy Ryd( 3d) 0.00018 1.99332 127 C 13 dxz Ryd( 3d) 0.00031 2.16174 128 C 13 dyz Ryd( 3d) 0.00007 1.95017 129 C 13 dx2y2 Ryd( 3d) 0.00017 2.18454 130 C 13 dz2 Ryd( 3d) 0.00041 2.12468 131 C 14 S Cor( 1S) 0.99971 -10.04950 132 C 14 S Val( 2S) 0.55243 -0.25853 133 C 14 S Ryd( 3S) 0.00022 1.25827 134 C 14 S Ryd( 4S) 0.00000 4.21622 135 C 14 px Val( 2p) 0.55516 -0.07505 136 C 14 px Ryd( 3p) 0.00052 0.54460 137 C 14 py Val( 2p) 0.61439 -0.08201 138 C 14 py Ryd( 3p) 0.00049 0.65542 139 C 14 pz Val( 2p) 0.61889 -0.08101 140 C 14 pz Ryd( 3p) 0.00106 0.65780 141 C 14 dxy Ryd( 3d) 0.00079 2.03520 142 C 14 dxz Ryd( 3d) 0.00025 1.96715 143 C 14 dyz Ryd( 3d) 0.00026 2.00091 144 C 14 dx2y2 Ryd( 3d) 0.00025 2.14504 145 C 14 dz2 Ryd( 3d) 0.00049 2.15983 146 H 15 S Val( 1S) 0.38347 0.08932 147 H 15 S Ryd( 2S) 0.00050 0.64468 148 H 16 S Val( 1S) 0.39202 0.07951 149 H 16 S Ryd( 2S) 0.00086 0.65920 150 H 17 S Val( 1S) 0.41053 0.06567 151 H 17 S Ryd( 2S) 0.00174 0.65222 152 H 18 S Val( 1S) 0.38589 0.09758 153 H 18 S Ryd( 2S) 0.00056 0.62010 154 H 19 S Val( 1S) 0.38441 0.08004 155 H 19 S Ryd( 2S) 0.00110 0.66912 156 H 20 S Val( 1S) 0.40584 0.06828 157 H 20 S Ryd( 2S) 0.00181 0.67880 Summary of Natural Population Analysis: Natural Population Natural ----------------------------------------------- Atom No Charge Core Valence Rydberg Total ----------------------------------------------------------------------- C 1 -0.24183 0.99962 2.23565 0.00656 3.24183 C 2 -0.01998 0.99951 2.01243 0.00803 3.01998 C 3 -0.11458 0.99951 2.10870 0.00636 3.11458 C 4 -0.11574 0.99955 2.10929 0.00690 3.11574 C 5 -0.11950 0.99955 2.11319 0.00677 3.11950 C 6 -0.11596 0.99955 2.10947 0.00694 3.11596 C 7 -0.11383 0.99951 2.10793 0.00639 3.11383 H 8 0.11807 0.00000 0.38116 0.00076 0.38193 H 9 0.11731 0.00000 0.38224 0.00044 0.38269 H 10 0.11716 0.00000 0.38241 0.00042 0.38284 H 11 0.11737 0.00000 0.38219 0.00044 0.38263 H 12 0.11539 0.00000 0.38400 0.00061 0.38461 C 13 -0.53026 0.99967 2.52199 0.00859 3.53026 C 14 -0.34492 0.99971 2.34087 0.00433 3.34492 H 15 0.11603 0.00000 0.38347 0.00050 0.38397 H 16 0.10712 0.00000 0.39202 0.00086 0.39288 H 17 0.08773 0.00000 0.41053 0.00174 0.41227 H 18 0.11355 0.00000 0.38589 0.00056 0.38645 H 19 0.11449 0.00000 0.38441 0.00110 0.38551 H 20 0.09235 0.00000 0.40584 0.00181 0.40765 ======================================================================= * Total * -0.50000 8.99619 23.93370 0.07012 33.00000 Natural Population -------------------------------------------------------- Core 8.99619 ( 99.9576% of 9) Valence 23.93370 ( 99.7237% of 24) Natural Minimal Basis 32.92988 ( 99.7875% of 33) Natural Rydberg Basis 0.07012 ( 0.2125% of 33) -------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- C 1 [core]2S( 0.51)2p( 1.72) C 2 [core]2S( 0.44)2p( 1.57)3p( 0.01) C 3 [core]2S( 0.48)2p( 1.63) C 4 [core]2S( 0.48)2p( 1.63)3p( 0.01) C 5 [core]2S( 0.48)2p( 1.63)3p( 0.01) C 6 [core]2S( 0.48)2p( 1.63)3p( 0.01) C 7 [core]2S( 0.48)2p( 1.63) H 8 1S( 0.38) H 9 1S( 0.38) H 10 1S( 0.38) H 11 1S( 0.38) H 12 1S( 0.38) C 13 [core]2S( 0.53)2p( 1.99)3p( 0.01) C 14 [core]2S( 0.55)2p( 1.79) H 15 1S( 0.38) H 16 1S( 0.39) H 17 1S( 0.41) H 18 1S( 0.39) H 19 1S( 0.38) H 20 1S( 0.41) NATURAL BOND ORBITAL ANALYSIS, alpha spin orbitals: Occupancies Lewis Structure Low High Occ. ------------------- ----------------- occ occ Cycle Thresh. Lewis Non-Lewis CR BD 3C LP (L) (NL) Dev ============================================================================= 1(1) 0.90 31.27218 1.72782 9 20 0 4 3 3 0.03 2(2) 0.90 31.27218 1.72782 9 20 0 4 3 3 0.03 3(1) 0.80 32.26945 0.73055 9 23 0 1 0 3 0.03 ----------------------------------------------------------------------------- Structure accepted: No low occupancy Lewis orbitals -------------------------------------------------------- Core 8.99619 ( 99.958% of 9) Valence Lewis 23.27326 ( 96.972% of 24) ================== ============================ Total Lewis 32.26945 ( 97.786% of 33) ----------------------------------------------------- Valence non-Lewis 0.67954 ( 2.059% of 33) Rydberg non-Lewis 0.05101 ( 0.155% of 33) ================== ============================ Total non-Lewis 0.73055 ( 2.214% of 33) -------------------------------------------------------- (Occupancy) Bond orbital/ Coefficients/ Hybrids --------------------------------------------------------------------------------- 1. (0.98917) BD ( 1) C 1 - C 2 ( 49.60%) 0.7043* C 1 s( 27.89%)p 2.58( 72.06%)d 0.00( 0.05%) 0.0002 0.5280 -0.0098 0.0007 -0.8152 -0.0027 0.1885 -0.0052 -0.1429 0.0087 -0.0077 0.0060 -0.0009 0.0172 -0.0090 ( 50.40%) 0.7099* C 2 s( 31.52%)p 2.17( 68.44%)d 0.00( 0.03%) -0.0001 0.5614 0.0061 -0.0016 0.7985 -0.0177 -0.1722 -0.0049 0.1294 0.0034 -0.0061 0.0048 -0.0004 0.0132 -0.0098 2. (0.99148) BD ( 1) C 1 - C 13 ( 51.60%) 0.7183* C 1 s( 27.51%)p 2.63( 72.45%)d 0.00( 0.03%) 0.0001 0.5243 -0.0145 -0.0000 0.5260 0.0116 0.4004 -0.0004 -0.5359 -0.0096 0.0095 -0.0128 -0.0093 0.0020 0.0021 ( 48.40%) 0.6957* C 13 s( 33.67%)p 1.97( 66.29%)d 0.00( 0.03%) 0.0002 0.5803 -0.0010 0.0017 -0.5052 -0.0130 -0.4001 -0.0088 0.4974 0.0061 0.0086 -0.0139 -0.0077 -0.0021 -0.0004 3. (0.98695) BD ( 1) C 1 - H 19 ( 61.86%) 0.7865* C 1 s( 22.40%)p 3.46( 77.53%)d 0.00( 0.07%) -0.0001 0.4732 0.0098 -0.0001 0.2104 -0.0034 0.2128 -0.0159 0.8279 -0.0007 0.0021 0.0093 0.0101 0.0009 0.0219 ( 38.14%) 0.6176* H 19 s(100.00%) 1.0000 0.0021 4. (0.99402) BD ( 1) C 1 - H 20 ( 60.49%) 0.7777* C 1 s( 22.23%)p 3.50( 77.70%)d 0.00( 0.07%) 0.0001 -0.4714 -0.0098 0.0005 -0.1168 -0.0085 0.8703 -0.0091 0.0750 -0.0117 0.0044 -0.0003 -0.0021 0.0229 0.0137 ( 39.51%) 0.6286* H 20 s(100.00%) -1.0000 -0.0002 5. (0.98814) BD ( 1) C 2 - C 3 ( 50.74%) 0.7123* C 2 s( 34.57%)p 1.89( 65.40%)d 0.00( 0.04%) -0.0001 0.5879 -0.0044 0.0009 -0.5221 0.0070 -0.6032 -0.0188 -0.1308 -0.0020 0.0155 0.0039 0.0038 -0.0008 -0.0095 ( 49.26%) 0.7019* C 3 s( 35.46%)p 1.82( 64.50%)d 0.00( 0.04%) -0.0000 0.5955 -0.0049 0.0022 0.5456 0.0221 0.5727 -0.0083 0.1369 0.0036 0.0157 0.0041 0.0044 -0.0027 -0.0105 6. (0.82951) BD ( 2) C 2 - C 3 ( 49.38%) 0.7027* C 2 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) -0.0000 -0.0033 -0.0042 -0.0001 -0.1714 0.0039 -0.0678 0.0013 0.9826 -0.0068 0.0023 -0.0178 -0.0064 0.0022 -0.0062 ( 50.62%) 0.7115* C 3 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) -0.0000 -0.0022 -0.0002 0.0001 -0.1680 0.0001 -0.0725 0.0012 0.9829 -0.0077 -0.0034 0.0037 0.0184 0.0009 0.0035 7. (0.98736) BD ( 1) C 2 - C 7 ( 50.71%) 0.7121* C 2 s( 33.88%)p 1.95( 66.08%)d 0.00( 0.04%) -0.0002 0.5820 -0.0032 0.0009 -0.2438 0.0095 0.7752 0.0137 0.0129 0.0053 -0.0104 0.0004 0.0005 -0.0123 -0.0108 ( 49.29%) 0.7021* C 7 s( 35.14%)p 1.84( 64.82%)d 0.00( 0.04%) 0.0000 0.5928 -0.0042 0.0025 0.2740 0.0211 -0.7566 -0.0015 -0.0110 0.0045 -0.0089 0.0004 0.0010 -0.0137 -0.0114 8. (0.98987) BD ( 1) C 3 - C 4 ( 50.19%) 0.7085* C 3 s( 35.39%)p 1.82( 64.57%)d 0.00( 0.04%) -0.0001 0.5948 -0.0104 -0.0003 -0.7788 -0.0215 0.1527 -0.0287 -0.1205 -0.0058 -0.0085 0.0048 -0.0011 0.0137 -0.0103 ( 49.81%) 0.7058* C 4 s( 35.22%)p 1.84( 64.74%)d 0.00( 0.04%) -0.0000 0.5934 -0.0077 0.0008 0.7726 0.0090 -0.1882 -0.0350 0.1173 -0.0011 -0.0049 0.0055 -0.0005 0.0153 -0.0107 9. (0.99116) BD ( 1) C 3 - H 12 ( 61.69%) 0.7854* C 3 s( 29.10%)p 2.43( 70.85%)d 0.00( 0.05%) 0.0004 -0.5393 -0.0122 0.0016 -0.2568 0.0103 0.8013 -0.0106 0.0140 0.0010 0.0116 -0.0001 -0.0009 0.0160 0.0122 ( 38.31%) 0.6189* H 12 s(100.00%) -1.0000 -0.0021 10. (0.99035) BD ( 1) C 4 - C 5 ( 50.05%) 0.7075* C 4 s( 35.28%)p 1.83( 64.68%)d 0.00( 0.04%) -0.0000 0.5940 -0.0079 0.0006 -0.2732 -0.0355 0.7555 0.0062 0.0105 -0.0056 -0.0083 0.0003 0.0011 -0.0141 -0.0111 ( 49.95%) 0.7068* C 5 s( 35.19%)p 1.84( 64.77%)d 0.00( 0.04%) -0.0000 0.5932 -0.0079 0.0006 0.2302 -0.0248 -0.7701 -0.0260 -0.0163 -0.0061 -0.0113 0.0005 0.0004 -0.0120 -0.0112 11. (0.83660) BD ( 2) C 4 - C 5 ( 49.79%) 0.7056* C 4 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) -0.0000 -0.0004 -0.0000 -0.0000 -0.1668 0.0022 -0.0737 0.0010 0.9829 -0.0132 -0.0036 0.0034 0.0189 0.0008 0.0035 ( 50.21%) 0.7086* C 5 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) -0.0000 0.0000 0.0001 0.0000 -0.1666 0.0023 -0.0706 0.0011 0.9832 -0.0137 0.0012 0.0143 -0.0131 -0.0035 0.0026 12. (0.99148) BD ( 1) C 4 - H 11 ( 61.83%) 0.7863* C 4 s( 29.46%)p 2.39( 70.49%)d 0.00( 0.05%) -0.0003 0.5426 0.0125 -0.0012 -0.5465 0.0095 -0.6218 0.0115 -0.1391 0.0025 0.0189 0.0045 0.0050 -0.0026 -0.0112 ( 38.17%) 0.6178* H 11 s(100.00%) 1.0000 0.0014 13. (0.99040) BD ( 1) C 5 - C 6 ( 49.96%) 0.7068* C 5 s( 35.11%)p 1.85( 64.85%)d 0.00( 0.04%) -0.0001 0.5925 -0.0076 0.0007 0.5127 -0.0127 0.6061 0.0341 0.1304 0.0003 0.0159 0.0044 0.0041 0.0002 -0.0104 ( 50.04%) 0.7074* C 6 s( 35.19%)p 1.84( 64.77%)d 0.00( 0.04%) -0.0000 0.5931 -0.0077 0.0006 -0.5458 -0.0347 -0.5749 0.0096 -0.1342 -0.0051 0.0155 0.0037 0.0042 -0.0034 -0.0104 14. (0.99159) BD ( 1) C 5 - H 10 ( 61.82%) 0.7862* C 5 s( 29.66%)p 2.37( 70.29%)d 0.00( 0.05%) 0.0003 -0.5445 -0.0123 0.0011 0.8093 -0.0141 -0.1796 0.0032 0.1242 -0.0022 0.0081 -0.0059 0.0011 -0.0173 0.0114 ( 38.18%) 0.6179* H 10 s(100.00%) -1.0000 -0.0013 15. (0.98994) BD ( 1) C 6 - C 7 ( 49.84%) 0.7059* C 6 s( 35.33%)p 1.83( 64.63%)d 0.00( 0.04%) -0.0000 0.5943 -0.0080 0.0008 0.7789 0.0221 -0.1550 0.0281 0.1192 0.0059 -0.0087 0.0049 -0.0010 0.0136 -0.0107 ( 50.16%) 0.7083* C 7 s( 35.50%)p 1.82( 64.46%)d 0.00( 0.04%) -0.0001 0.5957 -0.0114 -0.0000 -0.7706 -0.0085 0.1890 0.0353 -0.1173 0.0007 -0.0048 0.0053 -0.0007 0.0152 -0.0101 16. (0.83767) BD ( 2) C 6 - C 7 ( 50.00%) 0.7071* C 6 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 0.0004 0.0002 0.0001 -0.1652 0.0019 -0.0723 0.0008 0.9833 -0.0127 0.0010 0.0144 -0.0132 -0.0034 0.0026 ( 50.00%) 0.7071* C 7 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 0.0013 -0.0006 -0.0002 -0.1667 0.0012 -0.0737 0.0004 0.9830 -0.0075 0.0022 -0.0177 -0.0055 0.0026 -0.0060 17. (0.99153) BD ( 1) C 6 - H 9 ( 61.83%) 0.7863* C 6 s( 29.45%)p 2.39( 70.50%)d 0.00( 0.05%) -0.0003 0.5425 0.0127 -0.0012 -0.2567 0.0044 0.7992 -0.0146 0.0154 -0.0004 -0.0114 0.0000 0.0008 -0.0161 -0.0122 ( 38.17%) 0.6178* H 9 s(100.00%) 1.0000 0.0014 18. (0.99103) BD ( 1) C 7 - H 8 ( 61.99%) 0.7873* C 7 s( 29.32%)p 2.41( 70.63%)d 0.00( 0.05%) -0.0004 0.5413 0.0122 -0.0020 0.5493 -0.0129 0.6206 -0.0052 0.1389 -0.0025 0.0189 0.0045 0.0048 -0.0022 -0.0114 ( 38.01%) 0.6165* H 8 s(100.00%) 1.0000 0.0030 19. (0.99589) BD ( 1) C 13 - C 14 ( 49.24%) 0.7017* C 13 s( 34.01%)p 1.94( 65.96%)d 0.00( 0.03%) -0.0000 0.5831 -0.0101 0.0012 0.7948 0.0225 0.0392 0.0131 0.1598 -0.0118 -0.0019 0.0068 0.0034 0.0120 -0.0107 ( 50.76%) 0.7125* C 14 s( 28.79%)p 2.47( 71.17%)d 0.00( 0.04%) 0.0002 0.5363 -0.0164 0.0000 -0.8234 -0.0126 -0.0599 0.0051 -0.1730 -0.0086 0.0031 0.0067 0.0010 0.0156 -0.0087 20. (0.99254) BD ( 1) C 13 - H 18 ( 61.50%) 0.7842* C 13 s( 30.06%)p 2.33( 69.89%)d 0.00( 0.05%) -0.0002 0.5480 0.0147 -0.0018 -0.2504 0.0024 0.1324 0.0086 -0.7865 -0.0046 -0.0040 0.0116 -0.0027 -0.0026 0.0190 ( 38.50%) 0.6205* H 18 s(100.00%) 1.0000 0.0065 21. (0.99529) BD ( 1) C 14 - H 15 ( 61.75%) 0.7858* C 14 s( 24.25%)p 3.12( 75.69%)d 0.00( 0.06%) -0.0000 0.4924 0.0025 -0.0002 0.3789 0.0053 0.6105 -0.0052 -0.4903 0.0096 0.0140 -0.0108 -0.0166 -0.0064 0.0002 ( 38.25%) 0.6185* H 15 s(100.00%) 1.0000 0.0001 22. (0.99570) BD ( 1) C 14 - H 16 ( 61.17%) 0.7821* C 14 s( 23.90%)p 3.18( 76.04%)d 0.00( 0.07%) -0.0000 0.4888 0.0052 0.0001 0.1271 0.0133 0.2008 0.0026 0.8388 -0.0064 0.0025 0.0067 0.0087 -0.0005 0.0229 ( 38.83%) 0.6231* H 16 s(100.00%) 1.0000 0.0007 23. (0.99807) BD ( 1) C 14 - H 17 ( 60.04%) 0.7748* C 14 s( 23.09%)p 3.33( 76.84%)d 0.00( 0.07%) 0.0000 0.4805 0.0054 -0.0001 0.4012 0.0096 -0.7631 0.0074 -0.1579 0.0021 -0.0200 -0.0041 0.0060 -0.0115 -0.0121 ( 39.96%) 0.6322* H 17 s(100.00%) 1.0000 -0.0011 24. (0.99962) CR ( 1) C 1 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0001 0.0000 -0.0000 0.0002 -0.0000 -0.0002 -0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 25. (0.99951) CR ( 1) C 2 s(100.00%) 1.0000 0.0002 -0.0000 0.0000 -0.0001 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 26. (0.99951) CR ( 1) C 3 s(100.00%)p 0.00( 0.00%) 1.0000 0.0002 0.0000 -0.0000 0.0000 -0.0000 -0.0003 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 27. (0.99955) CR ( 1) C 4 s(100.00%)p 0.00( 0.00%) 1.0000 0.0002 0.0000 -0.0000 -0.0001 0.0000 -0.0002 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 28. (0.99955) CR ( 1) C 5 s(100.00%)p 0.00( 0.00%) 1.0000 0.0002 0.0000 -0.0000 -0.0002 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 29. (0.99955) CR ( 1) C 6 s(100.00%)p 0.00( 0.00%) 1.0000 0.0002 0.0000 -0.0000 -0.0001 0.0000 0.0002 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 30. (0.99951) CR ( 1) C 7 s(100.00%)p 0.00( 0.00%) 1.0000 0.0002 0.0000 -0.0000 0.0001 -0.0000 0.0002 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 31. (0.99967) CR ( 1) C 13 s(100.00%)p 0.00( 0.00%) 1.0000 0.0000 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 32. (0.99971) CR ( 1) C 14 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 33. (0.93752) LP ( 1) C 13 s( 2.30%)p42.50( 97.70%)d 0.00( 0.00%) 0.0000 0.1507 0.0168 0.0006 -0.2208 0.0130 0.9048 -0.0425 0.3276 -0.0180 -0.0008 -0.0006 0.0017 -0.0010 -0.0007 34. (0.00247) RY*( 1) C 1 s( 0.13%)p99.99( 94.15%)d45.08( 5.72%) -0.0000 0.0018 0.0353 0.0044 0.0004 -0.5698 -0.0209 -0.6780 -0.0182 -0.3954 0.0614 0.0293 0.0297 0.0900 0.2088 35. (0.00115) RY*( 2) C 1 s( 5.47%)p13.51( 73.99%)d 3.75( 20.54%) -0.0000 0.0095 0.2318 0.0306 -0.0038 -0.5881 0.0149 0.5845 -0.0019 -0.2282 -0.0765 0.1335 -0.1560 -0.3963 0.0190 36. (0.00066) RY*( 3) C 1 s( 5.24%)p 4.42( 23.18%)d13.66( 71.58%) -0.0000 -0.0029 0.2283 -0.0172 -0.0013 -0.0091 0.0187 -0.3422 -0.0003 0.3381 0.4105 0.2487 -0.2434 -0.4743 -0.4485 37. (0.00025) RY*( 4) C 1 s( 3.24%)p17.55( 56.84%)d12.33( 39.92%) -0.0000 -0.0010 0.1777 0.0286 -0.0091 0.4989 -0.0017 -0.0210 -0.0077 -0.5647 0.0121 0.5979 -0.0629 -0.1084 0.1610 38. (0.00014) RY*( 5) C 1 s( 22.61%)p 1.37( 31.04%)d 