Default is to use a total of 8 processors: 8 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 7580. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 09 program. It is based on 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 09, Revision D.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013. ****************************************** Gaussian 09: EM64W-G09RevD.01 13-Apr-2013 14-Dec-2017 ****************************************** %chk=\\icnas1.cc.ic.ac.uk\ejr15\Transition structures stuff\Exercise 2\exercise2 _ts_exo_energy_mos.chk Default route: MaxDisk=10GB ---------------------------------------------------------------------- # b3lyp/6-31g(d) geom=connectivity integral=grid=ultrafine pop=full gf print ---------------------------------------------------------------------- 1/38=1,57=2/1; 2/12=2,17=6,18=5,40=1/2; 3/5=1,6=6,7=1,11=2,16=1,24=100,25=1,30=1,74=-5,75=-5/1,2,3; 4//1; 5/5=2,38=5/2; 6/7=3,28=1/1; 99/5=1,9=1/99; --------------------------- exercise2_ts_exo_energy_mos --------------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C -2.10964 -0.7039 -0.72667 C -2.10965 0.70386 -0.72669 C -1.19406 1.36453 0.07822 C -0.79232 0.77911 1.41668 C -0.79232 -0.77906 1.41671 C -1.19403 -1.36453 0.07826 H -2.6493 -1.24443 -1.50191 H -2.64933 1.24435 -1.50193 H -1.08868 2.4447 -0.01234 H 0.18108 1.18357 1.71522 H 0.18107 -1.18351 1.71529 H -1.08864 -2.4447 -0.01227 H -1.50754 -1.14187 2.16797 H -1.50752 1.14195 2.16794 C 2.40416 0.00001 0.41862 C 0.75851 0.6946 -0.97098 C 0.75851 -0.69462 -0.97096 H 2.20015 0.00002 1.49818 H 0.50623 1.34458 -1.79219 H 0.50623 -1.34464 -1.79215 H 3.48755 0.00001 0.24007 O 1.81586 -1.14793 -0.18567 O 1.81586 1.14793 -0.1857 Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -2.109637 -0.703898 -0.726669 2 6 0 -2.109652 0.703857 -0.726687 3 6 0 -1.194056 1.364529 0.078215 4 6 0 -0.792321 0.779113 1.416680 5 6 0 -0.792323 -0.779064 1.416709 6 6 0 -1.194034 -1.364528 0.078259 7 1 0 -2.649296 -1.244426 -1.501905 8 1 0 -2.649327 1.244354 -1.501934 9 1 0 -1.088682 2.444701 -0.012340 10 1 0 0.181082 1.183565 1.715220 11 1 0 0.181072 -1.183506 1.715289 12 1 0 -1.088639 -2.444700 -0.012266 13 1 0 -1.507541 -1.141873 2.167965 14 1 0 -1.507524 1.141951 2.167936 15 6 0 2.404164 0.000009 0.418616 16 6 0 0.758508 0.694596 -0.970984 17 6 0 0.758509 -0.694623 -0.970962 18 1 0 2.200150 0.000021 1.498175 19 1 0 0.506234 1.344583 -1.792194 20 1 0 0.506233 -1.344635 -1.792152 21 1 0 3.487552 0.000009 0.240074 22 8 0 1.815863 -1.147925 -0.185671 23 8 0 1.815855 1.147925 -0.185696 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.407755 0.000000 3 C 2.400941 1.386604 0.000000 4 C 2.920375 2.516952 1.515121 0.000000 5 C 2.516950 2.920369 2.558896 1.558177 0.000000 6 C 1.386604 2.400940 2.729057 2.558894 1.515120 7 H 1.088298 2.165176 3.379519 4.007643 3.490447 8 H 2.165176 1.088299 2.151541 3.490448 4.007638 9 H 3.386191 2.140843 1.089071 2.214523 3.538739 10 H 3.843531 3.382380 2.145586 1.095546 2.211004 11 H 3.382385 3.843540 3.326180 2.211003 1.095546 12 H 2.140841 3.386189 3.811761 3.538737 2.214524 13 H 2.988854 3.485436 3.278320 2.183153 1.098887 14 H 3.485461 2.988867 2.124791 1.098887 2.183152 15 C 4.709731 4.709741 3.863285 3.438117 3.438121 16 C 3.200270 2.878560 2.315628 2.848360 3.205905 17 C 2.878546 3.200276 3.025457 3.205902 2.848365 18 H 4.900989 4.900999 3.924131 3.093301 3.093300 19 H 3.489183 2.896324 2.527808 3.507545 4.061180 20 H 2.896303 3.489182 3.705243 4.061176 3.507550 21 H 5.723513 5.723524 4.879095 4.506519 4.506524 22 O 3.987404 4.373953 3.929589 3.617130 3.083231 23 O 4.373944 3.987414 3.029213 3.083215 3.617123 6 7 8 9 10 6 C 0.000000 7 H 2.151541 0.000000 8 H 3.379520 2.488780 0.000000 9 H 3.811762 4.273638 2.468873 0.000000 10 H 3.326163 4.925046 4.285439 2.487414 0.000000 11 H 2.145589 4.285444 4.925057 4.214364 2.367071 12 H 1.089070 2.468873 4.273637 4.889401 4.214345 13 H 2.124790 3.844745 4.523927 4.218138 2.909310 14 H 3.278332 4.523955 3.844756 2.574139 1.748735 15 C 3.863267 5.547475 5.547493 4.285116 2.832681 16 C 3.025446 3.956616 3.492489 2.719187 2.790735 17 C 2.315613 3.492466 3.956629 3.766487 3