2.05( 46.35%) -0.0000 -0.0012 0.4742 -0.0343 0.0116 -0.1037 0.0056 -0.0715 -0.0260 0.5420 -0.3290 0.4084 0.1266 0.1804 0.3740 39. (0.00009) RY*( 6) C 1 s( 47.28%)p 0.19( 9.16%)d 0.92( 43.56%) 40. (0.00001) RY*( 7) C 1 s( 99.69%)p 0.00( 0.28%)d 0.00( 0.03%) 41. (0.00001) RY*( 8) C 1 s( 1.20%)p 0.33( 0.39%)d82.09( 98.41%) 42. (0.00001) RY*( 9) C 1 s( 4.22%)p 1.46( 6.17%)d21.24( 89.61%) 43. (0.00001) RY*(10) C 1 s( 10.89%)p 0.46( 5.05%)d 7.72( 84.06%) 44. (0.00268) RY*( 1) C 2 s( 2.28%)p40.26( 91.85%)d 2.57( 5.87%) 0.0000 0.0008 0.1510 0.0014 0.0227 0.9567 -0.0054 -0.0122 0.0002 0.0502 0.1378 -0.0552 0.0403 -0.1858 0.0227 45. (0.00217) RY*( 2) C 2 s( 0.87%)p99.99( 94.84%)d 4.90( 4.28%) -0.0000 -0.0061 0.0932 -0.0007 0.0004 -0.0405 0.0174 -0.9628 0.0048 0.1395 -0.1438 0.0123 -0.0209 -0.1468 0.0029 46. (0.00125) RY*( 3) C 2 s( 6.94%)p11.98( 83.23%)d 1.42( 9.83%) 0.0000 -0.0018 0.2633 0.0114 -0.0080 -0.0901 -0.0067 0.1615 0.0114 0.8932 0.0566 0.2834 -0.0002 -0.0487 0.1113 47. (0.00033) RY*( 4) C 2 s( 19.10%)p 0.26( 4.98%)d 3.98( 75.92%) 0.0000 0.0016 0.4361 0.0285 -0.0067 -0.0463 0.0013 0.0109 0.0102 -0.2178 -0.1541 0.2269 0.8012 0.0714 0.1922 48. (0.00030) RY*( 5) C 2 s( 69.05%)p 0.09( 6.01%)d 0.36( 24.95%) -0.0000 0.0020 0.8300 0.0402 -0.0086 -0.1023 0.0039 0.0279 -0.0047 -0.2208 0.1225 -0.1002 -0.4559 0.0971 -0.0845 49. (0.00011) RY*( 6) C 2 s( 1.46%)p 3.14( 4.59%)d64.26( 93.95%) 0.0000 -0.0000 0.1084 -0.0536 -0.0036 0.0110 -0.0238 0.2014 -0.0050 0.0680 -0.8232 -0.2781 -0.0524 -0.4054 -0.1320 50. (0.00007) RY*( 7) C 2 s( 0.49%)p15.86( 7.70%)d99.99( 91.82%) 51. (0.00003) RY*( 8) C 2 s( 69.75%)p 0.00( 0.05%)d 0.43( 30.20%) 52. (0.00004) RY*( 9) C 2 s( 0.31%)p21.78( 6.80%)d99.99( 92.89%) 53. (0.00001) RY*(10) C 2 s( 29.78%)p 0.00( 0.06%)d 2.36( 70.16%) 54. (0.00246) RY*( 1) C 3 s( 0.17%)p99.99( 92.42%)d43.68( 7.41%) -0.0000 -0.0116 0.0385 0.0090 0.0109 0.3387 -0.0271 -0.8990 0.0008 -0.0214 0.1585 0.0306 0.0031 0.2163 0.0358 55. (0.00123) RY*( 2) C 3 s( 0.02%)p99.99( 97.62%)d99.99( 2.36%) 0.0000 0.0104 0.0077 -0.0050 -0.0292 0.9060 -0.0097 0.3401 -0.0046 0.1966 -0.1124 -0.0017 -0.0274 0.0997 -0.0171 56. (0.00031) RY*( 3) C 3 s( 0.05%)p99.99( 7.48%)d99.99( 92.48%) 0.0000 0.0001 0.0216 -0.0006 -0.0014 0.0358 0.0005 0.0220 0.0085 -0.2701 0.1108 -0.8366 -0.3365 0.0969 -0.2999 57. (0.00025) RY*( 4) C 3 s( 0.53%)p99.99( 84.91%)d27.48( 14.56%) 0.0000 0.0004 0.0670 0.0285 -0.0023 -0.1627 -0.0000 -0.0782 0.0053 0.9036 0.0374 -0.3384 0.1622 0.0322 -0.0476 58. (0.00012) RY*( 5) C 3 s( 94.43%)p 0.00( 0.42%)d 0.05( 5.15%) 0.0000 0.0033 0.9625 0.1339 -0.0127 0.0284 0.0153 0.0097 -0.0010 -0.0539 0.0302 0.0085 -0.0168 -0.2163 0.0583 59. (0.00005) RY*( 6) C 3 s( 2.66%)p 0.86( 2.28%)d35.75( 95.06%) 60. (0.00002) RY*( 7) C 3 s( 60.79%)p 0.00( 0.28%)d 0.64( 38.92%) 61. (0.00001) RY*( 8) C 3 s( 2.22%)p 3.20( 7.12%)d40.78( 90.66%) 62. (0.00001) RY*( 9) C 3 s( 3.24%)p 2.29( 7.43%)d27.58( 89.33%) 63. (0.00000) RY*(10) C 3 s( 35.93%)p 0.00( 0.16%)d 1.78( 63.91%) 64. (0.00242) RY*( 1) C 4 s( 0.31%)p99.99( 92.36%)d23.46( 7.33%) -0.0000 -0.0132 0.0521 0.0154 -0.0218 -0.6098 -0.0227 -0.7251 -0.0054 -0.1577 -0.2622 -0.0229 -0.0501 0.0307 0.0242 65. (0.00146) RY*( 2) C 4 s( 0.16%)p99.99( 98.36%)d 9.39( 1.48%) -0.0000 -0.0008 0.0395 0.0048 0.0297 -0.7437 -0.0268 0.6503 0.0029 -0.0775 0.0006 0.0168 -0.0078 0.1203 0.0057 66. (0.00032) RY*( 3) C 4 s( 0.00%)p 1.00( 0.24%)d99.99( 99.76%) 0.0000 0.0000 0.0031 0.0016 -0.0017 -0.0098 -0.0008 -0.0019 0.0107 0.0467 0.0586 0.7080 -0.6689 -0.1701 0.1283 67. (0.00021) RY*( 4) C 4 s( 0.09%)p99.99( 89.01%)d99.99( 10.90%) 0.0000 0.0000 0.0298 0.0072 -0.0009 -0.1560 0.0002 -0.0710 0.0066 0.9277 -0.0505 0.1730 0.2634 -0.0040 0.0845 68. (0.00013) RY*( 5) C 4 s( 97.48%)p 0.00( 0.28%)d 0.02( 2.23%) 0.0000 0.0023 0.9815 0.1069 0.0114 0.0418 0.0158 -0.0132 0.0030 -0.0230 0.1481 -0.0024 0.0166 -0.0102 0.0050 69. (0.00005) RY*( 6) C 4 s( 0.07%)p22.91( 1.51%)d99.99( 98.42%) 70. (0.00001) RY*( 7) C 4 s( 97.88%)p 0.00( 0.20%)d 0.02( 1.92%) 71. (0.00000) RY*( 8) C 4 s( 2.06%)p 4.75( 9.81%)d42.72( 88.13%) 72. (0.00001) RY*( 9) C 4 s( 1.94%)p 3.91( 7.57%)d46.74( 90.49%) 73. (0.00001) RY*(10) C 4 s( 0.05%)p16.86( 0.79%)d99.99( 99.16%) 74. (0.00235) RY*( 1) C 5 s( 0.43%)p99.99( 91.81%)d18.07( 7.76%) -0.0000 -0.0127 0.0622 0.0162 -0.0299 -0.9248 0.0066 0.2034 -0.0047 -0.1434 0.1123 -0.0430 0.0328 -0.2475 0.0284 75. (0.00135) RY*( 2) C 5 s( 0.00%)p 1.00( 98.50%)d 0.02( 1.50%) 0.0000 0.0001 0.0019 -0.0002 -0.0081 0.1962 -0.0396 0.9664 -0.0043 0.1047 -0.1100 -0.0158 -0.0166 -0.0490 -0.0035 76. (0.00031) RY*( 3) C 5 s( 0.00%)p 1.00( 2.32%)d42.17( 97.68%) -0.0000 0.0000 0.0024 0.0008 0.0014 -0.0248 0.0007 -0.0131 -0.0083 0.1494 0.1719 -0.1301 -0.9493 -0.0480 -0.1639 77. (0.00024) RY*( 4) C 5 s( 0.04%)p99.99( 87.90%)d99.99( 12.06%) 0.0000 0.0001 0.0193 0.0033 0.0019 0.1591 0.0004 0.0679 -0.0091 -0.9214 0.0416 -0.3134 -0.0838 0.0503 -0.1054 78. (0.00011) RY*( 5) C 5 s( 96.54%)p 0.00( 0.09%)d 0.03( 3.37%) 0.0000 0.0026 0.9764 0.1101 0.0192 0.0100 -0.0045 -0.0055 0.0030 0.0184 -0.0690 0.0227 -0.0248 0.1629 0.0356 79. (0.00005) RY*( 6) C 5 s( 0.00%)p 1.00( 1.55%)d63.51( 98.45%) 80. (0.00001) RY*( 7) C 5 s( 99.70%)p 0.00( 0.04%)d 0.00( 0.27%) 81. (0.00001) RY*( 8) C 5 s( 0.21%)p 0.51( 0.11%)d99.99( 99.68%) 82. (0.00001) RY*( 9) C 5 s( 2.84%)p 2.84( 8.07%)d31.34( 89.09%) 83. (0.00000) RY*(10) C 5 s( 0.27%)p35.97( 9.76%)d99.99( 89.97%) 84. (0.00243) RY*( 1) C 6 s( 0.28%)p99.99( 92.36%)d25.83( 7.35%) 0.0000 -0.0132 0.0497 0.0142 -0.0110 -0.2697 0.0301 0.9216 0.0005 0.0206 0.1562 0.0364 0.0063 0.2155 0.0369 85. (0.00147) RY*( 2) C 6 s( 0.28%)p99.99( 98.25%)d 5.34( 1.48%) 0.0000 -0.0004 0.0524 0.0046 0.0377 -0.9335 0.0118 -0.2746 0.0068 -0.1844 -0.0918 0.0093 -0.0199 0.0762 0.0056 86. (0.00032) RY*( 3) C 6 s( 0.01%)p99.99( 1.50%)d99.99( 98.49%) -0.0000 -0.0001 0.0064 0.0088 0.0011 -0.0156 0.0005 -0.0055 -0.0092 0.1208 -0.1178 0.8972 0.2440 -0.1341 0.2976 87. (0.00021) RY*( 4) C 6 s( 1.17%)p74.57( 87.19%)d 9.96( 11.64%) -0.0000 0.0003 0.1073 0.0132 0.0016 0.1674 -0.0018 0.0681 -0.0079 -0.9160 -0.0651 0.0124 0.3312 0.0081 0.0477 88. (0.00013) RY*( 5) C 6 s( 96.17%)p 0.01( 1.22%)d 0.03( 2.61%) -0.0000 0.0023 0.9752 0.1037 0.0040 0.0342 -0.0193 -0.0021 -0.0004 0.1033 -0.0793 -0.0322 -0.0625 -0.1218 -0.0021 89. (0.00005) RY*( 6) C 6 s( 0.18%)p 8.17( 1.49%)d99.99( 98.32%) 90. (0.00001) RY*( 7) C 6 s( 98.79%)p 0.00( 0.12%)d 0.01( 1.09%) 91. (0.00000) RY*( 8) C 6 s( 1.05%)p 9.69( 10.21%)d84.26( 88.74%) 92. (0.00001) RY*( 9) C 6 s( 2.03%)p 3.74( 7.61%)d44.41( 90.35%) 93. (0.00001) RY*(10) C 6 s( 0.06%)p 3.20( 0.19%)d99.99( 99.75%) 94. (0.00239) RY*( 1) C 7 s( 0.03%)p99.99( 92.54%)d99.99( 7.43%) -0.0000 -0.0108 0.0109 0.0043 0.0204 0.6759 0.0194 0.6627 0.0052 0.1690 -0.2640 -0.0158 -0.0511 0.0326 0.0259 95. (0.00139) RY*( 2) C 7 s( 0.22%)p99.99( 97.55%)d 9.89( 2.22%) -0.0000 -0.0114 0.0426 0.0174 0.0226 -0.6916 -0.0190 0.7042 0.0023 -0.0228 -0.0308 -0.0568 0.0155 -0.1334 0.0018 96. (0.00030) RY*( 3) C 7 s( 0.68%)p 0.26( 0.17%)d99.99( 99.14%) 0.0000 0.0005 0.0805 0.0186 0.0003 0.0184 0.0007 -0.0231 -0.0102 0.0278 -0.0612 -0.7158 0.6457 0.1979 -0.1390 97. (0.00023) RY*( 4) C 7 s( 0.27%)p99.99( 90.50%)d34.27( 9.23%) 0.0000 0.0000 0.0519 0.0005 -0.0014 -0.1448 0.0002 -0.1036 0.0025 0.9345 0.0249 -0.1350 -0.2396 0.0831 -0.0956 98. (0.00014) RY*( 5) C 7 s( 96.82%)p 0.00( 0.44%)d 0.03( 2.73%) 0.0000 0.0040 0.9747 0.1346 -0.0181 0.0464 -0.0062 -0.0357 -0.0015 -0.0255 0.0407 0.0586 -0.0028 -0.1323 0.0686 99. (0.00005) RY*( 6) C 7 s( 3.09%)p 0.71( 2.21%)d30.65( 94.70%) 100. (0.00002) RY*( 7) C 7 s( 98.11%)p 0.00( 0.11%)d 0.02( 1.78%) 101. (0.00001) RY*( 8) C 7 s( 0.15%)p54.52( 8.14%)d99.99( 91.71%) 102. (0.00002) RY*( 9) C 7 s( 0.16%)p45.66( 7.25%)d99.99( 92.59%) 103. (0.00001) RY*(10) C 7 s( 0.51%)p 2.36( 1.20%)d99.99( 98.29%) 104. (0.00077) RY*( 1) H 8 s(100.00%) -0.0030 1.0000 105. (0.00044) RY*( 1) H 9 s(100.00%) -0.0014 1.0000 106. (0.00042) RY*( 1) H 10 s(100.00%) -0.0013 1.0000 107. (0.00044) RY*( 1) H 11 s(100.00%) -0.0014 1.0000 108. (0.00061) RY*( 1) H 12 s(100.00%) -0.0021 1.0000 109. (0.00257) RY*( 1) C 13 s( 1.60%)p59.41( 95.23%)d 1.97( 3.16%) 0.0000 -0.0046 0.1265 0.0029 0.0125 0.2108 -0.0426 -0.8488 -0.0208 -0.4301 -0.0765 -0.0200 -0.0573 -0.0697 -0.1314 110. (0.00120) RY*( 2) C 13 s( 8.50%)p 9.28( 78.87%)d 1.48( 12.62%) -0.0000 -0.0015 0.2910 0.0176 0.0036 0.5897 -0.0099 -0.1551 0.0075 0.6456 -0.1267 0.1345 -0.0420 -0.1421 0.2648 111. (0.00059) RY*( 3) C 13 s( 0.38%)p99.99( 89.69%)d26.46( 9.94%) 0.0000 0.0102 0.0604 -0.0008 0.0247 -0.7264 0.0049 -0.4025 -0.0032 0.4545 -0.1502 0.2696 0.0598 0.0165 0.0172 112. (0.00017) RY*( 4) C 13 s( 75.98%)p 0.13( 9.83%)d 0.19( 14.18%) -0.0000 -0.0029 0.8691 0.0674 0.0154 -0.1898 -0.0077 0.1772 0.0092 -0.1746 0.2641 0.0251 -0.0336 -0.2621 -0.0406 113. (0.00015) RY*( 5) C 13 s( 10.04%)p 0.15( 1.46%)d 8.82( 88.50%) -0.0000 -0.0015 0.3154 0.0304 0.0014 -0.0631 -0.0042 0.0733 0.0037 -0.0724 -0.6811 -0.4474 0.1001 0.4307 0.1593 114. (0.00005) RY*( 6) C 13 s( 2.23%)p 5.56( 12.39%)d38.29( 85.38%) 115. (0.00004) RY*( 7) C 13 s( 11.02%)p 0.70( 7.71%)d 7.37( 81.27%) 116. (0.00001) RY*( 8) C 13 s( 16.43%)p 0.13( 2.06%)d 4.96( 81.52%) 117. (0.00000) RY*( 9) C 13 s( 72.46%)p 0.03( 2.18%)d 0.35( 25.36%) 118. (0.00000) RY*(10) C 13 s( 1.32%)p 0.56( 0.74%)d74.35( 97.95%) 119. (0.00132) RY*( 1) C 14 s( 0.48%)p99.99( 90.31%)d19.05( 9.21%) 0.0000 -0.0053 0.0689 0.0074 0.0044 0.2615 0.0112 0.4347 -0.0161 -0.8033 -0.1986 0.2082 0.0259 -0.0182 0.0910 120. (0.00088) RY*( 2) C 14 s( 0.35%)p89.10( 30.82%)d99.99( 68.83%) -0.0000 -0.0012 0.0587 -0.0038 -0.0067 0.0000 0.0220 0.4504 0.0100 0.3237 -0.7259 -0.2641 -0.0960 0.0847 -0.2743 121. (0.00023) RY*( 3) C 14 s( 11.97%)p 7.30( 87.41%)d 0.05( 0.62%) -0.0000 -0.0043 0.3412 -0.0576 -0.0242 0.8899 -0.0023 -0.1069 -0.0087 0.2646 0.0492 0.0465 0.0219 0.0110 0.0314 122. (0.00003) RY*( 4) C 14 s( 30.42%)p 1.42( 43.27%)d 0.86( 26.31%) 123. (0.00000) RY*( 5) C 14 s( 95.68%)p 0.04( 3.91%)d 0.00( 0.40%) 124. (0.00000) RY*( 6) C 14 s( 60.37%)p 0.50( 30.28%)d 0.15( 9.35%) 125. (0.00000) RY*( 7) C 14 s( 0.01%)p 1.00( 9.12%)d 9.97( 90.88%) 126. (0.00000) RY*( 8) C 14 s( 0.63%)p 0.51( 0.32%)d99.99( 99.04%) 127. (0.00000) RY*( 9) C 14 s( 0.01%)p 1.00( 0.29%)d99.99( 99.70%) 128. (0.00000) RY*(10) C 14 s( 0.05%)p86.45( 4.53%)d99.99( 95.42%) 129. (0.00050) RY*( 1) H 15 s(100.00%) -0.0001 1.0000 130. (0.00086) RY*( 1) H 16 s(100.00%) -0.0007 1.0000 131. (0.00173) RY*( 1) H 17 s(100.00%) 0.0011 1.0000 132. (0.00056) RY*( 1) H 18 s(100.00%) -0.0065 1.0000 133. (0.00110) RY*( 1) H 19 s(100.00%) -0.0021 1.0000 134. (0.00181) RY*( 1) H 20 s(100.00%) -0.0002 1.0000 135. (0.01254) BD*( 1) C 1 - C 2 ( 50.40%) 0.7099* C 1 s( 27.89%)p 2.58( 72.06%)d 0.00( 0.05%) 0.0002 0.5280 -0.0098 0.0007 -0.8152 -0.0027 0.1885 -0.0052 -0.1429 0.0087 -0.0077 0.0060 -0.0009 0.0172 -0.0090 ( 49.60%) -0.7043* C 2 s( 31.52%)p 2.17( 68.44%)d 0.00( 0.03%) -0.0001 0.5614 0.0061 -0.0016 0.7985 -0.0177 -0.1722 -0.0049 0.1294 0.0034 -0.0061 0.0048 -0.0004 0.0132 -0.0098 136. (0.00743) BD*( 1) C 1 - C 13 ( 48.40%) 0.6957* C 1 s( 27.51%)p 2.63( 72.45%)d 0.00( 0.03%) -0.0001 -0.5243 0.0145 0.0000 -0.5260 -0.0116 -0.4004 0.0004 0.5359 0.0096 -0.0095 0.0128 0.0093 -0.0020 -0.0021 ( 51.60%) -0.7183* C 13 s( 33.67%)p 1.97( 66.29%)d 0.00( 0.03%) -0.0002 -0.5803 0.0010 -0.0017 0.5052 0.0130 0.4001 0.0088 -0.4974 -0.0061 -0.0086 0.0139 0.0077 0.0021 0.0004 137. (0.01291) BD*( 1) C 1 - H 19 ( 38.14%) 0.6176* C 1 s( 22.40%)p 3.46( 77.53%)d 0.00( 0.07%) 0.0001 -0.4732 -0.0098 0.0001 -0.2104 0.0034 -0.2128 0.0159 -0.8279 0.0007 -0.0021 -0.0093 -0.0101 -0.0009 -0.0219 ( 61.86%) -0.7865* H 19 s(100.00%) -1.0000 -0.0021 138. (0.02163) BD*( 1) C 1 - H 20 ( 39.51%) 0.6286* C 1 s( 22.23%)p 3.50( 77.70%)d 0.00( 0.07%) -0.0001 0.4714 0.0098 -0.0005 0.1168 0.0085 -0.8703 0.0091 -0.0750 0.0117 -0.0044 0.0003 0.0021 -0.0229 -0.0137 ( 60.49%) -0.7777* H 20 s(100.00%) 1.0000 0.0002 139. (0.01083) BD*( 1) C 2 - C 3 ( 49.26%) 0.7019* C 2 s( 34.57%)p 1.89( 65.40%)d 0.00( 0.04%) 0.0001 -0.5879 0.0044 -0.0009 0.5221 -0.0070 0.6032 0.0188 0.1308 0.0020 -0.0155 -0.0039 -0.0038 0.0008 0.0095 ( 50.74%) -0.7123* C 3 s( 35.46%)p 1.82( 64.50%)d 0.00( 0.04%) 0.0000 -0.5955 0.0049 -0.0022 -0.5456 -0.0221 -0.5727 0.0083 -0.1369 -0.0036 -0.0157 -0.0041 -0.0044 0.0027 0.0105 140. (0.16975) BD*( 2) C 2 - C 3 ( 50.62%) 0.7115* C 2 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) -0.0000 -0.0033 -0.0042 -0.0001 -0.1714 0.0039 -0.0678 0.0013 0.9826 -0.0068 0.0023 -0.0178 -0.0064 0.0022 -0.0062 ( 49.38%) -0.7027* C 3 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) -0.0000 -0.0022 -0.0002 0.0001 -0.1680 0.0001 -0.0725 0.0012 0.9829 -0.0077 -0.0034 0.0037 0.0184 0.0009 0.0035 141. (0.01183) BD*( 1) C 2 - C 7 ( 49.29%) 0.7021* C 2 s( 33.88%)p 1.95( 66.08%)d 0.00( 0.04%) 0.0002 -0.5820 0.0032 -0.0009 0.2438 -0.0095 -0.7752 -0.0137 -0.0129 -0.0053 0.0104 -0.0004 -0.0005 0.0123 0.0108 ( 50.71%) -0.7121* C 7 s( 35.14%)p 1.84( 64.82%)d 0.00( 0.04%) -0.0000 -0.5928 0.0042 -0.0025 -0.2740 -0.0211 0.7566 0.0015 0.0110 -0.0045 0.0089 -0.0004 -0.0010 0.0137 0.0114 142. (0.00742) BD*( 1) C 3 - C 4 ( 49.81%) 0.7058* C 3 s( 35.39%)p 1.82( 64.57%)d 0.00( 0.04%) 0.0001 -0.5948 0.0104 0.0003 0.7788 0.0215 -0.1527 0.0287 0.1205 0.0058 0.0085 -0.0048 0.0011 -0.0137 0.0103 ( 50.19%) -0.7085* C 4 s( 35.22%)p 1.84( 64.74%)d 0.00( 0.04%) 0.0000 -0.5934 0.0077 -0.0008 -0.7726 -0.0090 0.1882 0.0350 -0.1173 0.0011 0.0049 -0.0055 0.0005 -0.0153 0.0107 143. (0.00695) BD*( 1) C 3 - H 12 ( 38.31%) 0.6189* C 3 s( 29.10%)p 2.43( 70.85%)d 0.00( 0.05%) -0.0004 0.5393 0.0122 -0.0016 0.2568 -0.0103 -0.8013 0.0106 -0.0140 -0.0010 -0.0116 0.0001 0.0009 -0.0160 -0.0122 ( 61.69%) -0.7854* H 12 s(100.00%) 1.0000 0.0021 144. (0.00783) BD*( 1) C 4 - C 5 ( 49.95%) 0.7068* C 4 s( 35.28%)p 1.83( 64.68%)d 0.00( 0.04%) 0.0000 -0.5940 0.0079 -0.0006 0.2732 0.0355 -0.7555 -0.0062 -0.0105 0.0056 0.0083 -0.0003 -0.0011 0.0141 0.0111 ( 50.05%) -0.7075* C 5 s( 35.19%)p 1.84( 64.77%)d 0.00( 0.04%) 0.0000 -0.5932 0.0079 -0.0006 -0.2302 0.0248 0.7701 0.0260 0.0163 0.0061 0.0113 -0.0005 -0.0004 0.0120 0.0112 145. (0.16605) BD*( 2) C 4 - C 5 ( 50.21%) 0.7086* C 4 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) -0.0000 -0.0004 -0.0000 -0.0000 -0.1668 0.0022 -0.0737 0.0010 0.9829 -0.0132 -0.0036 0.0034 0.0189 0.0008 0.0035 ( 49.79%) -0.7056* C 5 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) -0.0000 0.0000 0.0001 0.0000 -0.1666 0.0023 -0.0706 0.0011 0.9832 -0.0137 0.0012 0.0143 -0.0131 -0.0035 0.0026 146. (0.00605) BD*( 1) C 4 - H 11 ( 38.17%) 0.6178* C 4 s( 29.46%)p 2.39( 70.49%)d 0.00( 0.05%) 0.0003 -0.5426 -0.0125 0.0012 0.5465 -0.0095 0.6218 -0.0115 0.1391 -0.0025 -0.0189 -0.0045 -0.0050 0.0026 0.0112 ( 61.83%) -0.7863* H 11 s(100.00%) -1.0000 -0.0014 147. (0.00794) BD*( 1) C 5 - C 6 ( 50.04%) 0.7074* C 5 s( 35.11%)p 1.85( 64.85%)d 0.00( 0.04%) -0.0001 0.5925 -0.0076 0.0007 0.5127 -0.0127 0.6061 0.0341 0.1304 0.0003 0.0159 0.0044 0.0041 0.0002 -0.0104 ( 49.96%) -0.7068* C 6 s( 35.19%)p 1.84( 64.77%)d 0.00( 0.04%) -0.0000 0.5931 -0.0077 0.0006 -0.5458 -0.0347 -0.5749 0.0096 -0.1342 -0.0051 0.0155 0.0037 0.0042 -0.0034 -0.0104 148. (0.00615) BD*( 1) C 5 - H 10 ( 38.18%) 0.6179* C 5 s( 29.66%)p 2.37( 70.29%)d 0.00( 0.05%) -0.0003 0.5445 0.0123 -0.0011 -0.8093 0.0141 0.1796 -0.0032 -0.1242 0.0022 -0.0081 0.0059 -0.0011 0.0173 -0.0114 ( 61.82%) -0.7862* H 10 s(100.00%) 1.0000 0.0013 149. (0.00739) BD*( 1) C 6 - C 7 ( 50.16%) 0.7083* C 6 s( 35.33%)p 1.83( 64.63%)d 0.00( 0.04%) -0.0000 0.5943 -0.0080 0.0008 0.7789 0.0221 -0.1550 0.0281 0.1192 0.0059 -0.0087 0.0049 -0.0010 0.0136 -0.0107 ( 49.84%) -0.7059* C 7 s( 35.50%)p 1.82( 64.46%)d 0.00( 0.04%) -0.0001 0.5957 -0.0114 -0.0000 -0.7706 -0.0085 0.1890 0.0353 -0.1173 0.0007 -0.0048 0.0053 -0.0007 0.0152 -0.0101 150. (0.16180) BD*( 2) C 6 - C 7 ( 50.00%) 0.7071* C 6 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) -0.0000 -0.0004 -0.0002 -0.0001 0.1652 -0.0019 0.0723 -0.0008 -0.9833 0.0127 -0.0010 -0.0144 0.0132 0.0034 -0.0026 ( 50.00%) -0.7071* C 7 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) -0.0000 -0.0013 0.0006 0.0002 0.1667 -0.0012 0.0737 -0.0004 -0.9830 0.0075 -0.0022 0.0177 0.0055 -0.0026 0.0060 151. (0.00613) BD*( 1) C 6 - H 9 ( 38.17%) 0.6178* C 6 s( 29.45%)p 2.39( 70.50%)d 0.00( 0.05%) 0.0003 -0.5425 -0.0127 0.0012 0.2567 -0.0044 -0.7992 0.0146 -0.0154 0.0004 0.0114 -0.0000 -0.0008 0.0161 0.0122 ( 61.83%) -0.7863* H 9 s(100.00%) -1.0000 -0.0014 152. (0.00720) BD*( 1) C 7 - H 8 ( 38.01%) 0.6165* C 7 s( 29.32%)p 2.41( 70.63%)d 0.00( 0.05%) 0.0004 -0.5413 -0.0122 0.0020 -0.5493 0.0129 -0.6206 0.0052 -0.1389 0.0025 -0.0189 -0.0045 -0.0048 0.0022 0.0114 ( 61.99%) -0.7873* H 8 s(100.00%) -1.0000 -0.0030 153. (0.00290) BD*( 1) C 13 - C 14 ( 50.76%) 0.7125* C 13 s( 34.01%)p 1.94( 65.96%)d 0.00( 0.03%) -0.0000 0.5831 -0.0101 0.0012 0.7948 0.0225 0.0392 0.0131 0.1598 -0.0118 -0.0019 0.0068 0.0034 0.0120 -0.0107 ( 49.24%) -0.7017* C 14 s( 28.79%)p 2.47( 71.17%)d 0.00( 0.04%) 0.0002 0.5363 -0.0164 0.0000 -0.8234 -0.0126 -0.0599 0.0051 -0.1730 -0.0086 0.0031 0.0067 0.0010 0.0156 -0.0087 154. (0.00607) BD*( 1) C 13 - H 18 ( 38.50%) 0.6205* C 13 s( 30.06%)p 2.33( 69.89%)d 0.00( 0.05%) 0.0002 -0.5480 -0.0147 0.0018 0.2504 -0.0024 -0.1324 -0.0086 0.7865 0.0046 0.0040 -0.0116 0.0027 0.0026 -0.0190 ( 61.50%) -0.7842* H 18 s(100.00%) -1.0000 -0.0065 155. (0.00442) BD*( 1) C 14 - H 15 ( 38.25%) 0.6185* C 14 s( 24.25%)p 3.12( 75.69%)d 0.00( 0.06%) 0.0000 -0.4924 -0.0025 0.0002 -0.3789 -0.0053 -0.6105 0.0052 0.4903 -0.0096 -0.0140 0.0108 0.0166 0.0064 -0.0002 ( 61.75%) -0.7858* H 15 s(100.00%) -1.0000 -0.0001 156. (0.00885) BD*( 1) C 14 - H 16 ( 38.83%) 0.6231* C 14 s( 23.90%)p 3.18( 76.04%)d 0.00( 0.07%) 0.0000 -0.4888 -0.0052 -0.0001 -0.1271 -0.0133 -0.2008 -0.0026 -0.8388 0.0064 -0.0025 -0.0067 -0.0087 0.0005 -0.0229 ( 61.17%) -0.7821* H 16 s(100.00%) -1.0000 -0.0007 157. (0.01946) BD*( 1) C 14 - H 17 ( 39.96%) 0.6322* C 14 s( 23.09%)p 3.33( 76.84%)d 0.00( 0.07%) -0.0000 -0.4805 -0.0054 0.0001 -0.4012 -0.0096 0.7631 -0.0074 0.1579 -0.0021 0.0200 0.0041 -0.0060 0.0115 0.0121 ( 60.04%) -0.7748* H 17 s(100.00%) -1.0000 0.0011 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 - C 13 128.1 37.1 129.1 36.7 1.1 52.7 218.3 1.2 5. BD ( 1) C 2 - C 3 99.6 227.5 99.3 230.4 2.9 80.1 44.8 2.6 6. BD ( 2) C 2 - C 3 99.6 227.5 169.5 21.7 89.8 169.4 23.0 89.9 7. BD ( 1) C 2 - C 7 89.3 108.8 88.7 106.5 2.4 90.5 291.3 2.4 8. BD ( 1) C 3 - C 4 98.5 167.7 98.9 171.2 3.5 81.9 344.1 3.6 10. BD ( 1) C 4 - C 5 89.1 108.3 89.7 112.1 3.8 91.6 284.5 3.9 11. BD ( 2) C 4 - C 5 89.1 108.3 169.5 23.8 89.9 10.4 202.9 90.1 13. BD ( 1) C 5 - C 6 80.5 48.1 80.9 52.0 3.9 99.8 224.2 3.8 15. BD ( 1) C 6 - C 7 81.5 347.4 81.2 351.0 3.5 98.2 163.9 3.5 16. BD ( 2) C 6 - C 7 81.5 347.4 10.4 203.7 90.0 10.5 203.9 90.0 19. BD ( 1) C 13 - C 14 78.4 3.6 79.8 3.7 1.3 -- -- -- 20. BD ( 1) C 13 - H 18 158.4 148.8 160.2 150.4 1.9 -- -- -- 33. LP ( 1) C 13 -- -- 70.8 103.6 -- -- -- -- 140. BD*( 2) C 2 - C 3 99.6 227.5 169.5 21.7 89.8 169.4 23.0 89.9 145. BD*( 2) C 4 - C 5 89.1 108.3 169.5 23.8 89.9 10.4 202.9 90.1 150. BD*( 2) C 6 - C 7 81.5 347.4 10.4 203.7 90.0 10.5 203.9 90.0 Second Order Perturbation Theory Analysis of Fock Matrix in NBO Basis Threshold for printing: 0.25 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 / 54. RY*( 1) C 3 0.69 1.90 0.046 1. BD ( 1) C 1 - C 2 / 94. RY*( 1) C 7 0.59 1.90 0.042 1. BD ( 1) C 1 - C 2 /110. RY*( 2) C 13 0.52 1.75 0.038 1. BD ( 1) C 1 - C 2 /136. BD*( 1) C 1 - C 13 0.50 1.04 0.029 1. BD ( 1) C 1 - C 2 /137. BD*( 1) C 1 - H 19 0.32 1.04 0.023 1. BD ( 1) C 1 - C 2 /139. BD*( 1) C 2 - C 3 1.00 1.20 0.044 1. BD ( 1) C 1 - C 2 /141. BD*( 1) C 2 - C 7 0.99 1.19 0.043 1. BD ( 1) C 1 - C 2 /142. BD*( 1) C 3 - C 4 1.11 1.20 0.046 1. BD ( 1) C 1 - C 2 /149. BD*( 1) C 6 - C 7 1.13 1.20 0.047 1. BD ( 1) C 1 - C 2 /153. BD*( 1) C 13 - C 14 0.98 1.05 0.041 2. BD ( 1) C 1 - C 13 / 45. RY*( 2) C 2 0.40 1.68 0.033 2. BD ( 1) C 1 - C 13 / 46. RY*( 3) C 2 0.35 1.49 0.029 2. BD ( 1) C 1 - C 13 /119. RY*( 1) C 14 0.51 1.45 0.034 2. BD ( 1) C 1 - C 13 /135. BD*( 1) C 1 - C 2 0.52 1.05 0.030 2. BD ( 1) C 1 - C 13 /138. BD*( 1) C 1 - H 20 0.30 1.05 0.023 2. BD ( 1) C 1 - C 13 /139. BD*( 1) C 2 - C 3 0.73 1.21 0.038 2. BD ( 1) C 1 - C 13 /140. BD*( 2) C 2 - C 3 0.67 0.67 0.029 2. BD ( 1) C 1 - C 13 /155. BD*( 1) C 14 - H 15 0.62 1.07 0.033 3. BD ( 1) C 1 - H 19 / 46. RY*( 3) C 2 0.42 1.36 0.030 3. BD ( 1) C 1 - H 19 /135. BD*( 1) C 1 - C 2 0.26 0.92 0.019 3. BD ( 1) C 1 - H 19 /139. BD*( 1) C 2 - C 3 0.69 1.08 0.035 3. BD ( 1) C 1 - H 19 /140. BD*( 2) C 2 - C 3 1.66 0.54 0.041 3. BD ( 1) C 1 - H 19 /154. BD*( 1) C 13 - H 18 1.39 0.97 0.047 4. BD ( 1) C 1 - H 20 / 45. RY*( 2) C 2 0.26 1.55 0.025 4. BD ( 1) C 1 - H 20 /109. RY*( 1) C 13 0.47 1.16 0.030 4. BD ( 1) C 1 - H 20 /141. BD*( 1) C 2 - C 7 2.01 1.07 0.059 5. BD ( 1) C 2 - C 3 / 34. RY*( 1) C 1 0.31 1.68 0.029 5. BD ( 1) C 2 - C 3 / 64. RY*( 1) C 4 0.40 1.96 0.035 5. BD ( 1) C 2 - C 3 / 65. RY*( 2) C 4 0.74 1.40 0.041 5. BD ( 1) C 2 - C 3 / 94. RY*( 1) C 7 0.27 1.97 0.029 5. BD ( 1) C 2 - C 3 / 95. RY*( 2) C 7 0.27 1.46 0.025 5. BD ( 1) C 2 - C 3 /135. BD*( 1) C 1 - C 2 0.89 1.11 0.040 5. BD ( 1) C 2 - C 3 /136. BD*( 1) C 1 - C 13 0.32 1.11 0.024 5. BD ( 1) C 2 - C 3 /141. BD*( 1) C 2 - C 7 1.68 1.26 0.058 5. BD ( 1) C 2 - C 3 /142. BD*( 1) C 3 - C 4 1.37 1.27 0.053 5. BD ( 1) C 2 - C 3 /143. BD*( 1) C 3 - H 12 0.59 1.15 0.033 5. BD ( 1) C 2 - C 3 /146. BD*( 1) C 4 - H 11 1.05 1.16 0.044 5. BD ( 1) C 2 - C 3 /152. BD*( 1) C 7 - H 8 1.11 1.16 0.045 6. BD ( 2) C 2 - C 3 / 67. RY*( 4) C 4 0.61 0.96 0.034 6. BD ( 2) C 2 - C 3 / 97. RY*( 4) C 7 0.64 0.97 0.035 6. BD ( 2) C 2 - C 3 /136. BD*( 1) C 1 - C 13 1.23 0.67 0.040 6. BD ( 2) C 2 - C 3 /137. BD*( 1) C 1 - H 19 1.34 0.67 0.041 6. BD ( 2) C 2 - C 3 /145. BD*( 2) C 4 - C 5 10.57 0.28 0.069 6. BD ( 2) C 2 - C 3 /150. BD*( 2) C 6 - C 7 9.79 0.28 0.066 7. BD ( 1) C 2 - C 7 / 34. RY*( 1) C 1 0.52 1.67 0.037 7. BD ( 1) C 2 - C 7 / 54. RY*( 1) C 3 0.26 1.96 0.029 7. BD ( 1) C 2 - C 7 / 55. RY*( 2) C 3 0.32 1.44 0.027 7. BD ( 1) C 2 - C 7 / 84. RY*( 1) C 6 0.40 1.95 0.035 7. BD ( 1) C 2 - C 7 / 85. RY*( 2) C 6 0.75 1.39 0.041 7. BD ( 1) C 2 - C 7 /135. BD*( 1) C 1 - C 2 0.87 1.10 0.039 7. BD ( 1) C 2 - C 7 /138. BD*( 1) C 1 - H 20 0.37 1.10 0.026 7. BD ( 1) C 2 - C 7 /139. BD*( 1) C 2 - C 3 1.65 1.27 0.058 7. BD ( 1) C 2 - C 7 /143. BD*( 1) C 3 - H 12 1.15 1.15 0.046 7. BD ( 1) C 2 - C 7 /149. BD*( 1) C 6 - C 7 1.36 1.27 0.053 7. BD ( 1) C 2 - C 7 /151. BD*( 1) C 6 - H 9 1.07 1.16 0.045 7. BD ( 1) C 2 - C 7 /152. BD*( 1) C 7 - H 8 0.56 1.15 0.032 8. BD ( 1) C 3 - C 4 / 44. RY*( 1) C 2 0.30 1.98 0.031 8. BD ( 1) C 3 - C 4 / 45. RY*( 2) C 2 1.06 1.74 0.054 8. BD ( 1) C 3 - C 4 / 74. RY*( 1) C 5 0.33 1.96 0.032 8. BD ( 1) C 3 - C 4 / 75. RY*( 2) C 5 0.69 1.39 0.039 8. BD ( 1) C 3 - C 4 /135. BD*( 1) C 1 - C 2 1.72 1.11 0.055 8. BD ( 1) C 3 - C 4 /139. BD*( 1) C 2 - C 3 1.52 1.27 0.056 8. BD ( 1) C 3 - C 4 /143. BD*( 1) C 3 - H 12 0.59 1.15 0.033 8. BD ( 1) C 3 - C 4 /144. BD*( 1) C 4 - C 5 1.28 1.27 0.051 8. BD ( 1) C 3 - C 4 /146. BD*( 1) C 4 - H 11 0.55 1.16 0.032 8. BD ( 1) C 3 - C 4 /148. BD*( 1) C 5 - H 10 1.17 1.16 0.047 9. BD ( 1) C 3 - H 12 / 44. RY*( 1) C 2 0.78 1.81 0.047 9. BD ( 1) C 3 - H 12 / 64. RY*( 1) C 4 0.55 1.79 0.040 9. BD ( 1) C 3 - H 12 /139. BD*( 1) C 2 - C 3 0.50 1.10 0.030 9. BD ( 1) C 3 - H 12 /141. BD*( 1) C 2 - C 7 2.00 1.09 0.059 9. BD ( 1) C 3 - H 12 /142. BD*( 1) C 3 - C 4 0.39 1.10 0.026 9. BD ( 1) C 3 - H 12 /144. BD*( 1) C 4 - C 5 1.75 1.10 0.055 10. BD ( 1) C 4 - C 5 / 54. RY*( 1) C 3 0.34 1.97 0.033 10. BD ( 1) C 4 - C 5 / 55. RY*( 2) C 3 0.73 1.45 0.041 10. BD ( 1) C 4 - C 5 / 84. RY*( 1) C 6 0.34 1.96 0.033 10. BD ( 1) C 4 - C 5 / 85. RY*( 2) C 6 0.72 1.40 0.040 10. BD ( 1) C 4 - C 5 /142. BD*( 1) C 3 - C 4 1.29 1.27 0.051 10. BD ( 1) C 4 - C 5 /143. BD*( 1) C 3 - H 12 1.17 1.16 0.047 10. BD ( 1) C 4 - C 5 /146. BD*( 1) C 4 - H 11 0.57 1.16 0.033 10. BD ( 1) C 4 - C 5 /147. BD*( 1) C 5 - C 6 1.24 1.27 0.050 10. BD ( 1) C 4 - C 5 /148. BD*( 1) C 5 - H 10 0.57 1.16 0.033 10. BD ( 1) C 4 - C 5 /151. BD*( 1) C 6 - H 9 1.18 1.16 0.047 11. BD ( 2) C 4 - C 5 / 57. RY*( 4) C 3 0.82 1.04 0.040 11. BD ( 2) C 4 - C 5 / 87. RY*( 4) C 6 0.74 0.98 0.037 11. BD ( 2) C 4 - C 5 /140. BD*( 2) C 2 - C 3 9.71 0.29 0.067 11. BD ( 2) C 4 - C 5 /150. BD*( 2) C 6 - C 7 10.13 0.28 0.068 12. BD ( 1) C 4 - H 11 / 54. RY*( 1) C 3 0.53 1.80 0.039 12. BD ( 1) C 4 - H 11 / 74. RY*( 1) C 5 0.55 1.79 0.040 12. BD ( 1) C 4 - H 11 /139. BD*( 1) C 2 - C 3 1.88 1.10 0.058 12. BD ( 1) C 4 - H 11 /142. BD*( 1) C 3 - C 4 0.39 1.10 0.026 12. BD ( 1) C 4 - H 11 /144. BD*( 1) C 4 - C 5 0.39 1.10 0.026 12. BD ( 1) C 4 - H 11 /147. BD*( 1) C 5 - C 6 1.75 1.10 0.055 13. BD ( 1) C 5 - C 6 / 64. RY*( 1) C 4 0.34 1.96 0.033 13. BD ( 1) C 5 - C 6 / 65. RY*( 2) C 4 0.73 1.40 0.040 13. BD ( 1) C 5 - C 6 / 94. RY*( 1) C 7 0.32 1.97 0.032 13. BD ( 1) C 5 - C 6 / 95. RY*( 2) C 7 0.75 1.46 0.042 13. BD ( 1) C 5 - C 6 /144. BD*( 1) C 4 - C 5 1.25 1.27 0.050 13. BD ( 1) C 5 - C 6 /146. BD*( 1) C 4 - H 11 1.19 1.16 0.047 13. BD ( 1) C 5 - C 6 /148. BD*( 1) C 5 - H 10 0.56 1.16 0.032 13. BD ( 1) C 5 - C 6 /149. BD*( 1) C 6 - C 7 1.30 1.27 0.051 13. BD ( 1) C 5 - C 6 /151. BD*( 1) C 6 - H 9 0.56 1.16 0.032 13. BD ( 1) C 5 - C 6 /152. BD*( 1) C 7 - H 8 1.17 1.16 0.047 14. BD ( 1) C 5 - H 10 / 64. RY*( 1) C 4 0.56 1.79 0.040 14. BD ( 1) C 5 - H 10 / 84. RY*( 1) C 6 0.56 1.79 0.040 14. BD ( 1) C 5 - H 10 /142. BD*( 1) C 3 - C 4 1.76 1.10 0.056 14. BD ( 1) C 5 - H 10 /144. BD*( 1) C 4 - C 5 0.40 1.10 0.027 14. BD ( 1) C 5 - H 10 /147. BD*( 1) C 5 - C 6 0.39 1.10 0.026 14. BD ( 1) C 5 - H 10 /149. BD*( 1) C 6 - C 7 1.75 1.11 0.056 15. BD ( 1) C 6 - C 7 / 44. RY*( 1) C 2 0.73 1.98 0.048 15. BD ( 1) C 6 - C 7 / 45. RY*( 2) C 2 0.55 1.74 0.039 15. BD ( 1) C 6 - C 7 / 74. RY*( 1) C 5 0.33 1.96 0.032 15. BD ( 1) C 6 - C 7 / 75. RY*( 2) C 5 0.69 1.39 0.039 15. BD ( 1) C 6 - C 7 /135. BD*( 1) C 1 - C 2 1.61 1.11 0.053 15. BD ( 1) C 6 - C 7 /141. BD*( 1) C 2 - C 7 1.53 1.27 0.056 15. BD ( 1) C 6 - C 7 /147. BD*( 1) C 5 - C 6 1.28 1.27 0.051 15. BD ( 1) C 6 - C 7 /148. BD*( 1) C 5 - H 10 1.16 1.16 0.046 15. BD ( 1) C 6 - C 7 /151. BD*( 1) C 6 - H 9 0.56 1.16 0.032 15. BD ( 1) C 6 - C 7 /152. BD*( 1) C 7 - H 8 0.61 1.16 0.034 16. BD ( 2) C 6 - C 7 / 77. RY*( 4) C 5 0.77 0.99 0.038 16. BD ( 2) C 6 - C 7 /140. BD*( 2) C 2 - C 3 10.23 0.29 0.069 16. BD ( 2) C 6 - C 7 /145. BD*( 2) C 4 - C 5 9.97 0.28 0.067 17. BD ( 1) C 6 - H 9 / 74. RY*( 1) C 5 0.55 1.79 0.040 17. BD ( 1) C 6 - H 9 / 94. RY*( 1) C 7 0.52 1.80 0.039 17. BD ( 1) C 6 - H 9 /141. BD*( 1) C 2 - C 7 1.88 1.10 0.057 17. BD ( 1) C 6 - H 9 /144. BD*( 1) C 4 - C 5 1.74 1.10 0.055 17. BD ( 1) C 6 - H 9 /147. BD*( 1) C 5 - C 6 0.37 1.10 0.026 17. BD ( 1) C 6 - H 9 /149. BD*( 1) C 6 - C 7 0.41 1.11 0.027 18. BD ( 1) C 7 - H 8 / 44. RY*( 1) C 2 0.70 1.80 0.045 18. BD ( 1) C 7 - H 8 / 84. RY*( 1) C 6 0.55 1.79 0.040 18. BD ( 1) C 7 - H 8 /139. BD*( 1) C 2 - C 3 1.99 1.10 0.059 18. BD ( 1) C 7 - H 8 /141. BD*( 1) C 2 - C 7 0.50 1.09 0.030 18. BD ( 1) C 7 - H 8 /147. BD*( 1) C 5 - C 6 1.78 1.10 0.056 18. BD ( 1) C 7 - H 8 /149. BD*( 1) C 6 - C 7 0.41 1.10 0.027 19. BD ( 1) C 13 - C 14 / 35. RY*( 2) C 1 0.32 1.64 0.029 19. BD ( 1) C 13 - C 14 /135. BD*( 1) C 1 - C 2 0.87 1.06 0.039 19. BD ( 1) C 13 - C 14 /155. BD*( 1) C 14 - H 15 0.28 1.08 0.022 20. BD ( 1) C 13 - H 18 / 34. RY*( 1) C 1 0.56 1.51 0.037 20. BD ( 1) C 13 - H 18 /119. RY*( 1) C 14 0.32 1.34 0.026 20. BD ( 1) C 13 - H 18 /137. BD*( 1) C 1 - H 19 1.00 0.95 0.039 20. BD ( 1) C 13 - H 18 /156. BD*( 1) C 14 - H 16 1.07 0.96 0.040 21. BD ( 1) C 14 - H 15 /136. BD*( 1) C 1 - C 13 1.67 0.93 0.050 22. BD ( 1) C 14 - H 16 /109. RY*( 1) C 13 0.26 1.16 0.022 22. BD ( 1) C 14 - H 16 /111. RY*( 3) C 13 0.27 1.35 0.024 22. BD ( 1) C 14 - H 16 /154. BD*( 1) C 13 - H 18 1.35 0.98 0.046 23. BD ( 1) C 14 - H 17 /109. RY*( 1) C 13 0.52 1.16 0.031 24. CR ( 1) C 1 / 44. RY*( 1) C 2 0.50 11.35 0.095 24. CR ( 1) C 1 /111. RY*( 3) C 13 0.46 10.91 0.090 24. CR ( 1) C 1 /139. BD*( 1) C 2 - C 3 0.31 10.64 0.073 24. CR ( 1) C 1 /141. BD*( 1) C 2 - C 7 0.31 10.64 0.073 25. CR ( 1) C 2 / 55. RY*( 2) C 3 0.72 10.81 0.111 25. CR ( 1) C 2 / 95. RY*( 2) C 7 0.73 10.82 0.112 25. CR ( 1) C 2 /142. BD*( 1) C 3 - C 4 0.36 10.63 0.078 25. CR ( 1) C 2 /143. BD*( 1) C 3 - H 12 0.32 10.52 0.073 25. CR ( 1) C 2 /149. BD*( 1) C 6 - C 7 0.35 10.64 0.077 25. CR ( 1) C 2 /152. BD*( 1) C 7 - H 8 0.31 10.52 0.072 26. CR ( 1) C 3 / 44. RY*( 1) C 2 0.50 11.33 0.095 26. CR ( 1) C 3 / 45. RY*( 2) C 2 0.60 11.10 0.103 26. CR ( 1) C 3 / 65. RY*( 2) C 4 0.84 10.75 0.120 26. CR ( 1) C 3 /135. BD*( 1) C 1 - C 2 0.47 10.46 0.089 26. CR ( 1) C 3 /141. BD*( 1) C 2 - C 7 0.42 10.62 0.085 26. CR ( 1) C 3 /144. BD*( 1) C 4 - C 5 0.36 10.62 0.079 26. CR ( 1) C 3 /146. BD*( 1) C 4 - H 11 0.32 10.51 0.074 27. CR ( 1) C 4 / 55. RY*( 2) C 3 0.74 10.81 0.113 27. CR ( 1) C 4 / 75. RY*( 2) C 5 0.81 10.75 0.118 27. CR ( 1) C 4 /139. BD*( 1) C 2 - C 3 0.41 10.63 0.084 27. CR ( 1) C 4 /143. BD*( 1) C 3 - H 12 0.34 10.51 0.076 27. CR ( 1) C 4 /147. BD*( 1) C 5 - C 6 0.35 10.63 0.077 27. CR ( 1) C 4 /148. BD*( 1) C 5 - H 10 0.34 10.52 0.076 28. CR ( 1) C 5 / 65. RY*( 2) C 4 0.77 10.76 0.115 28. CR ( 1) C 5 / 85. RY*( 2) C 6 0.76 10.76 0.114 28. CR ( 1) C 5 /142. BD*( 1) C 3 - C 4 0.36 10.63 0.079 28. CR ( 1) C 5 /146. BD*( 1) C 4 - H 11 0.34 10.52 0.076 28. CR ( 1) C 5 /149. BD*( 1) C 6 - C 7 0.36 10.63 0.078 28. CR ( 1) C 5 /151. BD*( 1) C 6 - H 9 0.33 10.52 0.075 29. CR ( 1) C 6 / 75. RY*( 2) C 5 0.80 10.75 0.117 29. CR ( 1) C 6 / 95. RY*( 2) C 7 0.69 10.82 0.109 29. CR ( 1) C 6 / 98. RY*( 5) C 7 0.27 11.11 0.069 29. CR ( 1) C 6 /141. BD*( 1) C 2 - C 7 0.41 10.62 0.084 29. CR ( 1) C 6 /144. BD*( 1) C 4 - C 5 0.35 10.63 0.077 29. CR ( 1) C 6 /148. BD*( 1) C 5 - H 10 0.34 10.52 0.075 29. CR ( 1) C 6 /152. BD*( 1) C 7 - H 8 0.34 10.52 0.076 30. CR ( 1) C 7 / 45. RY*( 2) C 2 1.09 11.10 0.139 30. CR ( 1) C 7 / 85. RY*( 2) C 6 0.87 10.75 0.122 30. CR ( 1) C 7 /135. BD*( 1) C 1 - C 2 0.43 10.46 0.085 30. CR ( 1) C 7 /139. BD*( 1) C 2 - C 3 0.41 10.62 0.084 30. CR ( 1) C 7 /147. BD*( 1) C 5 - C 6 0.37 10.62 0.079 30. CR ( 1) C 7 /151. BD*( 1) C 6 - H 9 0.32 10.51 0.074 31. CR ( 1) C 13 / 38. RY*( 5) C 1 0.33 11.56 0.078 31. CR ( 1) C 13 /121. RY*( 3) C 14 0.76 10.71 0.114 32. CR ( 1) C 14 /111. RY*( 3) C 13 0.35 10.91 0.078 33. LP ( 1) C 13 / 35. RY*( 2) C 1 0.31 1.21 0.025 33. LP ( 1) C 13 / 36. RY*( 3) C 1 0.42 1.86 0.036 33. LP ( 1) C 13 /120. RY*( 2) C 14 0.68 1.84 0.046 33. LP ( 1) C 13 /135. BD*( 1) C 1 - C 2 0.69 0.62 0.027 33. LP ( 1) C 13 /137. BD*( 1) C 1 - H 19 1.41 0.63 0.039 33. LP ( 1) C 13 /138. BD*( 1) C 1 - H 20 5.42 0.62 0.075 33. LP ( 1) C 13 /155. BD*( 1) C 14 - H 15 0.61 0.65 0.026 33. LP ( 1) C 13 /156. BD*( 1) C 14 - H 16 1.50 0.64 0.040 33. LP ( 1) C 13 /157. BD*( 1) C 14 - H 17 5.68 0.62 0.077 140. BD*( 2) C 2 - C 3 / 56. RY*( 3) C 3 0.32 1.81 0.073 140. BD*( 2) C 2 - C 3 / 57. RY*( 4) C 3 0.67 0.75 0.069 140. BD*( 2) C 2 - C 3 /136. BD*( 1) C 1 - C 13 0.47 0.38 0.040 140. BD*( 2) C 2 - C 3 /137. BD*( 1) C 1 - H 19 0.55 0.39 0.043 145. BD*( 2) C 4 - C 5 / 67. RY*( 4) C 4 1.17 0.69 0.088 145. BD*( 2) C 4 - C 5 / 77. RY*( 4) C 5 0.85 0.70 0.076 150. BD*( 2) C 6 - C 7 / 87. RY*( 4) C 6 0.89 0.70 0.078 150. BD*( 2) C 6 - C 7 / 97. RY*( 4) C 7 1.00 0.69 0.082 Natural Bond Orbitals (Summary): Principal Delocalizations NBO Occupancy Energy (geminal,vicinal,remote) ==================================================================================== Molecular unit 1 (C9H11) 1. BD ( 1) C 1 - C 2 0.98917 -0.60393 149(v),142(v),139(g),153(v) 141(g),54(v),94(v),110(v) 136(g),137(g) 2. BD ( 1) C 1 - C 13 0.99148 -0.61843 140(v),139(v),155(v),135(g) 119(v),45(v),46(v),138(g) 3. BD ( 1) C 1 - H 19 0.98695 -0.48513 140(v),154(v),139(v),46(v) 135(g) 4. BD ( 1) C 1 - H 20 0.99402 -0.48768 141(v),109(v),45(v) 5. BD ( 1) C 2 - C 3 0.98814 -0.67722 141(g),142(g),152(v),146(v) 135(g),65(v),143(g),64(v) 136(v),34(v),95(v),94(v) 6. BD ( 2) C 2 - C 3 0.82951 -0.23217 145(v),150(v),137(v),136(v) 97(v),67(v) 7. BD ( 1) C 2 - C 7 0.98736 -0.67280 139(g),149(g),143(v),151(v) 135(g),85(v),152(g),34(v) 84(v),138(v),55(v),54(v) 8. BD ( 1) C 3 - C 4 0.98987 -0.67721 135(v),139(g),144(g),148(v) 45(v),75(v),143(g),146(g) 74(v),44(v) 9. BD ( 1) C 3 - H 12 0.99116 -0.50777 141(v),144(v),44(v),64(v) 139(g),142(g) 10. BD ( 1) C 4 - C 5 0.99035 -0.67869 142(g),147(g),151(v),143(v) 55(v),85(v),148(g),146(g) 54(v),84(v) 11. BD ( 2) C 4 - C 5 0.83660 -0.23504 150(v),140(v),57(v),87(v) 12. BD ( 1) C 4 - H 11 0.99148 -0.51019 139(v),147(v),74(v),54(v) 142(g),144(g) 13. BD ( 1) C 5 - C 6 0.99040 -0.67717 149(g),144(g),146(v),152(v) 95(v),65(v),148(g),151(g) 64(v),94(v) 14. BD ( 1) C 5 - H 10 0.99159 -0.51052 142(v),149(v),64(v),84(v) 144(g),147(g) 15. BD ( 1) C 6 - C 7 0.98994 -0.67855 135(v),141(g),147(g),148(v) 44(v),75(v),152(g),151(g) 45(v),74(v) 16. BD ( 2) C 6 - C 7 0.83767 -0.23477 140(v),145(v),77(v) 17. BD ( 1) C 6 - H 9 0.99153 -0.50983 141(v),144(v),74(v),94(v) 149(g),147(g) 18. BD ( 1) C 7 - H 8 0.99103 -0.50604 139(v),147(v),44(v),84(v) 141(g),149(g) 19. BD ( 1) C 13 - C 14 0.99589 -0.62451 135(v),35(v),155(g) 20. BD ( 1) C 13 - H 18 0.99254 -0.51166 156(v),137(v),34(v),119(v) 21. BD ( 1) C 14 - H 15 0.99529 -0.49278 136(v) 22. BD ( 1) C 14 - H 16 0.99570 -0.49259 154(v),111(v),109(v) 23. BD ( 1) C 14 - H 17 0.99807 -0.49174 109(v) 24. CR ( 1) C 1 0.99962 -10.04835 44(v),111(v),141(v),139(v) 25. CR ( 1) C 2 0.99951 -10.03942 95(v),55(v),142(v),149(v) 143(v),152(v) 26. CR ( 1) C 3 0.99951 -10.03189 65(v),45(v),44(v),135(v) 141(v),144(v),146(v) 27. CR ( 1) C 4 0.99955 -10.03707 75(v),55(v),139(v),147(v) 148(v),143(v) 28. CR ( 1) C 5 0.99955 -10.03643 65(v),85(v),142(v),149(v) 146(v),151(v) 29. CR ( 1) C 6 0.99955 -10.03696 75(v),95(v),141(v),144(v) 152(v),148(v),98(v) 30. CR ( 1) C 7 0.99951 -10.03080 45(v),85(v),135(v),139(v) 147(v),151(v) 31. CR ( 1) C 13 0.99967 -10.06481 121(v),38(v) 32. CR ( 1) C 14 0.99971 -10.04932 111(v) 33. LP ( 1) C 13 0.93752 -0.19170 157(v),138(v),156(v),137(v) 135(v),120(v),155(v),36(v) 35(v) 34. RY*( 1) C 1 0.00247 1.00136 35. RY*( 2) C 1 0.00115 1.01847 36. RY*( 3) C 1 0.00066 1.66929 37. RY*( 4) C 1 0.00025 1.25684 38. RY*( 5) C 1 0.00014 1.49573 39. RY*( 6) C 1 0.00009 1.61927 40. RY*( 7) C 1 0.00001 4.30357 41. RY*( 8) C 1 0.00001 2.01427 42. RY*( 9) C 1 0.00001 2.07936 43. RY*( 10) C 1 0.00001 2.11567 44. RY*( 1) C 2 0.00268 1.29808 45. RY*( 2) C 2 0.00217 1.06519 46. RY*( 3) C 2 0.00125 0.87030 47. RY*( 4) C 2 0.00033 1.70993 48. RY*( 5) C 2 0.00030 1.26847 49. RY*( 6) C 2 0.00011 2.36718 50. RY*( 7) C 2 0.00007 1.86891 51. RY*( 8) C 2 0.00003 3.76262 52. RY*( 9) C 2 0.00004 2.31259 53. RY*( 10) C 2 0.00001 2.82518 54. RY*( 1) C 3 0.00246 1.29147 55. RY*( 2) C 3 0.00123 0.77053 56. RY*( 3) C 3 0.00031 1.86189 57. RY*( 4) C 3 0.00025 0.80198 58. RY*( 5) C 3 0.00012 1.14211 59. RY*( 6) C 3 0.00005 2.35268 60. RY*( 7) C 3 0.00002 3.47864 61. RY*( 8) C 3 0.00001 1.80719 62. RY*( 9) C 3 0.00001 2.26216 63. RY*( 10) C 3 0.00000 2.90054 64. RY*( 1) C 4 0.00242 1.27963 65. RY*( 2) C 4 0.00146 0.71868 66. RY*( 3) C 4 0.00032 1.95295 67. RY*( 4) C 4 0.00021 0.73174 68. RY*( 5) C 4 0.00013 1.13641 69. RY*( 6) C 4 0.00005 2.37303 70. RY*( 7) C 4 0.00001 4.05834 71. RY*( 8) C 4 0.00000 1.79975 72. RY*( 9) C 4 0.00001 2.20454 73. RY*( 10) C 4 0.00001 2.25431 74. RY*( 1) C 5 0.00235 1.28464 75. RY*( 2) C 5 0.00135 0.71387 76. RY*( 3) C 5 0.00031 1.92255 77. RY*( 4) C 5 0.00024 0.75124 78. RY*( 5) C 5 0.00011 1.13217 79. RY*( 6) C 5 0.00005 2.37353 80. RY*( 7) C 5 0.00001 4.11601 81. RY*( 8) C 5 0.00001 2.29375 82. RY*( 9) C 5 0.00001 2.17959 83. RY*( 10) C 5 0.00000 1.73058 84. RY*( 1) C 6 0.00243 1.27967 85. RY*( 2) C 6 0.00147 0.72006 86. RY*( 3) C 6 0.00032 1.93611 87. RY*( 4) C 6 0.00021 0.74992 88. RY*( 5) C 6 0.00013 1.13649 89. RY*( 6) C 6 0.00005 2.37563 90. RY*( 7) C 6 0.00001 4.08625 91. RY*( 8) C 6 0.00000 1.74067 92. RY*( 9) C 6 0.00001 2.19947 93. RY*( 10) C 6 0.00001 2.29369 94. RY*( 1) C 7 0.00239 1.29436 95. RY*( 2) C 7 0.00139 0.78259 96. RY*( 3) C 7 0.00030 1.95421 97. RY*( 4) C 7 0.00023 0.73407 98. RY*( 5) C 7 0.00014 1.07514 99. RY*( 6) C 7 0.00005 2.38799 100. RY*( 7) C 7 0.00002 4.16458 101. RY*( 8) C 7 0.00001 1.78081 102. RY*( 9) C 7 0.00002 2.25066 103. RY*( 10) C 7 0.00001 2.29726 104. RY*( 1) H 8 0.00077 0.59299 105. RY*( 1) H 9 0.00044 0.57054 106. RY*( 1) H 10 0.00042 0.56976 107. RY*( 1) H 11 0.00044 0.56988 108. RY*( 1) H 12 0.00061 0.58635 109. RY*( 1) C 13 0.00257 0.66961 110. RY*( 2) C 13 0.00120 1.14581 111. RY*( 3) C 13 0.00059 0.85669 112. RY*( 4) C 13 0.00017 1.09788 113. RY*( 5) C 13 0.00015 1.80881 114. RY*( 6) C 13 0.00005 2.06703 115. RY*( 7) C 13 0.00004 2.26540 116. RY*( 8) C 13 0.00001 2.36697 117. RY*( 9) C 13 0.00000 3.54790 118. RY*( 10) C 13 0.00000 1.96344 119. RY*( 1) C 14 0.00132 0.82889 120. RY*( 2) C 14 0.00088 1.64342 121. RY*( 3) C 14 0.00023 0.64113 122. RY*( 4) C 14 0.00003 1.34733 123. RY*( 5) C 14 0.00000 3.85631 124. RY*( 6) C 14 0.00000 1.25404 125. RY*( 7) C 14 0.00000 1.87463 126. RY*( 8) C 14 0.00000 2.01753 127. RY*( 9) C 14 0.00000 2.16479 128. RY*( 10) C 14 0.00000 1.99379 129. RY*( 1) H 15 0.00050 0.64461 130. RY*( 1) H 16 0.00086 0.65882 131. RY*( 1) H 17 0.00173 0.65283 132. RY*( 1) H 18 0.00056 0.61639 133. RY*( 1) H 19 0.00110 0.66793 134. RY*( 1) H 20 0.00181 0.67871 135. BD*( 1) C 1 - C 2 0.01254 0.43125 136. BD*( 1) C 1 - C 13 0.00743 0.43402 137. BD*( 1) C 1 - H 19 0.01291 0.43759 138. BD*( 1) C 1 - H 20 0.02163 0.42706 139. BD*( 1) C 2 - C 3 0.01083 0.59384 140. BD*( 2) C 2 - C 3 0.16975 0.05157 150(v),145(v),57(g),137(v) 136(v),56(g) 141. BD*( 1) C 2 - C 7 0.01183 0.58719 142. BD*( 1) C 3 - C 4 0.00742 0.59249 143. BD*( 1) C 3 - H 12 0.00695 0.47672 144. BD*( 1) C 4 - C 5 0.00783 0.59300 145. BD*( 2) C 4 - C 5 0.16605 0.04649 150(v),140(v),67(g),77(g) 146. BD*( 1) C 4 - H 11 0.00605 0.48197 147. BD*( 1) C 5 - C 6 0.00794 0.59000 148. BD*( 1) C 5 - H 10 0.00615 0.48312 149. BD*( 1) C 6 - C 7 0.00739 0.59723 150. BD*( 2) C 6 - C 7 0.16180 0.04779 145(v),140(v),97(g),87(g) 151. BD*( 1) C 6 - H 9 0.00613 0.48228 152. BD*( 1) C 7 - H 8 0.00720 0.48176 153. BD*( 1) C 13 - C 14 0.00290 0.44289 154. BD*( 1) C 13 - H 18 0.00607 0.48678 155. BD*( 1) C 14 - H 15 0.00442 0.45616 156. BD*( 1) C 14 - H 16 0.00885 0.44556 157. BD*( 1) C 14 - H 17 0.01946 0.42832 ------------------------------- Total Lewis 32.26945 ( 97.7862%) Valence non-Lewis 0.67954 ( 2.0592%) Rydberg non-Lewis 0.05101 ( 0.1546%) ------------------------------- Total unit 1 33.00000 (100.0000%) Charge unit 1 -0.50000 *************************************************** ******* Beta spin orbitals ******* *************************************************** NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy Energy ---------------------------------------------------------- 1 C 1 S Cor( 1S) 0.99962 -10.04919 2 C 1 S Val( 2S) 0.52180 -0.23086 3 C 1 S Ryd( 3S) 0.00036 1.39981 4 C 1 S Ryd( 4S) 0.00001 4.31613 5 C 1 px Val( 2p) 0.53704 -0.06867 6 C 1 px Ryd( 3p) 0.00125 0.67331 7 C 1 py Val( 2p) 0.61591 -0.08774 8 C 1 py Ryd( 3p) 0.00176 0.79664 9 C 1 pz Val( 2p) 0.60625 -0.08619 10 C 1 pz Ryd( 3p) 0.00070 0.70236 11 C 1 dxy Ryd( 3d) 0.00023 2.13124 12 C 1 dxz Ryd( 3d) 0.00034 2.08167 13 C 1 dyz Ryd( 3d) 0.00015 1.99976 14 C 1 dx2y2 Ryd( 3d) 0.00041 2.28093 15 C 1 dz2 Ryd( 3d) 0.00044 2.21302 16 C 2 S Cor( 1S) 0.99951 -10.03889 17 C 2 S Val( 2S) 0.43926 -0.12926 18 C 2 S Ryd( 3S) 0.00032 1.04700 19 C 2 S Ryd( 4S) 0.00003 4.27081 20 C 2 px Val( 2p) 0.52562 -0.03382 21 C 2 px Ryd( 3p) 0.00260 1.19483 22 C 2 py Val( 2p) 0.54361 -0.03435 23 C 2 py Ryd( 3p) 0.00230 0.98950 24 C 2 pz Val( 2p) 0.49377 -0.08398 25 C 2 pz Ryd( 3p) 0.00111 0.72593 26 C 2 dxy Ryd( 3d) 0.00039 2.45912 27 C 2 dxz Ryd( 3d) 0.00028 1.97995 28 C 2 dyz Ryd( 3d) 0.00026 1.97413 29 C 2 dx2y2 Ryd( 3d) 0.00034 2.42988 30 C 2 dz2 Ryd( 3d) 0.00019 2.28949 31 C 3 S Cor( 1S) 0.99951 -10.03151 32 C 3 S Val( 2S) 0.47585 -0.15159 33 C 3 S Ryd( 3S) 0.00027 1.27128 34 C 3 S Ryd( 4S) 0.00002 3.97725 35 C 3 px Val( 2p) 0.53860 -0.02999 36 C 3 px Ryd( 3p) 0.00176 0.78949 37 C 3 py Val( 2p) 0.58998 -0.04372 38 C 3 py Ryd( 3p) 0.00253 1.09246 39 C 3 pz Val( 2p) 0.50611 -0.09191 40 C 3 pz Ryd( 3p) 0.00032 0.63846 41 C 3 dxy Ryd( 3d) 0.00036 2.37731 42 C 3 dxz Ryd( 3d) 0.00024 1.99899 43 C 3 dyz Ryd( 3d) 0.00017 1.86375 44 C 3 dx2y2 Ryd( 3d) 0.00040 2.40672 45 C 3 dz2 Ryd( 3d) 0.00022 2.26950 46 C 4 S Cor( 1S) 0.99955 -10.03668 47 C 4 S Val( 2S) 0.47993 -0.15972 48 C 4 S Ryd( 3S) 0.00028 1.26886 49 C 4 S Ryd( 4S) 0.00002 3.95887 50 C 4 px Val( 2p) 0.55804 -0.03448 51 C 4 px Ryd( 3p) 0.00235 0.87933 52 C 4 py Val( 2p) 0.56848 -0.03774 53 C 4 py Ryd( 3p) 0.00248 0.94321 54 C 4 pz Val( 2p) 0.50027 -0.09150 55 C 4 pz Ryd( 3p) 0.00037 0.64386 56 C 4 dxy Ryd( 3d) 0.00043 2.36691 57 C 4 dxz Ryd( 3d) 0.00022 1.93797 58 C 4 dyz Ryd( 3d) 0.00022 1.89374 59 C 4 dx2y2 Ryd( 3d) 0.00031 2.38653 60 C 4 dz2 Ryd( 3d) 0.00021 2.24867 61 C 5 S Cor( 1S) 0.99955 -10.03607 62 C 5 S Val( 2S) 0.48096 -0.16084 63 C 5 S Ryd( 3S) 0.00026 1.26048 64 C 5 S Ryd( 4S) 0.00002 3.96455 65 C 5 px Val( 2p) 0.59271 -0.04561 66 C 5 px Ryd( 3p) 0.00246 1.10055 67 C 5 py Val( 2p) 0.53473 -0.02745 68 C 5 py Ryd( 3p) 0.00221 0.71712 69 C 5 pz Val( 2p) 0.50649 -0.09198 70 C 5 pz Ryd( 3p) 0.00043 0.64176 71 C 5 dxy Ryd( 3d) 0.00033 2.38357 72 C 5 dxz Ryd( 3d) 0.00018 1.86188 73 C 5 dyz Ryd( 3d) 0.00025 1.97008 74 C 5 dx2y2 Ryd( 3d) 0.00041 2.36777 75 C 5 dz2 Ryd( 3d) 0.00021 2.24716 76 C 6 S Cor( 1S) 0.99955 -10.03658 77 C 6 S Val( 2S) 0.48004 -0.15944 78 C 6 S Ryd( 3S) 0.00029 1.26782 79 C 6 S Ryd( 4S) 0.00002 3.96336 80 C 6 px Val( 2p) 0.53694 -0.02819 81 C 6 px Ryd( 3p) 0.00225 0.73859 82 C 6 py Val( 2p) 0.59169 -0.04406 83 C 6 py Ryd( 3p) 0.00261 1.09617 84 C 6 pz Val( 2p) 0.49817 -0.09084 85 C 6 pz Ryd( 3p) 0.00036 0.63337 86 C 6 dxy Ryd( 3d) 0.00035 2.37443 87 C 6 dxz Ryd( 3d) 0.00026 1.99522 88 C 6 dyz Ryd( 3d) 0.00017 1.84478 89 C 6 dx2y2 Ryd( 3d) 0.00040 2.37059 90 C 6 dz2 Ryd( 3d) 0.00022 2.25228 91 C 7 S Cor( 1S) 0.99951 -10.03039 92 C 7 S Val( 2S) 0.47587 -0.15029 93 C 7 S Ryd( 3S) 0.00030 1.19757 94 C 7 S Ryd( 4S) 0.00002 4.05688 95 C 7 px Val( 2p) 0.56104 -0.03677 96 C 7 px Ryd( 3p) 0.00193 0.95542 97 C 7 py Val( 2p) 0.56681 -0.03418 98 C 7 py Ryd( 3p) 0.00228 0.93519 99 C 7 pz Val( 2p) 0.50574 -0.09198 100 C 7 pz Ryd( 3p) 0.00033 0.65774 101 C 7 dxy Ryd( 3d) 0.00044 2.39129 102 C 7 dxz Ryd( 3d) 0.00022 1.94026 103 C 7 dyz Ryd( 3d) 0.00021 1.91144 104 C 7 dx2y2 Ryd( 3d) 0.00031 2.41814 105 C 7 dz2 Ryd( 3d) 0.00020 2.27344 106 H 8 S Val( 1S) 0.38170 0.10101 107 H 8 S Ryd( 2S) 0.00049 0.59366 108 H 9 S Val( 1S) 0.38217 0.09993 109 H 9 S Ryd( 2S) 0.00044 0.57129 110 H 10 S Val( 1S) 0.38227 0.10022 111 H 10 S Ryd( 2S) 0.00042 0.57049 112 H 11 S Val( 1S) 0.38225 0.09947 113 H 11 S Ryd( 2S) 0.00044 0.57062 114 H 12 S Val( 1S) 0.38395 0.09565 115 H 12 S Ryd( 2S) 0.00052 0.58733 116 C 13 S Cor( 1S) 0.99964 -10.05242 117 C 13 S Val( 2S) 0.48163 -0.17927 118 C 13 S Ryd( 3S) 0.00045 1.00198 119 C 13 S Ryd( 4S) 0.00001 4.22361 120 C 13 px Val( 2p) 0.46555 -0.00344 121 C 13 px Ryd( 3p) 0.00124 0.79111 122 C 13 py Val( 2p) 0.14112 -0.00484 123 C 13 py Ryd( 3p) 0.00070 0.66716 124 C 13 pz Val( 2p) 0.49113 -0.00665 125 C 13 pz Ryd( 3p) 0.00093 0.85057 126 C 13 dxy Ryd( 3d) 0.00022 2.05224 127 C 13 dxz Ryd( 3d) 0.00030 2.18300 128 C 13 dyz Ryd( 3d) 0.00022 2.01410 129 C 13 dx2y2 Ryd( 3d) 0.00038 2.24472 130 C 13 dz2 Ryd( 3d) 0.00050 2.16054 131 C 14 S Cor( 1S) 0.99971 -10.05025 132 C 14 S Val( 2S) 0.55982 -0.26157 133 C 14 S Ryd( 3S) 0.00018 1.25944 134 C 14 S Ryd( 4S) 0.00000 4.21550 135 C 14 px Val( 2p) 0.57627 -0.07893 136 C 14 px Ryd( 3p) 0.00048 0.54381 137 C 14 py Val( 2p) 0.62717 -0.08438 138 C 14 py Ryd( 3p) 0.00030 0.65734 139 C 14 pz Val( 2p) 0.62497 -0.08306 140 C 14 pz Ryd( 3p) 0.00093 0.65857 141 C 14 dxy Ryd( 3d) 0.00023 2.03609 142 C 14 dxz Ryd( 3d) 0.00020 1.96593 143 C 14 dyz Ryd( 3d) 0.00025 1.99966 144 C 14 dx2y2 Ryd( 3d) 0.00031 2.14377 145 C 14 dz2 Ryd( 3d) 0.00043 2.15929 146 H 15 S Val( 1S) 0.37472 0.09263 147 H 15 S Ryd( 2S) 0.00037 0.64577 148 H 16 S Val( 1S) 0.37463 0.08585 149 H 16 S Ryd( 2S) 0.00045 0.66137 150 H 17 S Val( 1S) 0.35381 0.08651 151 H 17 S Ryd( 2S) 0.00027 0.65950 152 H 18 S Val( 1S) 0.41195 0.09033 153 H 18 S Ryd( 2S) 0.00056 0.61767 154 H 19 S Val( 1S) 0.36577 0.08698 155 H 19 S Ryd( 2S) 0.00071 0.67157 156 H 20 S Val( 1S) 0.35125 0.08782 157 H 20 S Ryd( 2S) 0.00049 0.68567 Summary of Natural Population Analysis: Natural Population Natural ----------------------------------------------- Atom No Charge Core Valence Rydberg Total ----------------------------------------------------------------------- C 1 -0.28627 0.99962 2.28100 0.00565 3.28627 C 2 -0.00958 0.99951 2.00226 0.00781 3.00958 C 3 -0.11633 0.99951 2.11054 0.00629 3.11633 C 4 -0.11315 0.99955 2.10671 0.00690 3.11315 C 5 -0.12121 0.99955 2.11490 0.00676 3.12121 C 6 -0.11332 0.99955 2.10684 0.00693 3.11332 C 7 -0.11522 0.99951 2.10945 0.00626 3.11522 H 8 0.11781 0.00000 0.38170 0.00049 0.38219 H 9 0.11738 0.00000 0.38217 0.00044 0.38262 H 10 0.11730 0.00000 0.38227 0.00042 0.38270 H 11 0.11731 0.00000 0.38225 0.00044 0.38269 H 12 0.11553 0.00000 0.38395 0.00052 0.38447 C 13 0.41598 0.99964 1.57943 0.00495 2.58402 C 14 -0.39126 0.99971 2.38824 0.00331 3.39126 H 15 0.12491 0.00000 0.37472 0.00037 0.37509 H 16 0.12492 0.00000 0.37463 0.00045 0.37508 H 17 0.14592 0.00000 0.35381 0.00027 0.35408 H 18 0.08749 0.00000 0.41195 0.00056 0.41251 H 19 0.13352 0.00000 0.36577 0.00071 0.36648 H 20 0.14826 0.00000 0.35125 0.00049 0.35174 ======================================================================= * Total * 0.50000 8.99615 22.94384 0.06001 32.00000 Natural Population -------------------------------------------------------- Core 8.99615 ( 99.9572% of 9) Valence 22.94384 ( 99.7558% of 23) Natural Minimal Basis 31.93999 ( 99.8125% of 32) Natural Rydberg Basis 0.06001 ( 0.1875% of 32) -------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- C 1 [core]2S( 0.52)2p( 1.76) C 2 [core]2S( 0.44)2p( 1.56)3p( 0.01) C 3 [core]2S( 0.48)2p( 1.63) C 4 [core]2S( 0.48)2p( 1.63)3p( 0.01) C 5 [core]2S( 0.48)2p( 1.63)3p( 0.01) C 6 [core]2S( 0.48)2p( 1.63)3p( 0.01) C 7 [core]2S( 0.48)2p( 1.63) H 8 1S( 0.38) H 9 1S( 0.38) H 10 1S( 0.38) H 11 1S( 0.38) H 12 1S( 0.38) C 13 [core]2S( 0.48)2p( 1.10) C 14 [core]2S( 0.56)2p( 1.83) H 15 1S( 0.37) H 16 1S( 0.37) H 17 1S( 0.35) H 18 1S( 0.41) H 19 1S( 0.37) H 20 1S( 0.35) NATURAL BOND ORBITAL ANALYSIS, beta spin orbitals: Occupancies Lewis Structure Low High Occ. ------------------- ----------------- occ occ Cycle Thresh. Lewis Non-Lewis CR BD 3C LP (L) (NL) Dev ============================================================================= 1(1) 0.90 30.27671 1.72329 9 20 0 3 3 0 0.03 2(2) 0.90 30.27671 1.72329 9 20 0 3 3 0 0.03 3(1) 0.80 31.26440 0.73560 9 23 0 0 0 0 0.03 ----------------------------------------------------------------------------- Structure accepted: No low occupancy Lewis orbitals -------------------------------------------------------- Core 8.99616 ( 99.957% of 9) Valence Lewis 22.26824 ( 96.818% of 23) ================== ============================ Total Lewis 31.26440 ( 97.701% of 32) ----------------------------------------------------- Valence non-Lewis 0.69360 ( 2.167% of 32) Rydberg non-Lewis 0.04200 ( 0.131% of 32) ================== ============================ Total non-Lewis 0.73560 ( 2.299% of 32) -------------------------------------------------------- (Occupancy) Bond orbital/ Coefficients/ Hybrids --------------------------------------------------------------------------------- 1. (0.98792) BD ( 1) C 1 - C 2 ( 50.07%) 0.7076* C 1 s( 27.52%)p 2.63( 72.43%)d 0.00( 0.04%) 0.0002 0.5246 -0.0094 0.0007 -0.8198 -0.0020 0.1802 -0.0050 -0.1402 0.0086 -0.0072 0.0065 -0.0016 0.0155 -0.0098 ( 49.93%) 0.7066* C 2 s( 31.31%)p 2.19( 68.66%)d 0.00( 0.03%) -0.0000 0.5595 0.0052 -0.0017 0.8001 -0.0181 -0.1732 -0.0054 0.1265 0.0037 -0.0061 0.0047 -0.0006 0.0129 -0.0099 2. (0.99068) BD ( 1) C 1 - C 13 ( 54.06%) 0.7353* C 1 s( 28.15%)p 2.55( 71.80%)d 0.00( 0.04%) 0.0001 0.5305 -0.0116 -0.0003 0.5200 0.0106 0.4125 -0.0006 -0.5266 -0.0094 0.0115 -0.0131 -0.0110 0.0015 0.0015 ( 45.94%) 0.6778* C 13 s( 34.07%)p 1.93( 65.86%)d 0.00( 0.07%) 0.0002 0.5836 -0.0095 0.0011 -0.5164 -0.0127 -0.3527 -0.0142 0.5168 0.0076 0.0149 -0.0111 -0.0175 0.0077 0.0044 3. (0.98021) BD ( 1) C 1 - H 19 ( 63.11%) 0.7944* C 1 s( 21.96%)p 3.55( 77.98%)d 0.00( 0.06%) -0.0001 0.4685 0.0107 -0.0001 0.2025 -0.0024 0.2077 -0.0160 0.8339 -0.0010 0.0031 0.0101 0.0090 -0.0015 0.0196 ( 36.89%) 0.6073* H 19 s(100.00%) 1.0000 0.0055 4. (0.97164) BD ( 1) C 1 - H 20 ( 64.04%) 0.8003* C 1 s( 22.40%)p 3.46( 77.55%)d 0.00( 0.05%) 0.0002 -0.4732 -0.0087 0.0003 -0.1254 -0.0066 0.8678 -0.0104 0.0798 -0.0118 0.0068 0.0014 -0.0045 0.0183 0.0100 ( 35.96%) 0.5997* H 20 s(100.00%) -0.9999 -0.0114 5. (0.98819) BD ( 1) C 2 - C 3 ( 50.70%) 0.7120* C 2 s( 34.62%)p 1.89( 65.34%)d 0.00( 0.04%) -0.0001 0.5884 -0.0044 0.0009 -0.5213 0.0069 -0.6034 -0.0188 -0.1311 -0.0020 0.0157 0.0040 0.0038 -0.0008 -0.0096 ( 49.30%) 0.7022* C 3 s( 35.48%)p 1.82( 64.48%)d 0.00( 0.04%) -0.0000 0.5956 -0.0048 0.0022 0.5455 0.0221 0.5727 -0.0083 0.1369 0.0036 0.0157 0.0041 0.0044 -0.0027 -0.0105 6. (0.82815) BD ( 2) C 2 - C 3 ( 49.03%) 0.7002* C 2 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) -0.0000 -0.0016 -0.0033 -0.0000 -0.1690 0.0041 -0.0690 0.0016 0.9829 -0.0066 0.0023 -0.0180 -0.0063 0.0022 -0.0062 ( 50.97%) 0.7140* C 3 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) -0.0000 -0.0012 -0.0001 0.0001 -0.1677 0.0008 -0.0741 0.0009 0.9828 -0.0076 -0.0033 0.0035 0.0184 0.0010 0.0034 7. (0.98744) BD ( 1) C 2 - C 7 ( 50.68%) 0.7119* C 2 s( 34.03%)p 1.94( 65.93%)d 0.00( 0.04%) -0.0002 0.5834 -0.0029 0.0009 -0.2421 0.0095 0.7747 0.0137 0.0136 0.0053 -0.0105 0.0004 0.0005 -0.0124 -0.0108 ( 49.32%) 0.7023* C 7 s( 35.20%)p 1.84( 64.76%)d 0.00( 0.04%) -0.0000 0.5933 -0.0040 0.0025 0.2739 0.0214 -0.7563 -0.0016 -0.0089 0.0044 -0.0090 0.0004 0.0010 -0.0138 -0.0114 8. (0.98984) BD ( 1) C 3 - C 4 ( 50.20%) 0.7085* C 3 s( 35.38%)p 1.83( 64.58%)d 0.00( 0.04%) -0.0001 0.5947 -0.0103 -0.0003 -0.7789 -0.0216 0.1526 -0.0287 -0.1207 -0.0059 -0.0085 0.0048 -0.0011 0.0137 -0.0103 ( 49.80%) 0.7057* C 4 s( 35.23%)p 1.84( 64.73%)d 0.00( 0.04%) -0.0000 0.5935 -0.0077 0.0008 0.7726 0.0090 -0.1881 -0.0350 0.1169 -0.0011 -0.0049 0.0055 -0.0005 0.0153 -0.0107 9. (0.99113) BD ( 1) C 3 - H 12 ( 61.67%) 0.7853* C 3 s( 29.10%)p 2.43( 70.84%)d 0.00( 0.05%) 0.0004 -0.5393 -0.0122 0.0016 -0.2570 0.0104 0.8012 -0.0106 0.0159 0.0010 0.0116 -0.0001 -0.0008 0.0160 0.0122 ( 38.33%) 0.6191* H 12 s(100.00%) -1.0000 -0.0019 10. (0.99033) BD ( 1) C 4 - C 5 ( 50.04%) 0.7074* C 4 s( 35.28%)p 1.83( 64.68%)d 0.00( 0.04%) -0.0000 0.5939 -0.0079 0.0006 -0.2730 -0.0355 0.7555 0.0062 0.0094 -0.0056 -0.0083 0.0003 0.0010 -0.0141 -0.0111 ( 49.96%) 0.7068* C 5 s( 35.19%)p 1.84( 64.77%)d 0.00( 0.04%) -0.0000 0.5931 -0.0079 0.0006 0.2304 -0.0248 -0.7701 -0.0260 -0.0172 -0.0061 -0.0113 0.0004 0.0004 -0.0120 -0.0112 11. (0.83525) BD ( 2) C 4 - C 5 ( 49.48%) 0.7034* C 4 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) -0.0000 0.0005 0.0000 -0.0000 -0.1668 0.0020 -0.0729 0.0010 0.9830 -0.0129 -0.0035 0.0034 0.0190 0.0008 0.0035 ( 50.52%) 0.7107* C 5 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 -0.0001 0.0000 0.0000 -0.1668 0.0023 -0.0720 0.0010 0.9831 -0.0137 0.0011 0.0143 -0.0129 -0.0034 0.0026 12. (0.99147) BD ( 1) C 4 - H 11 ( 61.82%) 0.7863* C 4 s( 29.45%)p 2.39( 70.49%)d 0.00( 0.05%) 0.0003 -0.5426 -0.0125 0.0012 0.5466 -0.0095 0.6218 -0.0115 0.1391 -0.0025 -0.0189 -0.0045 -0.0050 0.0026 0.0113 ( 38.18%) 0.6179* H 11 s(100.00%) -1.0000 -0.0014 13. (0.99033) BD ( 1) C 5 - C 6 ( 49.96%) 0.7068* C 5 s( 35.11%)p 1.85( 64.85%)d 0.00( 0.04%) -0.0000 0.5925 -0.0076 0.0007 0.5126 -0.0127 0.6060 0.0341 0.1314 0.0003 0.0159 0.0044 0.0041 0.0002 -0.0104 ( 50.04%) 0.7074* C 6 s( 35.19%)p 1.84( 64.77%)d 0.00( 0.04%) -0.0000 0.5932 -0.0077 0.0006 -0.5460 -0.0347 -0.5750 0.0096 -0.1329 -0.0052 0.0155 0.0037 0.0042 -0.0035 -0.0104 14. (0.99155) BD ( 1) C 5 - H 10 ( 61.83%) 0.7863* C 5 s( 29.67%)p 2.37( 70.28%)d 0.00( 0.05%) 0.0003 -0.5445 -0.0124 0.0011 0.8093 -0.0141 -0.1796 0.0032 0.1241 -0.0022 0.0081 -0.0058 0.0011 -0.0173 0.0114 ( 38.17%) 0.6178* H 10 s(100.00%) -1.0000 -0.0014 15. (0.98992) BD ( 1) C 6 - C 7 ( 49.84%) 0.7059* C 6 s( 35.33%)p 1.83( 64.63%)d 0.00( 0.04%) -0.0000 0.5944 -0.0080 0.0008 0.7789 0.0222 -0.1550 0.0281 0.1196 0.0059 -0.0087 0.0049 -0.0010 0.0136 -0.0108 ( 50.16%) 0.7083* C 7 s( 35.51%)p 1.82( 64.45%)d 0.00( 0.04%) -0.0001 0.5958 -0.0114 0.0000 -0.7704 -0.0086 0.1894 0.0353 -0.1174 0.0007 -0.0049 0.0053 -0.0006 0.0152 -0.0100 16. (0.83719) BD ( 2) C 6 - C 7 ( 49.57%) 0.7041* C 6 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 0.0001 0.0000 0.0001 -0.1652 0.0019 -0.0704 0.0010 0.9835 -0.0123 0.0012 0.0145 -0.0132 -0.0033 0.0026 ( 50.43%) 0.7101* C 7 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 0.0027 -0.0006 -0.0002 -0.1648 0.0022 -0.0692 0.0002 0.9837 -0.0080 0.0022 -0.0174 -0.0056 0.0025 -0.0059 17. (0.99149) BD ( 1) C 6 - H 9 ( 61.83%) 0.7863* C 6 s( 29.44%)p 2.39( 70.51%)d 0.00( 0.05%) -0.0003 0.5424 0.0126 -0.0012 -0.2566 0.0044 0.7993 -0.0146 0.0141 -0.0003 -0.0114 0.0000 0.0008 -0.0161 -0.0122 ( 38.17%) 0.6178* H 9 s(100.00%) 1.0000 0.0014 18. (0.99067) BD ( 1) C 7 - H 8 ( 61.86%) 0.7865* C 7 s( 29.25%)p 2.42( 70.70%)d 0.00( 0.05%) -0.0004 0.5407 0.0124 -0.0020 0.5501 -0.0137 0.6214 -0.0051 0.1344 -0.0023 0.0189 0.0045 0.0048 -0.0022 -0.0113 ( 38.14%) 0.6175* H 8 s(100.00%) 1.0000 0.0014 19. (0.99585) BD ( 1) C 13 - C 14 ( 46.79%) 0.6840* C 13 s( 34.44%)p 1.90( 65.49%)d 0.00( 0.07%) -0.0000 0.5865 -0.0185 0.0007 0.7856 0.0265 0.0775 0.0095 0.1758 -0.0110 0.0016 0.0087 -0.0057 0.0232 -0.0057 ( 53.21%) 0.7295* C 14 s( 29.44%)p 2.40( 70.51%)d 0.00( 0.05%) 0.0002 0.5424 -0.0130 -0.0001 -0.8213 -0.0108 -0.0483 0.0055 -0.1675 -0.0083 0.0023 0.0065 0.0004 0.0178 -0.0097 20. (0.99307) BD ( 1) C 13 - H 18 ( 58.86%) 0.7672* C 13 s( 31.07%)p 2.22( 68.84%)d 0.00( 0.09%) 0.0002 -0.5573 -0.0081 0.0022 0.2650 -0.0039 -0.1939 -0.0035 0.7619 0.0058 -0.0013 -0.0133 0.0088 -0.0071 -0.0246 ( 41.14%) 0.6414* H 18 s(100.00%) -1.0000 0.0016 21. (0.99196) BD ( 1) C 14 - H 15 ( 62.36%) 0.7897* C 14 s( 23.81%)p 3.20( 76.13%)d 0.00( 0.06%) 0.0000 0.4880 0.0024 -0.0002 0.3854 0.0050 0.6118 -0.0054 -0.4881 0.0096 0.0114 -0.0112 -0.0168 -0.0061 -0.0004 ( 37.64%) 0.6135* H 15 s(100.00%) 1.0000 0.0012 22. (0.98975) BD ( 1) C 14 - H 16 ( 62.33%) 0.7895* C 14 s( 23.41%)p 3.27( 76.53%)d 0.00( 0.06%) 0.0000 0.4838 0.0054 0.0001 0.1360 0.0131 0.1996 0.0025 0.8407 -0.0068 -0.0006 0.0055 0.0082 -0.0002 0.0217 ( 37.67%) 0.6137* H 16 s(100.00%) 1.0000 0.0038 23. (0.97420) BD ( 1) C 14 - H 17 ( 63.74%) 0.7984* C 14 s( 23.35%)p 3.28( 76.60%)d 0.00( 0.05%) -0.0001 0.4832 0.0057 0.0002 0.3965 0.0081 -0.7634 0.0084 -0.1610 0.0025 -0.0135 -0.0022 0.0069 -0.0125 -0.0100 ( 36.26%) 0.6022* H 17 s(100.00%) 0.9999 0.0111 24. (0.99962) CR ( 1) C 1 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0000 0.0000 -0.0000 0.0002 0.0000 -0.0003 0.0000 0.0002 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 25. (0.99951) CR ( 1) C 2 s(100.00%) 1.0000 0.0002 -0.0000 0.0000 -0.0001 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 26. (0.99951) CR ( 1) C 3 s(100.00%)p 0.00( 0.00%) 1.0000 0.0003 0.0000 -0.0000 0.0000 -0.0000 -0.0003 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 27. (0.99955) CR ( 1) C 4 s(100.00%)p 0.00( 0.00%) 1.0000 0.0002 0.0000 -0.0000 -0.0001 0.0000 -0.0002 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 28. (0.99955) CR ( 1) C 5 s(100.00%)p 0.00( 0.00%) 1.0000 0.0002 0.0000 -0.0000 -0.0002 0.0000 0.0001 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 29. (0.99955) CR ( 1) C 6 s(100.00%)p 0.00( 0.00%) 1.0000 0.0002 0.0000 -0.0000 -0.0001 0.0000 0.0002 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 30. (0.99951) CR ( 1) C 7 s(100.00%)p 0.00( 0.00%) 1.0000 0.0002 0.0000 -0.0000 0.0001 -0.0000 0.0002 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 31. (0.99964) CR ( 1) C 13 s(100.00%)p 0.00( 0.00%) 1.0000 0.0000 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 32. (0.99971) CR ( 1) C 14 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0001 0.0000 0.0000 0.0002 0.0000 -0.0001 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 33. (0.06879) LP*( 1) C 13 s( 0.33%)p99.99( 99.56%)d 0.34( 0.11%) -0.0000 0.0568 -0.0054 0.0002 -0.2099 -0.0060 0.9079 0.0722 0.3463 0.0469 0.0158 0.0010 0.0092 0.0163 0.0226 34. (0.00227) RY*( 1) C 1 s( 0.76%)p99.99( 95.19%)d 5.36( 4.05%) -0.0000 0.0017 0.0869 0.0033 -0.0012 -0.5811 -0.0168 -0.6971 -0.0174 -0.3574 0.1244 0.0728 -0.0271 -0.0161 0.1370 35. (0.00104) RY*( 2) C 1 s( 2.21%)p37.90( 83.83%)d 6.31( 13.95%) -0.0000 0.0089 0.1436 0.0378 -0.0035 -0.5581 0.0096 0.6548 -0.0015 -0.3132 -0.2095 0.0650 -0.0694 -0.2401 0.1702 36. (0.00026) RY*( 3) C 1 s( 0.77%)p80.74( 62.22%)d48.04( 37.01%) -0.0000 -0.0008 0.0825 0.0301 -0.0076 0.5102 -0.0060 -0.0112 -0.0077 -0.6013 -0.0182 0.5756 -0.0272 -0.0703 0.1812 37. (0.00016) RY*( 4) C 1 s( 39.45%)p 0.82( 32.22%)d 0.72( 28.33%) -0.0000 -0.0017 0.6269 -0.0385 0.0065 -0.0620 0.0150 -0.0960 -0.0225 0.5553 -0.1345 0.4794 -0.0291 -0.1121 0.1481 38. (0.00009) RY*( 5) C 1 s( 36.02%)p 0.37( 13.17%)d 1.41( 50.81%) 39. (0.00001) RY*( 6) C 1 s( 6.47%)p 0.76( 4.94%)d13.69( 88.59%) 40. (0.00001) RY*( 7) C 1 s( 99.61%)p 0.00( 0.30%)d 0.00( 0.09%) 41. (0.00001) RY*( 8) C 1 s( 1.35%)p 0.34( 0.47%)d72.62( 98.18%) 42. (0.00001) RY*( 9) C 1 s( 3.85%)p 0.97( 3.73%)d23.97( 92.41%) 43. (0.00001) RY*(10) C 1 s( 9.48%)p 0.44( 4.14%)d 9.11( 86.38%) 44. (0.00264) RY*( 1) C 2 s( 2.03%)p45.31( 91.89%)d 3.00( 6.08%) -0.0000 0.0004 0.1424 -0.0001 0.0232 0.9522 -0.0043 -0.0830 0.0001 0.0690 0.1296 -0.0601 0.0363 -0.1967 0.0193 45. (0.00216) RY*( 2) C 2 s( 0.77%)p99.99( 94.80%)d 5.73( 4.43%) -0.0000 -0.0064 0.0877 -0.0003 -0.0018 -0.1081 0.0177 -0.9601 0.0050 0.1189 -0.1617 0.0227 -0.0217 -0.1309 0.0041 46. (0.00121) RY*( 3) C 2 s( 3.39%)p25.60( 86.76%)d 2.91( 9.85%) 0.0000 -0.0021 0.1841 0.0023 -0.0070 -0.0842 -0.0066 0.1447 0.0110 0.9162 0.0581 0.2836 -0.0117 -0.0542 0.1080 47. (0.00032) RY*( 4) C 2 s( 0.53%)p 0.70( 0.37%)d99.99( 99.10%) -0.0000 -0.0003 0.0725 0.0013 0.0009 -0.0185 0.0013 -0.0015 -0.0110 0.0568 0.1938 -0.2374 -0.9255 -0.0070 -0.2013 48. (0.00019) RY*( 5) C 2 s( 89.62%)p 0.05( 4.80%)d 0.06( 5.58%) -0.0000 0.0019 0.9467 -0.0004 -0.0094 -0.1170 0.0051 0.0312 -0.0001 -0.1822 0.1230 -0.0565 0.1104 0.1565 -0.0278 49. (0.00011) RY*( 6) C 2 s( 3.15%)p 1.50( 4.73%)d29.22( 92.12%) 0.0000 0.0001 0.1662 -0.0625 -0.0043 0.0076 -0.0239 0.2088 -0.0048 0.0550 -0.8228 -0.2516 -0.0609 -0.4008 -0.1284 50. (0.00006) RY*( 7) C 2 s( 2.02%)p 5.07( 10.25%)d43.39( 87.73%) 51. (0.00004) RY*( 8) C 2 s( 22.59%)p 0.17( 3.87%)d 3.26( 73.54%) 52. (0.00002) RY*( 9) C 2 s( 74.66%)p 0.02( 1.72%)d 0.32( 23.62%) 53. (0.00001) RY*(10) C 2 s( 1.28%)p 0.73( 0.93%)d76.69( 97.79%) 54. (0.00243) RY*( 1) C 3 s( 0.14%)p99.99( 92.42%)d51.75( 7.44%) -0.0000 -0.0119 0.0351 0.0083 0.0117 0.3192 -0.0269 -0.9057 0.0002 -0.0336 0.1596 0.0349 0.0046 0.2154 0.0362 55. (0.00120) RY*( 2) C 3 s( 0.02%)p99.99( 97.48%)d99.99( 2.51%) 0.0000 0.0101 0.0004 -0.0069 -0.0286 0.9169 -0.0104 0.3217 -0.0054 0.1721 -0.1127 0.0114 -0.0253 0.1064 -0.0156 56. (0.00031) RY*( 3) C 3 s( 0.05%)p99.99( 8.99%)d99.99( 90.96%) -0.0000 0.0001 0.0232 -0.0005 -0.0015 0.0449 0.0005 0.0244 0.0081 -0.2953 0.1096 -0.8264 -0.3404 0.0966 -0.2990 57. (0.00023) RY*( 4) C 3 s( 0.02%)p99.99( 82.74%)d99.99( 17.24%) -0.0000 0.0001 -0.0067 0.0127 -0.0015 -0.1385 -0.0015 -0.0779 0.0051 0.8956 0.0192 -0.3644 0.1712 0.0707 -0.0700 58. (0.00012) RY*( 5) C 3 s( 95.17%)p 0.00( 0.13%)d 0.05( 4.70%) 0.0000 0.0032 0.9664 0.1330 -0.0130 0.0252 0.0152 0.0027 -0.0010 0.0163 0.0262 -0.0233 0.0176 -0.2073 0.0497 59. (0.00005) RY*( 6) C 3 s( 2.60%)p 0.89( 2.31%)d36.52( 95.09%) 60. (0.00002) RY*( 7) C 3 s( 61.60%)p 0.00( 0.28%)d 0.62( 38.12%) 61. (0.00000) RY*( 8) C 3 s( 1.35%)p 6.06( 8.15%)d67.23( 90.50%) 62. (0.00001) RY*( 9) C 3 s( 3.14%)p 2.39( 7.49%)d28.50( 89.37%) 63. (0.00000) RY*(10) C 3 s( 35.95%)p 0.00( 0.14%)d 1.78( 63.91%) 64. (0.00242) RY*( 1) C 4 s( 0.31%)p99.99( 92.36%)d23.26( 7.32%) -0.0000 -0.0132 0.0523 0.0156 -0.0218 -0.6097 -0.0226 -0.7255 -0.0055 -0.1566 -0.2621 -0.0230 -0.0498 0.0308 0.0241 65. (0.00146) RY*( 2) C 4 s( 0.16%)p99.99( 98.36%)d 9.29( 1.48%) 0.0000 -0.0008 0.0397 0.0048 0.0297 -0.7440 -0.0268 0.6499 0.0029 -0.0773 0.0005 0.0165 -0.0075 0.1203 0.0056 66. (0.00032) RY*( 3) C 4 s( 0.00%)p 1.00( 0.04%)d99.99( 99.95%) -0.0000 -0.0000 0.0039 0.0005 0.0017 0.0056 0.0010 -0.0008 -0.0104 -0.0172 -0.0578 -0.7036 0.6750 0.1715 -0.1270 67. (0.00021) RY*( 4) C 4 s( 0.02%)p99.99( 88.88%)d99.99( 11.10%) 0.0000 0.0001 0.0121 0.0028 -0.0009 -0.1558 -0.0003 -0.0685 0.0064 0.9273 -0.0569 0.1960 0.2461 -0.0178 0.0920 68. (0.00013) RY*( 5) C 4 s( 97.60%)p 0.00( 0.21%)d 0.02( 2.19%) 0.0000 0.0024 0.9821 0.1067 0.0114 0.0390 0.0157 -0.0138 0.0031 -0.0056 0.1458 0.0054 0.0175 -0.0158 0.0084 69. (0.00005) RY*( 6) C 4 s( 0.05%)p31.16( 1.51%)d99.99( 98.44%) 70. (0.00001) RY*( 7) C 4 s( 98.07%)p 0.00( 0.21%)d 0.02( 1.72%) 71. (0.00000) RY*( 8) C 4 s( 1.88%)p 5.36( 10.08%)d46.84( 88.04%) 72. (0.00001) RY*( 9) C 4 s( 1.90%)p 4.01( 7.61%)d47.69( 90.49%) 73. (0.00001) RY*(10) C 4 s( 0.05%)p17.33( 0.86%)d99.99( 99.09%) 74. (0.00235) RY*( 1) C 5 s( 0.42%)p99.99( 91.82%)d18.38( 7.76%) -0.0000 -0.0127 0.0616 0.0162 -0.0300 -0.9252 0.0066 0.2026 -0.0046 -0.1424 0.1122 -0.0426 0.0333 -0.2474 0.0285 75. (0.00135) RY*( 2) C 5 s( 0.00%)p 1.00( 98.49%)d 0.02( 1.51%) -0.0000 0.0001 0.0016 -0.0002 -0.0081 0.1954 -0.0396 0.9665 -0.0043 0.1050 -0.1101 -0.0157 -0.0164 -0.0492 -0.0034 76. (0.00030) RY*( 3) C 5 s( 0.00%)p 1.00( 4.06%)d23.63( 95.94%) 0.0000 0.0000 0.0031 0.0000 -0.0012 0.0339 -0.0007 0.0163 0.0076 -0.1978 -0.1697 0.1142 0.9433 0.0497 0.1589 77. (0.00024) RY*( 4) C 5 s( 0.00%)p 1.00( 86.11%)d 0.16( 13.88%) -0.0000 -0.0000 0.0065 0.0019 0.0017 0.1551 0.0005 0.0681 -0.0095 -0.9123 0.0504 -0.3204 -0.1332 0.0494 -0.1158 78. (0.00011) RY*( 5) C 5 s( 96.46%)p 0.00( 0.06%)d 0.04( 3.48%) 0.0000 0.0025 0.9759 0.1100 0.0192 0.0102 -0.0046 -0.0038 0.0029 0.0080 -0.0673 0.0181 -0.0304 0.1675 0.0319 79. (0.00005) RY*( 6) C 5 s( 0.00%)p 1.00( 1.55%)d63.37( 98.44%) 80. (0.00001) RY*( 7) C 5 s( 99.70%)p 0.00( 0.04%)d 0.00( 0.27%) 81. (0.00001) RY*( 8) C 5 s( 0.20%)p 0.53( 0.11%)d99.99( 99.69%) 82. (0.00001) RY*( 9) C 5 s( 2.98%)p 2.71( 8.09%)d29.80( 88.92%) 83. (0.00000) RY*(10) C 5 s( 0.26%)p37.23( 9.80%)d99.99( 89.94%) 84. (0.00243) RY*( 1) C 6 s( 0.31%)p99.99( 92.35%)d23.41( 7.33%) 0.0000 -0.0132 0.0523 0.0151 -0.0108 -0.2711 0.0301 0.9213 0.0001 0.0175 0.1551 0.0377 0.0065 0.2155 0.0371 85. (0.00147) RY*( 2) C 6 s( 0.27%)p99.99( 98.27%)d 5.46( 1.46%) 0.0000 -0.0004 0.0515 0.0042 0.0377 -0.9333 0.0118 -0.2769 0.0069 -0.1829 -0.0912 0.0075 -0.0202 0.0761 0.0050 86. (0.00033) RY*( 3) C 6 s( 0.03%)p87.75( 3.01%)d99.99( 96.96%) -0.0000 0.0001 0.0184 -0.0022 -0.0012 0.0276 -0.0010 0.0111 0.0087 -0.1706 0.1088 -0.8938 -0.2317 0.1328 -0.2959 87. (0.00020) RY*( 4) C 6 s( 0.46%)p99.99( 85.61%)d30.21( 13.93%) -0.0000 0.0003 0.0676 0.0060 0.0019 0.1620 -0.0008 0.0623 -0.0077 -0.9088 -0.0557 0.0597 0.3583 0.0021 0.0651 88. (0.00013) RY*( 5) C 6 s( 97.00%)p 0.01( 0.69%)d 0.02( 2.30%) -0.0000 0.0025 0.9798 0.1002 0.0045 0.0383 -0.0192 -0.0040 -0.0004 0.0710 -0.0683 -0.0142 -0.0319 -0.1308 0.0068 89. (0.00005) RY*( 6) C 6 s( 0.10%)p15.78( 1.52%)d99.99( 98.39%) 90. (0.00001) RY*( 7) C 6 s( 99.86%)p 0.00( 0.02%)d 0.00( 0.12%) 91. (0.00001) RY*( 8) C 6 s( 0.07%)p 0.77( 0.05%)d99.99( 99.87%) 92. (0.00001) RY*( 9) C 6 s( 1.90%)p 4.01( 7.61%)d47.72( 90.49%) 93. (0.00000) RY*(10) C 6 s( 0.03%)p99.99( 10.99%)d99.99( 88.98%) 94. (0.00235) RY*( 1) C 7 s( 0.03%)p99.99( 92.41%)d99.99( 7.56%) -0.0000 -0.0114 0.0125 0.0047 0.0220 0.6314 0.0186 0.7027 0.0049 0.1755 -0.2665 -0.0227 -0.0518 0.0290 0.0236 95. (0.00128) RY*( 2) C 7 s( 0.26%)p99.99( 97.20%)d 9.72( 2.54%) -0.0000 -0.0109 0.0459 0.0196 0.0205 -0.7241 -0.0208 0.6658 0.0030 -0.0594 -0.0125 -0.0411 0.0245 -0.1512 0.0093 96. (0.00030) RY*( 3) C 7 s( 0.87%)p 0.15( 0.13%)d99.99( 99.00%) 0.0000 0.0004 0.0907 0.0213 -0.0000 0.0100 0.0003 -0.0185 -0.0097 0.0279 -0.0603 -0.7122 0.6530 0.1861 -0.1345 97. (0.00022) RY*( 4) C 7 s( 0.70%)p99.99( 91.35%)d11.34( 7.95%) 0.0000 -0.0001 0.0834 0.0079 -0.0022 -0.1694 -0.0009 -0.0919 0.0033 0.9361 0.0301 -0.1308 -0.2255 0.0561 -0.0865 98. (0.00014) RY*( 5) C 7 s( 96.50%)p 0.01( 0.90%)d 0.03( 2.60%) 0.0000 0.0039 0.9736 0.1309 -0.0180 0.0592 -0.0061 -0.0351 -0.0018 -0.0625 0.0424 0.0658 -0.0141 -0.1221 0.0688 99. (0.00005) RY*( 6) C 7 s( 3.31%)p 0.67( 2.23%)d28.50( 94.46%) 100. (0.00002) RY*( 7) C 7 s( 97.56%)p 0.00( 0.15%)d 0.02( 2.29%) 101. (0.00001) RY*( 8) C 7 s( 0.11%)p64.86( 7.39%)d99.99( 92.50%) 102. (0.00002) RY*( 9) C 7 s( 0.18%)p41.32( 7.33%)d99.99( 92.50%) 103. (0.00001) RY*(10) C 7 s( 0.51%)p 2.04( 1.04%)d99.99( 98.44%) 104. (0.00049) RY*( 1) H 8 s(100.00%) -0.0014 1.0000 105. (0.00044) RY*( 1) H 9 s(100.00%) -0.0014 1.0000 106. (0.00042) RY*( 1) H 10 s(100.00%) -0.0014 1.0000 107. (0.00044) RY*( 1) H 11 s(100.00%) -0.0014 1.0000 108. (0.00052) RY*( 1) H 12 s(100.00%) -0.0019 1.0000 109. (0.00119) RY*( 1) C 13 s( 8.09%)p 9.92( 80.25%)d 1.44( 11.66%) -0.0000 -0.0016 0.2840 0.0164 0.0020 0.6245 -0.0127 -0.2004 0.0052 0.6100 -0.1192 0.1275 -0.0535 -0.1307 0.2573 110. (0.00064) RY*( 2) C 13 s( 0.28%)p99.99( 90.44%)d32.86( 9.28%) 0.0000 0.0099 0.0521 -0.0037 0.0302 -0.7387 -0.0116 -0.1694 -0.0086 0.5735 -0.1223 0.2631 0.0605 0.0025 0.0703 111. (0.00016) RY*( 3) C 13 s( 16.04%)p 3.96( 63.60%)d 1.27( 20.36%) 0.0000 0.0041 0.3986 -0.0392 0.0187 -0.1203 -0.0584 0.7846 -0.0052 0.0456 0.1656 0.0291 -0.1086 -0.3372 0.2231 112. (0.00013) RY*( 4) C 13 s( 73.48%)p 0.28( 20.62%)d 0.08( 5.90%) -0.0000 0.0122 0.8546 0.0653 0.0053 -0.1376 0.0374 -0.3350 0.0205 -0.2705 -0.0289 -0.1791 0.0288 0.1368 -0.0808 113. (0.00012) RY*( 5) C 13 s( 0.15%)p51.98( 7.60%)d99.99( 92.25%) -0.0000 0.0019 0.0280 0.0260 0.0013 0.0221 0.0240 -0.2714 0.0029 -0.0365 0.7340 0.3958 -0.0648 -0.3842 -0.2745 114. (0.00005) RY*( 6) C 13 s( 1.70%)p 5.86( 9.96%)d51.97( 88.34%) 115. (0.00001) RY*( 7) C 13 s( 99.42%)p 0.00( 0.45%)d 0.00( 0.13%) 116. (0.00002) RY*( 8) C 13 s( 0.21%)p40.51( 8.41%)d99.99( 91.38%) 117. (0.00000) RY*( 9) C 13 s( 0.03%)p50.61( 1.54%)d99.99( 98.43%) 118. (0.00001) RY*(10) C 13 s( 0.69%)p25.02( 17.38%)d99.99( 81.92%) 119. (0.00120) RY*( 1) C 14 s( 0.43%)p99.99( 89.46%)d23.43( 10.11%) 0.0000 -0.0054 0.0648 0.0093 0.0052 0.2694 0.0088 0.3911 -0.0175 -0.8177 -0.1408 0.2522 0.0341 -0.0329 0.1241 120. (0.00024) RY*( 2) C 14 s( 16.49%)p 5.03( 82.93%)d 0.03( 0.58%) -0.0000 -0.0045 0.4012 -0.0630 -0.0209 0.8625 -0.0015 -0.1313 -0.0074 0.2602 -0.0141 0.0267 0.0054 0.0694 -0.0025 121. (0.00005) RY*( 3) C 14 s( 11.67%)p 6.68( 77.92%)d 0.89( 10.41%) 122. (0.00000) RY*( 4) C 14 s( 94.07%)p 0.06( 5.39%)d 0.01( 0.54%) 123. (0.00000) RY*( 5) C 14 s( 76.85%)p 0.29( 22.67%)d 0.01( 0.48%) 124. (0.00001) RY*( 6) C 14 s( 0.32%)p10.61( 3.36%)d99.99( 96.32%) 125. (0.00001) RY*( 7) C 14 s( 0.03%)p99.99( 11.97%)d99.99( 88.00%) 126. (0.00000) RY*( 8) C 14 s( 0.06%)p 7.30( 0.44%)d99.99( 99.50%) 127. (0.00001) RY*( 9) C 14 s( 0.06%)p29.18( 1.76%)d99.99( 98.18%) 128. (0.00000) RY*(10) C 14 s( 0.00%)p 1.00( 4.32%)d22.13( 95.67%) 129. (0.00037) RY*( 1) H 15 s(100.00%) -0.0012 1.0000 130. (0.00044) RY*( 1) H 16 s(100.00%) -0.0038 1.0000 131. (0.00022) RY*( 1) H 17 s(100.00%) -0.0111 0.9999 132. (0.00055) RY*( 1) H 18 s(100.00%) 0.0016 1.0000 133. (0.00071) RY*( 1) H 19 s(100.00%) -0.0055 1.0000 134. (0.00045) RY*( 1) H 20 s(100.00%) -0.0114 0.9999 135. (0.00995) BD*( 1) C 1 - C 2 ( 49.93%) 0.7066* C 1 s( 27.52%)p 2.63( 72.43%)d 0.00( 0.04%) -0.0002 -0.5246 0.0094 -0.0007 0.8198 0.0020 -0.1802 0.0050 0.1402 -0.0086 0.0072 -0.0065 0.0016 -0.0155 0.0098 ( 50.07%) -0.7076* C 2 s( 31.31%)p 2.19( 68.66%)d 0.00( 0.03%) 0.0000 -0.5595 -0.0052 0.0017 -0.8001 0.0181 0.1732 0.0054 -0.1265 -0.0037 0.0061 -0.0047 0.0006 -0.0129 0.0099 136. (0.00687) BD*( 1) C 1 - C 13 ( 45.94%) 0.6778* C 1 s( 28.15%)p 2.55( 71.80%)d 0.00( 0.04%) -0.0001 -0.5305 0.0116 0.0003 -0.5200 -0.0106 -0.4125 0.0006 0.5266 0.0094 -0.0115 0.0131 0.0110 -0.0015 -0.0015 ( 54.06%) -0.7353* C 13 s( 34.07%)p 1.93( 65.86%)d 0.00( 0.07%) -0.0002 -0.5836 0.0095 -0.0011 0.5164 0.0127 0.3527 0.0142 -0.5168 -0.0076 -0.0149 0.0111 0.0175 -0.0077 -0.0044 137. (0.00668) BD*( 1) C 1 - H 19 ( 36.89%) 0.6073* C 1 s( 21.96%)p 3.55( 77.98%)d 0.00( 0.06%) 0.0001 -0.4685 -0.0107 0.0001 -0.2025 0.0024 -0.2077 0.0160 -0.8339 0.0010 -0.0031 -0.0101 -0.0090 0.0015 -0.0196 ( 63.11%) -0.7944* H 19 s(100.00%) -1.0000 -0.0055 138. (0.00296) BD*( 1) C 1 - H 20 ( 35.96%) 0.5997* C 1 s( 22.40%)p 3.46( 77.55%)d 0.00( 0.05%) -0.0002 0.4732 0.0087 -0.0003 0.1254 0.0066 -0.8678 0.0104 -0.0798 0.0118 -0.0068 -0.0014 0.0045 -0.0183 -0.0100 ( 64.04%) -0.8003* H 20 s(100.00%) 0.9999 0.0114 139. (0.01088) BD*( 1) C 2 - C 3 ( 49.30%) 0.7022* C 2 s( 34.62%)p 1.89( 65.34%)d 0.00( 0.04%) 0.0001 -0.5884 0.0044 -0.0009 0.5213 -0.0069 0.6034 0.0188 0.1311 0.0020 -0.0157 -0.0040 -0.0038 0.0008 0.0096 ( 50.70%) -0.7120* C 3 s( 35.48%)p 1.82( 64.48%)d 0.00( 0.04%) 0.0000 -0.5956 0.0048 -0.0022 -0.5455 -0.0221 -0.5727 0.0083 -0.1369 -0.0036 -0.0157 -0.0041 -0.0044 0.0027 0.0105 140. (0.16976) BD*( 2) C 2 - C 3 ( 50.97%) 0.7140* C 2 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) -0.0000 -0.0016 -0.0033 -0.0000 -0.1690 0.0041 -0.0690 0.0016 0.9829 -0.0066 0.0023 -0.0180 -0.0063 0.0022 -0.0062 ( 49.03%) -0.7002* C 3 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) -0.0000 -0.0012 -0.0001 0.0001 -0.1677 0.0008 -0.0741 0.0009 0.9828 -0.0076 -0.0033 0.0035 0.0184 0.0010 0.0034 141. (0.01154) BD*( 1) C 2 - C 7 ( 49.32%) 0.7023* C 2 s( 34.03%)p 1.94( 65.93%)d 0.00( 0.04%) 0.0002 -0.5834 0.0029 -0.0009 0.2421 -0.0095 -0.7747 -0.0137 -0.0136 -0.0053 0.0105 -0.0004 -0.0005 0.0124 0.0108 ( 50.68%) -0.7119* C 7 s( 35.20%)p 1.84( 64.76%)d 0.00( 0.04%) 0.0000 -0.5933 0.0040 -0.0025 -0.2739 -0.0214 0.7563 0.0016 0.0089 -0.0044 0.0090 -0.0004 -0.0010 0.0138 0.0114 142. (0.00742) BD*( 1) C 3 - C 4 ( 49.80%) 0.7057* C 3 s( 35.38%)p 1.83( 64.58%)d 0.00( 0.04%) 0.0001 -0.5947 0.0103 0.0003 0.7789 0.0216 -0.1526 0.0287 0.1207 0.0059 0.0085 -0.0048 0.0011 -0.0137 0.0103 ( 50.20%) -0.7085* C 4 s( 35.23%)p 1.84( 64.73%)d 0.00( 0.04%) 0.0000 -0.5935 0.0077 -0.0008 -0.7726 -0.0090 0.1881 0.0350 -0.1169 0.0011 0.0049 -0.0055 0.0005 -0.0153 0.0107 143. (0.00660) BD*( 1) C 3 - H 12 ( 38.33%) 0.6191* C 3 s( 29.10%)p 2.43( 70.84%)d 0.00( 0.05%) -0.0004 0.5393 0.0122 -0.0016 0.2570 -0.0104 -0.8012 0.0106 -0.0159 -0.0010 -0.0116 0.0001 0.0008 -0.0160 -0.0122 ( 61.67%) -0.7853* H 12 s(100.00%) 1.0000 0.0019 144. (0.00782) BD*( 1) C 4 - C 5 ( 49.96%) 0.7068* C 4 s( 35.28%)p 1.83( 64.68%)d 0.00( 0.04%) 0.0000 -0.5939 0.0079 -0.0006 0.2730 0.0355 -0.7555 -0.0062 -0.0094 0.0056 0.0083 -0.0003 -0.0010 0.0141 0.0111 ( 50.04%) -0.7074* C 5 s( 35.19%)p 1.84( 64.77%)d 0.00( 0.04%) 0.0000 -0.5931 0.0079 -0.0006 -0.2304 0.0248 0.7701 0.0260 0.0172 0.0061 0.0113 -0.0004 -0.0004 0.0120 0.0112 145. (0.16669) BD*( 2) C 4 - C 5 ( 50.52%) 0.7107* C 4 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) -0.0000 0.0005 0.0000 -0.0000 -0.1668 0.0020 -0.0729 0.0010 0.9830 -0.0129 -0.0035 0.0034 0.0190 0.0008 0.0035 ( 49.48%) -0.7034* C 5 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 -0.0001 0.0000 0.0000 -0.1668 0.0023 -0.0720 0.0010 0.9831 -0.0137 0.0011 0.0143 -0.0129 -0.0034 0.0026 146. (0.00605) BD*( 1) C 4 - H 11 ( 38.18%) 0.6179* C 4 s( 29.45%)p 2.39( 70.49%)d 0.00( 0.05%) -0.0003 0.5426 0.0125 -0.0012 -0.5466 0.0095 -0.6218 0.0115 -0.1391 0.0025 0.0189 0.0045 0.0050 -0.0026 -0.0113 ( 61.82%) -0.7863* H 11 s(100.00%) 1.0000 0.0014 147. (0.00788) BD*( 1) C 5 - C 6 ( 50.04%) 0.7074* C 5 s( 35.11%)p 1.85( 64.85%)d 0.00( 0.04%) -0.0000 0.5925 -0.0076 0.0007 0.5126 -0.0127 0.6060 0.0341 0.1314 0.0003 0.0159 0.0044 0.0041 0.0002 -0.0104 ( 49.96%) -0.7068* C 6 s( 35.19%)p 1.84( 64.77%)d 0.00( 0.04%) -0.0000 0.5932 -0.0077 0.0006 -0.5460 -0.0347 -0.5750 0.0096 -0.1329 -0.0052 0.0155 0.0037 0.0042 -0.0035 -0.0104 148. (0.00613) BD*( 1) C 5 - H 10 ( 38.17%) 0.6178* C 5 s( 29.67%)p 2.37( 70.28%)d 0.00( 0.05%) -0.0003 0.5445 0.0124 -0.0011 -0.8093 0.0141 0.1796 -0.0032 -0.1241 0.0022 -0.0081 0.0058 -0.0011 0.0173 -0.0114 ( 61.83%) -0.7863* H 10 s(100.00%) 1.0000 0.0014 149. (0.00735) BD*( 1) C 6 - C 7 ( 50.16%) 0.7083* C 6 s( 35.33%)p 1.83( 64.63%)d 0.00( 0.04%) -0.0000 0.5944 -0.0080 0.0008 0.7789 0.0222 -0.1550 0.0281 0.1196 0.0059 -0.0087 0.0049 -0.0010 0.0136 -0.0108 ( 49.84%) -0.7059* C 7 s( 35.51%)p 1.82( 64.45%)d 0.00( 0.04%) -0.0001 0.5958 -0.0114 0.0000 -0.7704 -0.0086 0.1894 0.0353 -0.1174 0.0007 -0.0049 0.0053 -0.0006 0.0152 -0.0100 150. (0.16302) BD*( 2) C 6 - C 7 ( 50.43%) 0.7101* C 6 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 0.0001 0.0000 0.0001 -0.1652 0.0019 -0.0704 0.0010 0.9835 -0.0123 0.0012 0.0145 -0.0132 -0.0033 0.0026 ( 49.57%) -0.7041* C 7 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 0.0027 -0.0006 -0.0002 -0.1648 0.0022 -0.0692 0.0002 0.9837 -0.0080 0.0022 -0.0174 -0.0056 0.0025 -0.0059 151. (0.00607) BD*( 1) C 6 - H 9 ( 38.17%) 0.6178* C 6 s( 29.44%)p 2.39( 70.51%)d 0.00( 0.05%) 0.0003 -0.5424 -0.0126 0.0012 0.2566 -0.0044 -0.7993 0.0146 -0.0141 0.0003 0.0114 -0.0000 -0.0008 0.0161 0.0122 ( 61.83%) -0.7863* H 9 s(100.00%) -1.0000 -0.0014 152. (0.00629) BD*( 1) C 7 - H 8 ( 38.14%) 0.6175* C 7 s( 29.25%)p 2.42( 70.70%)d 0.00( 0.05%) 0.0004 -0.5407 -0.0124 0.0020 -0.5501 0.0137 -0.6214 0.0051 -0.1344 0.0023 -0.0189 -0.0045 -0.0048 0.0022 0.0113 ( 61.86%) -0.7865* H 8 s(100.00%) -1.0000 -0.0014 153. (0.00299) BD*( 1) C 13 - C 14 ( 53.21%) 0.7295* C 13 s( 34.44%)p 1.90( 65.49%)d 0.00( 0.07%) -0.0000 0.5865 -0.0185 0.0007 0.7856 0.0265 0.0775 0.0095 0.1758 -0.0110 0.0016 0.0087 -0.0057 0.0232 -0.0057 ( 46.79%) -0.6840* C 14 s( 29.44%)p 2.40( 70.51%)d 0.00( 0.05%) 0.0002 0.5424 -0.0130 -0.0001 -0.8213 -0.0108 -0.0483 0.0055 -0.1675 -0.0083 0.0023 0.0065 0.0004 0.0178 -0.0097 154. (0.00580) BD*( 1) C 13 - H 18 ( 41.14%) 0.6414* C 13 s( 31.07%)p 2.22( 68.84%)d 0.00( 0.09%) -0.0002 0.5573 0.0081 -0.0022 -0.2650 0.0039 0.1939 0.0035 -0.7619 -0.0058 0.0013 0.0133 -0.0088 0.0071 0.0246 ( 58.86%) -0.7672* H 18 s(100.00%) 1.0000 -0.0016 155. (0.00216) BD*( 1) C 14 - H 15 ( 37.64%) 0.6135* C 14 s( 23.81%)p 3.20( 76.13%)d 0.00( 0.06%) -0.0000 -0.4880 -0.0024 0.0002 -0.3854 -0.0050 -0.6118 0.0054 0.4881 -0.0096 -0.0114 0.0112 0.0168 0.0061 0.0004 ( 62.36%) -0.7897* H 15 s(100.00%) -1.0000 -0.0012 156. (0.00291) BD*( 1) C 14 - H 16 ( 37.67%) 0.6137* C 14 s( 23.41%)p 3.27( 76.53%)d 0.00( 0.06%) -0.0000 -0.4838 -0.0054 -0.0001 -0.1360 -0.0131 -0.1996 -0.0025 -0.8407 0.0068 0.0006 -0.0055 -0.0082 0.0002 -0.0217 ( 62.33%) -0.7895* H 16 s(100.00%) -1.0000 -0.0038 157. (0.00097) BD*( 1) C 14 - H 17 ( 36.26%) 0.6022* C 14 s( 23.35%)p 3.28( 76.60%)d 0.00( 0.05%) 0.0001 -0.4832 -0.0057 -0.0002 -0.3965 -0.0081 0.7634 -0.0084 0.1610 -0.0025 0.0135 0.0022 -0.0069 0.0125 0.0100 ( 63.74%) -0.7984* H 17 s(100.00%) -0.9999 -0.0111 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 - C 13 128.1 37.1 -- -- -- 50.8 214.7 2.1 4. BD ( 1) C 1 - H 20 93.8 277.4 94.5 278.8 1.5 -- -- -- 5. BD ( 1) C 2 - C 3 99.6 227.5 99.4 230.4 2.9 80.0 44.8 2.6 6. BD ( 2) C 2 - C 3 99.6 227.5 169.7 22.2 89.8 169.4 23.7 89.9 7. BD ( 1) C 2 - C 7 89.3 108.8 88.7 106.4 2.5 90.3 291.3 2.5 8. BD ( 1) C 3 - C 4 98.5 167.7 98.9 171.2 3.5 81.9 344.1 3.6 10. BD ( 1) C 4 - C 5 89.1 108.3 89.7 112.0 3.8 91.6 284.5 3.9 11. BD ( 2) C 4 - C 5 89.1 108.3 10.5 203.6 90.0 169.5 23.3 90.0 13. BD ( 1) C 5 - C 6 80.5 48.1 80.8 52.0 3.9 99.7 224.2 3.8 15. BD ( 1) C 6 - C 7 81.5 347.4 81.2 351.0 3.5 98.2 163.9 3.5 16. BD ( 2) C 6 - C 7 81.5 347.4 10.4 203.0 90.0 10.3 203.0 90.1 19. BD ( 1) C 13 - C 14 78.4 3.6 78.6 6.1 2.4 -- -- -- 20. BD ( 1) C 13 - H 18 158.4 148.8 156.9 142.9 2.7 -- -- -- 140. BD*( 2) C 2 - C 3 99.6 227.5 169.7 22.2 89.8 169.4 23.7 89.9 145. BD*( 2) C 4 - C 5 89.1 108.3 10.5 203.6 90.0 169.5 23.3 90.0 150. BD*( 2) C 6 - C 7 81.5 347.4 10.4 203.0 90.0 10.3 203.0 90.1 Second Order Perturbation Theory Analysis of Fock Matrix in NBO Basis Threshold for printing: 0.25 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 / 54. RY*( 1) C 3 0.67 1.89 0.045 1. BD ( 1) C 1 - C 2 / 94. RY*( 1) C 7 0.57 1.90 0.042 1. BD ( 1) C 1 - C 2 /109. RY*( 1) C 13 0.53 1.74 0.038 1. BD ( 1) C 1 - C 2 /136. BD*( 1) C 1 - C 13 0.48 1.06 0.029 1. BD ( 1) C 1 - C 2 /137. BD*( 1) C 1 - H 19 0.35 1.04 0.024 1. BD ( 1) C 1 - C 2 /138. BD*( 1) C 1 - H 20 0.36 1.04 0.024 1. BD ( 1) C 1 - C 2 /139. BD*( 1) C 2 - C 3 0.96 1.20 0.043 1. BD ( 1) C 1 - C 2 /141. BD*( 1) C 2 - C 7 0.96 1.19 0.043 1. BD ( 1) C 1 - C 2 /142. BD*( 1) C 3 - C 4 1.11 1.20 0.046 1. BD ( 1) C 1 - C 2 /149. BD*( 1) C 6 - C 7 1.12 1.20 0.046 1. BD ( 1) C 1 - C 2 /153. BD*( 1) C 13 - C 14 0.96 1.07 0.041 2. BD ( 1) C 1 - C 13 / 45. RY*( 2) C 2 0.41 1.67 0.033 2. BD ( 1) C 1 - C 13 / 46. RY*( 3) C 2 0.35 1.46 0.028 2. BD ( 1) C 1 - C 13 /119. RY*( 1) C 14 0.48 1.44 0.033 2. BD ( 1) C 1 - C 13 /135. BD*( 1) C 1 - C 2 0.63 1.03 0.032 2. BD ( 1) C 1 - C 13 /137. BD*( 1) C 1 - H 19 0.36 1.04 0.024 2. BD ( 1) C 1 - C 13 /138. BD*( 1) C 1 - H 20 0.38 1.04 0.025 2. BD ( 1) C 1 - C 13 /139. BD*( 1) C 2 - C 3 0.81 1.20 0.039 2. BD ( 1) C 1 - C 13 /140. BD*( 2) C 2 - C 3 0.73 0.65 0.030 2. BD ( 1) C 1 - C 13 /155. BD*( 1) C 14 - H 15 0.54 1.06 0.030 3. BD ( 1) C 1 - H 19 / 33. LP*( 1) C 13 1.34 0.50 0.033 3. BD ( 1) C 1 - H 19 / 46. RY*( 3) C 2 0.44 1.34 0.031 3. BD ( 1) C 1 - H 19 /135. BD*( 1) C 1 - C 2 0.28 0.91 0.020 3. BD ( 1) C 1 - H 19 /139. BD*( 1) C 2 - C 3 0.69 1.08 0.034 3. BD ( 1) C 1 - H 19 /140. BD*( 2) C 2 - C 3 1.80 0.53 0.042 3. BD ( 1) C 1 - H 19 /154. BD*( 1) C 13 - H 18 1.32 0.98 0.046 4. BD ( 1) C 1 - H 20 / 33. LP*( 1) C 13 5.73 0.49 0.069 4. BD ( 1) C 1 - H 20 / 45. RY*( 2) C 2 0.28 1.54 0.027 4. BD ( 1) C 1 - H 20 /136. BD*( 1) C 1 - C 13 0.28 0.93 0.021 4. BD ( 1) C 1 - H 20 /141. BD*( 1) C 2 - C 7 2.07 1.07 0.060 5. BD ( 1) C 2 - C 3 / 34. RY*( 1) C 1 0.32 1.62 0.029 5. BD ( 1) C 2 - C 3 / 64. RY*( 1) C 4 0.40 1.96 0.036 5. BD ( 1) C 2 - C 3 / 65. RY*( 2) C 4 0.74 1.40 0.041 5. BD ( 1) C 2 - C 3 / 95. RY*( 2) C 7 0.31 1.47 0.027 5. BD ( 1) C 2 - C 3 /135. BD*( 1) C 1 - C 2 0.90 1.11 0.040 5. BD ( 1) C 2 - C 3 /136. BD*( 1) C 1 - C 13 0.29 1.13 0.023 5. BD ( 1) C 2 - C 3 /141. BD*( 1) C 2 - C 7 1.67 1.26 0.058 5. BD ( 1) C 2 - C 3 /142. BD*( 1) C 3 - C 4 1.37 1.27 0.053 5. BD ( 1) C 2 - C 3 /143. BD*( 1) C 3 - H 12 0.58 1.15 0.033 5. BD ( 1) C 2 - C 3 /146. BD*( 1) C 4 - H 11 1.05 1.16 0.044 5. BD ( 1) C 2 - C 3 /152. BD*( 1) C 7 - H 8 1.12 1.16 0.046 6. BD ( 2) C 2 - C 3 / 67. RY*( 4) C 4 0.65 0.96 0.035 6. BD ( 2) C 2 - C 3 / 97. RY*( 4) C 7 0.64 0.95 0.034 6. BD ( 2) C 2 - C 3 /136. BD*( 1) C 1 - C 13 1.09 0.69 0.038 6. BD ( 2) C 2 - C 3 /137. BD*( 1) C 1 - H 19 1.29 0.67 0.041 6. BD ( 2) C 2 - C 3 /145. BD*( 2) C 4 - C 5 10.74 0.28 0.069 6. BD ( 2) C 2 - C 3 /150. BD*( 2) C 6 - C 7 9.67 0.28 0.066 7. BD ( 1) C 2 - C 7 / 34. RY*( 1) C 1 0.55 1.62 0.038 7. BD ( 1) C 2 - C 7 / 55. RY*( 2) C 3 0.34 1.45 0.028 7. BD ( 1) C 2 - C 7 / 84. RY*( 1) C 6 0.40 1.95 0.035 7. BD ( 1) C 2 - C 7 / 85. RY*( 2) C 6 0.75 1.39 0.041 7. BD ( 1) C 2 - C 7 /135. BD*( 1) C 1 - C 2 0.89 1.10 0.040 7. BD ( 1) C 2 - C 7 /138. BD*( 1) C 1 - H 20 0.34 1.11 0.025 7. BD ( 1) C 2 - C 7 /139. BD*( 1) C 2 - C 3 1.64 1.27 0.058 7. BD ( 1) C 2 - C 7 /143. BD*( 1) C 3 - H 12 1.14 1.15 0.046 7. BD ( 1) C 2 - C 7 /149. BD*( 1) C 6 - C 7 1.37 1.27 0.053 7. BD ( 1) C 2 - C 7 /151. BD*( 1) C 6 - H 9 1.07 1.16 0.045 7. BD ( 1) C 2 - C 7 /152. BD*( 1) C 7 - H 8 0.56 1.15 0.032 8. BD ( 1) C 3 - C 4 / 44. RY*( 1) C 2 0.38 1.99 0.035 8. BD ( 1) C 3 - C 4 / 45. RY*( 2) C 2 0.97 1.74 0.052 8. BD ( 1) C 3 - C 4 / 74. RY*( 1) C 5 0.33 1.96 0.032 8. BD ( 1) C 3 - C 4 / 75. RY*( 2) C 5 0.69 1.39 0.039 8. BD ( 1) C 3 - C 4 /135. BD*( 1) C 1 - C 2 1.74 1.11 0.055 8. BD ( 1) C 3 - C 4 /139. BD*( 1) C 2 - C 3 1.52 1.27 0.056 8. BD ( 1) C 3 - C 4 /143. BD*( 1) C 3 - H 12 0.58 1.15 0.033 8. BD ( 1) C 3 - C 4 /144. BD*( 1) C 4 - C 5 1.28 1.27 0.051 8. BD ( 1) C 3 - C 4 /146. BD*( 1) C 4 - H 11 0.55 1.16 0.032 8. BD ( 1) C 3 - C 4 /148. BD*( 1) C 5 - H 10 1.17 1.16 0.047 9. BD ( 1) C 3 - H 12 / 44. RY*( 1) C 2 0.78 1.82 0.048 9. BD ( 1) C 3 - H 12 / 64. RY*( 1) C 4 0.55 1.79 0.040 9. BD ( 1) C 3 - H 12 /139. BD*( 1) C 2 - C 3 0.50 1.10 0.030 9. BD ( 1) C 3 - H 12 /141. BD*( 1) C 2 - C 7 2.00 1.10 0.059 9. BD ( 1) C 3 - H 12 /142. BD*( 1) C 3 - C 4 0.39 1.10 0.026 9. BD ( 1) C 3 - H 12 /144. BD*( 1) C 4 - C 5 1.75 1.10 0.055 10. BD ( 1) C 4 - C 5 / 54. RY*( 1) C 3 0.36 1.97 0.034 10. BD ( 1) C 4 - C 5 / 55. RY*( 2) C 3 0.71 1.45 0.041 10. BD ( 1) C 4 - C 5 / 84. RY*( 1) C 6 0.34 1.96 0.033 10. BD ( 1) C 4 - C 5 / 85. RY*( 2) C 6 0.72 1.40 0.040 10. BD ( 1) C 4 - C 5 /142. BD*( 1) C 3 - C 4 1.29 1.27 0.051 10. BD ( 1) C 4 - C 5 /143. BD*( 1) C 3 - H 12 1.17 1.16 0.047 10. BD ( 1) C 4 - C 5 /146. BD*( 1) C 4 - H 11 0.57 1.16 0.033 10. BD ( 1) C 4 - C 5 /147. BD*( 1) C 5 - C 6 1.24 1.27 0.050 10. BD ( 1) C 4 - C 5 /148. BD*( 1) C 5 - H 10 0.57 1.16 0.033 10. BD ( 1) C 4 - C 5 /151. BD*( 1) C 6 - H 9 1.18 1.16 0.047 11. BD ( 2) C 4 - C 5 / 57. RY*( 4) C 3 0.82 1.07 0.041 11. BD ( 2) C 4 - C 5 / 87. RY*( 4) C 6 0.78 1.01 0.039 11. BD ( 2) C 4 - C 5 /140. BD*( 2) C 2 - C 3 9.59 0.29 0.066 11. BD ( 2) C 4 - C 5 /150. BD*( 2) C 6 - C 7 10.32 0.28 0.068 12. BD ( 1) C 4 - H 11 / 54. RY*( 1) C 3 0.53 1.80 0.039 12. BD ( 1) C 4 - H 11 / 74. RY*( 1) C 5 0.55 1.79 0.040 12. BD ( 1) C 4 - H 11 /139. BD*( 1) C 2 - C 3 1.87 1.10 0.057 12. BD ( 1) C 4 - H 11 /142. BD*( 1) C 3 - C 4 0.39 1.10 0.026 12. BD ( 1) C 4 - H 11 /144. BD*( 1) C 4 - C 5 0.39 1.10 0.026 12. BD ( 1) C 4 - H 11 /147. BD*( 1) C 5 - C 6 1.75 1.10 0.055 13. BD ( 1) C 5 - C 6 / 64. RY*( 1) C 4 0.34 1.96 0.033 13. BD ( 1) C 5 - C 6 / 65. RY*( 2) C 4 0.73 1.40 0.040 13. BD ( 1) C 5 - C 6 / 94. RY*( 1) C 7 0.37 1.97 0.034 13. BD ( 1) C 5 - C 6 / 95. RY*( 2) C 7 0.68 1.47 0.040 13. BD ( 1) C 5 - C 6 /144. BD*( 1) C 4 - C 5 1.25 1.27 0.050 13. BD ( 1) C 5 - C 6 /146. BD*( 1) C 4 - H 11 1.19 1.16 0.047 13. BD ( 1) C 5 - C 6 /148. BD*( 1) C 5 - H 10 0.56 1.16 0.032 13. BD ( 1) C 5 - C 6 /149. BD*( 1) C 6 - C 7 1.30 1.27 0.051 13. BD ( 1) C 5 - C 6 /151. BD*( 1) C 6 - H 9 0.56 1.16 0.032 13. BD ( 1) C 5 - C 6 /152. BD*( 1) C 7 - H 8 1.17 1.16 0.047 14. BD ( 1) C 5 - H 10 / 64. RY*( 1) C 4 0.56 1.79 0.040 14. BD ( 1) C 5 - H 10 / 84. RY*( 1) C 6 0.56 1.79 0.040 14. BD ( 1) C 5 - H 10 /142. BD*( 1) C 3 - C 4 1.76 1.10 0.056 14. BD ( 1) C 5 - H 10 /144. BD*( 1) C 4 - C 5 0.40 1.10 0.027 14. BD ( 1) C 5 - H 10 /147. BD*( 1) C 5 - C 6 0.39 1.10 0.026 14. BD ( 1) C 5 - H 10 /149. BD*( 1) C 6 - C 7 1.75 1.11 0.056 15. BD ( 1) C 6 - C 7 / 44. RY*( 1) C 2 0.64 1.99 0.045 15. BD ( 1) C 6 - C 7 / 45. RY*( 2) C 2 0.66 1.74 0.043 15. BD ( 1) C 6 - C 7 / 74. RY*( 1) C 5 0.33 1.96 0.032 15. BD ( 1) C 6 - C 7 / 75. RY*( 2) C 5 0.69 1.39 0.039 15. BD ( 1) C 6 - C 7 /135. BD*( 1) C 1 - C 2 1.64 1.11 0.054 15. BD ( 1) C 6 - C 7 /141. BD*( 1) C 2 - C 7 1.52 1.27 0.055 15. BD ( 1) C 6 - C 7 /147. BD*( 1) C 5 - C 6 1.28 1.27 0.051 15. BD ( 1) C 6 - C 7 /148. BD*( 1) C 5 - H 10 1.16 1.16 0.046 15. BD ( 1) C 6 - C 7 /151. BD*( 1) C 6 - H 9 0.56 1.16 0.032 15. BD ( 1) C 6 - C 7 /152. BD*( 1) C 7 - H 8 0.61 1.16 0.034 16. BD ( 2) C 6 - C 7 / 77. RY*( 4) C 5 0.79 1.01 0.039 16. BD ( 2) C 6 - C 7 /140. BD*( 2) C 2 - C 3 10.42 0.29 0.069 16. BD ( 2) C 6 - C 7 /145. BD*( 2) C 4 - C 5 9.81 0.28 0.066 17. BD ( 1) C 6 - H 9 / 74. RY*( 1) C 5 0.55 1.79 0.040 17. BD ( 1) C 6 - H 9 / 94. RY*( 1) C 7 0.53 1.80 0.039 17. BD ( 1) C 6 - H 9 /141. BD*( 1) C 2 - C 7 1.88 1.10 0.057 17. BD ( 1) C 6 - H 9 /144. BD*( 1) C 4 - C 5 1.74 1.10 0.055 17. BD ( 1) C 6 - H 9 /147. BD*( 1) C 5 - C 6 0.37 1.10 0.026 17. BD ( 1) C 6 - H 9 /149. BD*( 1) C 6 - C 7 0.41 1.11 0.027 18. BD ( 1) C 7 - H 8 / 44. RY*( 1) C 2 0.72 1.81 0.046 18. BD ( 1) C 7 - H 8 / 84. RY*( 1) C 6 0.56 1.79 0.040 18. BD ( 1) C 7 - H 8 /139. BD*( 1) C 2 - C 3 1.99 1.10 0.059 18. BD ( 1) C 7 - H 8 /141. BD*( 1) C 2 - C 7 0.48 1.09 0.029 18. BD ( 1) C 7 - H 8 /147. BD*( 1) C 5 - C 6 1.77 1.10 0.056 18. BD ( 1) C 7 - H 8 /149. BD*( 1) C 6 - C 7 0.41 1.10 0.027 19. BD ( 1) C 13 - C 14 / 35. RY*( 2) C 1 0.40 1.50 0.031 19. BD ( 1) C 13 - C 14 /135. BD*( 1) C 1 - C 2 0.80 1.04 0.037 19. BD ( 1) C 13 - C 14 /155. BD*( 1) C 14 - H 15 0.35 1.07 0.024 19. BD ( 1) C 13 - C 14 /156. BD*( 1) C 14 - H 16 0.34 1.06 0.024 19. BD ( 1) C 13 - C 14 /157. BD*( 1) C 14 - H 17 0.34 1.05 0.024 20. BD ( 1) C 13 - H 18 / 34. RY*( 1) C 1 0.55 1.44 0.036 20. BD ( 1) C 13 - H 18 /119. RY*( 1) C 14 0.31 1.34 0.026 20. BD ( 1) C 13 - H 18 /137. BD*( 1) C 1 - H 19 0.84 0.94 0.035 20. BD ( 1) C 13 - H 18 /156. BD*( 1) C 14 - H 16 0.89 0.95 0.037 21. BD ( 1) C 14 - H 15 / 33. LP*( 1) C 13 0.55 0.51 0.022 21. BD ( 1) C 14 - H 15 /136. BD*( 1) C 1 - C 13 1.63 0.95 0.050 22. BD ( 1) C 14 - H 16 / 33. LP*( 1) C 13 1.32 0.50 0.034 22. BD ( 1) C 14 - H 16 /110. RY*( 2) C 13 0.39 1.36 0.029 22. BD ( 1) C 14 - H 16 /154. BD*( 1) C 13 - H 18 1.30 0.99 0.045 23. BD ( 1) C 14 - H 17 / 33. LP*( 1) C 13 5.75 0.50 0.069 24. CR ( 1) C 1 / 44. RY*( 1) C 2 0.52 11.36 0.097 24. CR ( 1) C 1 /110. RY*( 2) C 13 0.43 10.92 0.087 24. CR ( 1) C 1 /139. BD*( 1) C 2 - C 3 0.30 10.64 0.072 24. CR ( 1) C 1 /141. BD*( 1) C 2 - C 7 0.30 10.64 0.072 25. CR ( 1) C 2 / 55. RY*( 2) C 3 0.71 10.81 0.111 25. CR ( 1) C 2 / 95. RY*( 2) C 7 0.70 10.83 0.110 25. CR ( 1) C 2 /142. BD*( 1) C 3 - C 4 0.36 10.63 0.078 25. CR ( 1) C 2 /143. BD*( 1) C 3 - H 12 0.32 10.52 0.074 25. CR ( 1) C 2 /149. BD*( 1) C 6 - C 7 0.35 10.64 0.077 25. CR ( 1) C 2 /152. BD*( 1) C 7 - H 8 0.31 10.52 0.072 26. CR ( 1) C 3 / 44. RY*( 1) C 2 0.42 11.34 0.087 26. CR ( 1) C 3 / 45. RY*( 2) C 2 0.67 11.10 0.109 26. CR ( 1) C 3 / 65. RY*( 2) C 4 0.84 10.75 0.120 26. CR ( 1) C 3 /135. BD*( 1) C 1 - C 2 0.48 10.46 0.090 26. CR ( 1) C 3 /141. BD*( 1) C 2 - C 7 0.42 10.62 0.085 26. CR ( 1) C 3 /144. BD*( 1) C 4 - C 5 0.36 10.62 0.079 26. CR ( 1) C 3 /146. BD*( 1) C 4 - H 11 0.32 10.51 0.074 27. CR ( 1) C 4 / 55. RY*( 2) C 3 0.75 10.81 0.114 27. CR ( 1) C 4 / 75. RY*( 2) C 5 0.81 10.75 0.118 27. CR ( 1) C 4 /139. BD*( 1) C 2 - C 3 0.41 10.63 0.083 27. CR ( 1) C 4 /143. BD*( 1) C 3 - H 12 0.34 10.51 0.076 27. CR ( 1) C 4 /147. BD*( 1) C 5 - C 6 0.35 10.63 0.077 27. CR ( 1) C 4 /148. BD*( 1) C 5 - H 10 0.34 10.52 0.076 28. CR ( 1) C 5 / 65. RY*( 2) C 4 0.77 10.76 0.115 28. CR ( 1) C 5 / 85. RY*( 2) C 6 0.76 10.76 0.114 28. CR ( 1) C 5 /142. BD*( 1) C 3 - C 4 0.36 10.63 0.079 28. CR ( 1) C 5 /146. BD*( 1) C 4 - H 11 0.34 10.52 0.076 28. CR ( 1) C 5 /149. BD*( 1) C 6 - C 7 0.36 10.63 0.078 28. CR ( 1) C 5 /151. BD*( 1) C 6 - H 9 0.33 10.52 0.075 29. CR ( 1) C 6 / 75. RY*( 2) C 5 0.80 10.75 0.117 29. CR ( 1) C 6 / 95. RY*( 2) C 7 0.72 10.83 0.111 29. CR ( 1) C 6 / 98. RY*( 5) C 7 0.28 11.11 0.070 29. CR ( 1) C 6 /141. BD*( 1) C 2 - C 7 0.41 10.62 0.084 29. CR ( 1) C 6 /144. BD*( 1) C 4 - C 5 0.35 10.63 0.077 29. CR ( 1) C 6 /148. BD*( 1) C 5 - H 10 0.34 10.52 0.075 29. CR ( 1) C 6 /152. BD*( 1) C 7 - H 8 0.34 10.52 0.076 30. CR ( 1) C 7 / 45. RY*( 2) C 2 1.04 11.09 0.136 30. CR ( 1) C 7 / 85. RY*( 2) C 6 0.86 10.75 0.122 30. CR ( 1) C 7 /135. BD*( 1) C 1 - C 2 0.44 10.46 0.086 30. CR ( 1) C 7 /139. BD*( 1) C 2 - C 3 0.41 10.62 0.084 30. CR ( 1) C 7 /147. BD*( 1) C 5 - C 6 0.37 10.62 0.079 30. CR ( 1) C 7 /151. BD*( 1) C 6 - H 9 0.32 10.51 0.074 31. CR ( 1) C 13 / 36. RY*( 3) C 1 0.26 11.27 0.069 31. CR ( 1) C 13 / 37. RY*( 4) C 1 0.38 11.39 0.083 31. CR ( 1) C 13 /120. RY*( 2) C 14 0.73 10.73 0.112 32. CR ( 1) C 14 /110. RY*( 2) C 13 0.33 10.92 0.076 33. LP*( 1) C 13 /111. RY*( 3) C 13 0.50 1.01 0.108 33. LP*( 1) C 13 /138. BD*( 1) C 1 - H 20 0.47 0.43 0.067 33. LP*( 1) C 13 /140. BD*( 2) C 2 - C 3 0.38 0.04 0.010 33. LP*( 1) C 13 /157. BD*( 1) C 14 - H 17 0.50 0.43 0.070 140. BD*( 2) C 2 - C 3 / 56. RY*( 3) C 3 0.34 1.79 0.075 140. BD*( 2) C 2 - C 3 / 57. RY*( 4) C 3 0.62 0.78 0.067 140. BD*( 2) C 2 - C 3 /136. BD*( 1) C 1 - C 13 0.40 0.40 0.038 140. BD*( 2) C 2 - C 3 /137. BD*( 1) C 1 - H 19 0.53 0.39 0.043 145. BD*( 2) C 4 - C 5 / 57. RY*( 4) C 3 0.26 0.79 0.044 145. BD*( 2) C 4 - C 5 / 67. RY*( 4) C 4 1.14 0.69 0.086 145. BD*( 2) C 4 - C 5 / 76. RY*( 3) C 5 0.26 1.85 0.067 145. BD*( 2) C 4 - C 5 / 77. RY*( 4) C 5 0.75 0.73 0.072 150. BD*( 2) C 6 - C 7 / 87. RY*( 4) C 6 0.81 0.73 0.076 150. BD*( 2) C 6 - C 7 / 97. RY*( 4) C 7 1.01 0.67 0.081 Natural Bond Orbitals (Summary): Principal Delocalizations NBO Occupancy Energy (geminal,vicinal,remote) ==================================================================================== Molecular unit 1 (C9H11) 1. BD ( 1) C 1 - C 2 0.98792 -0.60267 149(v),142(v),153(v),139(g) 141(g),54(v),94(v),109(v) 136(g),138(g),137(g) 2. BD ( 1) C 1 - C 13 0.99068 -0.60300 140(v),139(v),135(g),155(v) 119(v),45(v),138(g),137(g) 46(v) 3. BD ( 1) C 1 - H 19 0.98021 -0.48142 140(v),33(v),154(v),139(v) 46(v),135(g) 4. BD ( 1) C 1 - H 20 0.97164 -0.47882 33(v),141(v),136(g),45(v) 5. BD ( 1) C 2 - C 3 0.98819 -0.67721 141(g),142(g),152(v),146(v) 135(g),65(v),143(g),64(v) 34(v),95(v),136(v) 6. BD ( 2) C 2 - C 3 0.82815 -0.23187 145(v),150(v),137(v),136(v) 67(v),97(v) 7. BD ( 1) C 2 - C 7 0.98744 -0.67303 139(g),149(g),143(v),151(v) 135(g),85(v),152(g),34(v) 84(v),138(v),55(v) 8. BD ( 1) C 3 - C 4 0.98984 -0.67719 135(v),139(g),144(g),148(v) 45(v),75(v),143(g),146(g) 44(v),74(v) 9. BD ( 1) C 3 - H 12 0.99113 -0.50776 141(v),144(v),44(v),64(v) 139(g),142(g) 10. BD ( 1) C 4 - C 5 0.99033 -0.67863 142(g),147(g),151(v),143(v) 85(v),55(v),146(g),148(g) 54(v),84(v) 11. BD ( 2) C 4 - C 5 0.83525 -0.23487 150(v),140(v),57(v),87(v) 12. BD ( 1) C 4 - H 11 0.99147 -0.51013 139(v),147(v),74(v),54(v) 142(g),144(g) 13. BD ( 1) C 5 - C 6 0.99033 -0.67714 149(g),144(g),146(v),152(v) 65(v),95(v),148(g),151(g) 94(v),64(v) 14. BD ( 1) C 5 - H 10 0.99155 -0.51055 142(v),149(v),64(v),84(v) 144(g),147(g) 15. BD ( 1) C 6 - C 7 0.98992 -0.67845 135(v),141(g),147(g),148(v) 75(v),45(v),44(v),152(g) 151(g),74(v) 16. BD ( 2) C 6 - C 7 0.83719 -0.23471 140(v),145(v),77(v) 17. BD ( 1) C 6 - H 9 0.99149 -0.50974 141(v),144(v),74(v),94(v) 149(g),147(g) 18. BD ( 1) C 7 - H 8 0.99067 -0.50567 139(v),147(v),44(v),84(v) 141(g),149(g) 19. BD ( 1) C 13 - C 14 0.99585 -0.60983 135(v),35(v),155(g),156(g) 157(g) 20. BD ( 1) C 13 - H 18 0.99307 -0.49617 156(v),137(v),34(v),119(v) 21. BD ( 1) C 14 - H 15 0.99196 -0.49083 136(v),33(v) 22. BD ( 1) C 14 - H 16 0.98975 -0.48932 33(v),154(v),110(v) 23. BD ( 1) C 14 - H 17 0.97420 -0.48283 33(v) 24. CR ( 1) C 1 0.99962 -10.04917 44(v),110(v),141(v),139(v) 25. CR ( 1) C 2 0.99951 -10.03916 55(v),95(v),142(v),149(v) 143(v),152(v) 26. CR ( 1) C 3 0.99951 -10.03192 65(v),45(v),135(v),141(v) 44(v),144(v),146(v) 27. CR ( 1) C 4 0.99955 -10.03703 75(v),55(v),139(v),147(v) 148(v),143(v) 28. CR ( 1) C 5 0.99955 -10.03644 65(v),85(v),142(v),149(v) 146(v),151(v) 29. CR ( 1) C 6 0.99955 -10.03693 75(v),95(v),141(v),144(v) 152(v),148(v),98(v) 30. CR ( 1) C 7 0.99951 -10.03079 45(v),85(v),135(v),139(v) 147(v),151(v) 31. CR ( 1) C 13 0.99964 -10.05245 120(v),37(v),36(v) 32. CR ( 1) C 14 0.99971 -10.05014 110(v) 33. LP*( 1) C 13 0.06879 0.01548 34. RY*( 1) C 1 0.00227 0.94666 35. RY*( 2) C 1 0.00104 0.88890 36. RY*( 3) C 1 0.00026 1.21327 37. RY*( 4) C 1 0.00016 1.33651 38. RY*( 5) C 1 0.00009 1.63874 39. RY*( 6) C 1 0.00001 2.02841 40. RY*( 7) C 1 0.00001 4.29306 41. RY*( 8) C 1 0.00001 1.98602 42. RY*( 9) C 1 0.00001 2.18463 43. RY*( 10) C 1 0.00001 2.06252 44. RY*( 1) C 2 0.00264 1.30920 45. RY*( 2) C 2 0.00216 1.06322 46. RY*( 3) C 2 0.00121 0.85709 47. RY*( 4) C 2 0.00032 1.94067 48. RY*( 5) C 2 0.00019 1.11807 49. RY*( 6) C 2 0.00011 2.35227 50. RY*( 7) C 2 0.00006 1.84816 51. RY*( 8) C 2 0.00004 2.83502 52. RY*( 9) C 2 0.00002 3.72442 53. RY*( 10) C 2 0.00001 2.30544 54. RY*( 1) C 3 0.00243 1.29073 55. RY*( 2) C 3 0.00120 0.77413 56. RY*( 3) C 3 0.00031 1.84103 57. RY*( 4) C 3 0.00023 0.83173 58. RY*( 5) C 3 0.00012 1.14261 59. RY*( 6) C 3 0.00005 2.35527 60. RY*( 7) C 3 0.00002 3.49548 61. RY*( 8) C 3 0.00000 1.77845 62. RY*( 9) C 3 0.00001 2.25785 63. RY*( 10) C 3 0.00000 2.90144 64. RY*( 1) C 4 0.00242 1.27962 65. RY*( 2) C 4 0.00146 0.71869 66. RY*( 3) C 4 0.00032 1.95566 67. RY*( 4) C 4 0.00021 0.73311 68. RY*( 5) C 4 0.00013 1.13631 69. RY*( 6) C 4 0.00005 2.37271 70. RY*( 7) C 4 0.00001 4.06257 71. RY*( 8) C 4 0.00000 1.79257 72. RY*( 9) C 4 0.00001 2.20477 73. RY*( 10) C 4 0.00001 2.25438 74. RY*( 1) C 5 0.00235 1.28449 75. RY*( 2) C 5 0.00135 0.71392 76. RY*( 3) C 5 0.00030 1.89859 77. RY*( 4) C 5 0.00024 0.77574 78. RY*( 5) C 5 0.00011 1.13473 79. RY*( 6) C 5 0.00005 2.37344 80. RY*( 7) C 5 0.00001 4.11566 81. RY*( 8) C 5 0.00001 2.29319 82. RY*( 9) C 5 0.00001 2.17746 83. RY*( 10) C 5 0.00000 1.73014 84. RY*( 1) C 6 0.00243 1.27986 85. RY*( 2) C 6 0.00147 0.71972 86. RY*( 3) C 6 0.00033 1.91534 87. RY*( 4) C 6 0.00020 0.77571 88. RY*( 5) C 6 0.00013 1.14039 89. RY*( 6) C 6 0.00005 2.37267 90. RY*( 7) C 6 0.00001 4.10482 91. RY*( 8) C 6 0.00001 2.30212 92. RY*( 9) C 6 0.00001 2.20191 93. RY*( 10) C 6 0.00000 1.70639 94. RY*( 1) C 7 0.00235 1.29326 95. RY*( 2) C 7 0.00128 0.79084 96. RY*( 3) C 7 0.00030 1.95271 97. RY*( 4) C 7 0.00022 0.72033 98. RY*( 5) C 7 0.00014 1.07314 99. RY*( 6) C 7 0.00005 2.39612 100. RY*( 7) C 7 0.00002 4.15532 101. RY*( 8) C 7 0.00001 1.79225 102. RY*( 9) C 7 0.00002 2.24888 103. RY*( 10) C 7 0.00001 2.29819 104. RY*( 1) H 8 0.00049 0.59291 105. RY*( 1) H 9 0.00044 0.57055 106. RY*( 1) H 10 0.00042 0.56976 107. RY*( 1) H 11 0.00044 0.56989 108. RY*( 1) H 12 0.00052 0.58633 109. RY*( 1) C 13 0.00119 1.13904 110. RY*( 2) C 13 0.00064 0.86687 111. RY*( 3) C 13 0.00016 1.02327 112. RY*( 4) C 13 0.00013 1.05139 113. RY*( 5) C 13 0.00012 1.87593 114. RY*( 6) C 13 0.00005 2.08862 115. RY*( 7) C 13 0.00001 4.20123 116. RY*( 8) C 13 0.00002 2.10548 117. RY*( 9) C 13 0.00000 1.92480 118. RY*( 10) C 13 0.00001 1.86922 119. RY*( 1) C 14 0.00120 0.83984 120. RY*( 2) C 14 0.00024 0.68095 121. RY*( 3) C 14 0.00005 1.05189 122. RY*( 4) C 14 0.00000 4.02467 123. RY*( 5) C 14 0.00000 1.10740 124. RY*( 6) C 14 0.00001 1.96957 125. RY*( 7) C 14 0.00001 1.82192 126. RY*( 8) C 14 0.00000 1.97916 127. RY*( 9) C 14 0.00001 2.09675 128. RY*( 10) C 14 0.00000 2.05077 129. RY*( 1) H 15 0.00037 0.64507 130. RY*( 1) H 16 0.00044 0.65915 131. RY*( 1) H 17 0.00022 0.65308 132. RY*( 1) H 18 0.00055 0.61854 133. RY*( 1) H 19 0.00071 0.66838 134. RY*( 1) H 20 0.00045 0.67917 135. BD*( 1) C 1 - C 2 0.00995 0.43094 136. BD*( 1) C 1 - C 13 0.00687 0.45421 137. BD*( 1) C 1 - H 19 0.00668 0.44158 138. BD*( 1) C 1 - H 20 0.00296 0.44099 139. BD*( 1) C 2 - C 3 0.01088 0.59406 140. BD*( 2) C 2 - C 3 0.16976 0.05187 150(v),145(v),57(g),137(v) 136(v),56(g),33(r) 141. BD*( 1) C 2 - C 7 0.01154 0.58747 142. BD*( 1) C 3 - C 4 0.00742 0.59252 143. BD*( 1) C 3 - H 12 0.00660 0.47664 144. BD*( 1) C 4 - C 5 0.00782 0.59304 145. BD*( 2) C 4 - C 5 0.16669 0.04652 150(v),140(v),67(g),77(g) 57(v),76(g) 146. BD*( 1) C 4 - H 11 0.00605 0.48200 147. BD*( 1) C 5 - C 6 0.00788 0.59002 148. BD*( 1) C 5 - H 10 0.00613 0.48312 149. BD*( 1) C 6 - C 7 0.00735 0.59736 150. BD*( 2) C 6 - C 7 0.16302 0.04763 145(v),140(v),97(g),87(g) 151. BD*( 1) C 6 - H 9 0.00607 0.48235 152. BD*( 1) C 7 - H 8 0.00629 0.48112 153. BD*( 1) C 13 - C 14 0.00299 0.46289 154. BD*( 1) C 13 - H 18 0.00580 0.49974 155. BD*( 1) C 14 - H 15 0.00216 0.45721 156. BD*( 1) C 14 - H 16 0.00291 0.44928 157. BD*( 1) C 14 - H 17 0.00097 0.44363 ------------------------------- Total Lewis 31.26440 ( 97.7012%) Valence non-Lewis 0.69360 ( 2.1675%) Rydberg non-Lewis 0.04200 ( 0.1313%) ------------------------------- Total unit 1 32.00000 (100.0000%) Charge unit 1 0.50000 Unable to Open any file for archive entry. 1\1\GINC-COMPUTE-0-0\SP\UB3LYP\6-31G(d)\C9H11(2)\BESSELMAN\08-Sep-2024 \0\\#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity\ \C9H11 2-propylbenzyl radical\\0,2\C\C,1,1.518155806\C,2,1.399501493,1 ,121.2171397\C,3,1.396786345,2,120.9872338,1,179.5156489,0\C,4,1.39488 6664,3,120.1043905,2,0.06296123,0\C,5,1.397148063,4,119.4908373,3,0.03 481,0\C,2,1.40255058,3,118.3396095,4,-0.16421884,0\H,7,1.087583353,2,1 19.1700209,3,-179.6351307,0\H,6,1.087171176,7,119.7746164,2,179.903917 4,0\H,5,1.086838878,4,120.2719553,3,179.972772,0\H,4,1.087105306,5,120 .1358181,6,-179.8347118,0\H,3,1.088027772,4,119.6730682,5,-179.9144333 ,0\C,1,1.499029179,2,114.2775851,3,125.0124818,0\C,13,1.49250005,1,121 .2695533,2,164.0189675,0\H,14,1.096001777,13,111.7646192,1,-164.823394 4,0\H,14,1.098935735,13,111.6282602,1,-43.64453312,0\H,14,1.105857572, 13,112.2470736,1,75.40095753,0\H,13,1.087773368,1,117.808977,2,-32.453 96006,0\H,1,1.102846215,2,109.5972486,3,-112.4638415,0\H,1,1.106441723 ,2,108.6730847,3,1.23499563,0\\Version=ES64L-G16RevC.01\State=2-A\HF=- 349.5277598\S2=0.754014\S2-1=0.\S2A=0.750012\RMSD=4.351e-09\Dipole=0.0 314758,-0.0118397,-0.1796401\Quadrupole=1.007216,-3.0844189,2.0772029, 0.050691,-0.0025505,0.0305641\PG=C01 [X(C9H11)]\\@ The archive entry for this job was punched. THE 2ND LAW OF THERMODYNAMICS HAS THE SAME DEGREE OF TRUTH AS THE STATEMENT THAT IF YOU THROW A TUMBLERFULL OF WATER INTO THE SEA, YOU CANNOT GET THE SAME TUMBLERFULL OF WATER OUT AGAIN. - J.C. MAXWELL, LETTER TO LORD RAYLEIGH, DECEMBER 6,1870 Job cpu time: 0 days 0 hours 1 minutes 36.8 seconds. Elapsed time: 0 days 0 hours 1 minutes 37.2 seconds. File lengths (MBytes): RWF= 29 Int= 0 D2E= 0 Chk= 3 Scr= 1 Normal termination of Gaussian 16 at Sun Sep 8 08:53:19 2024.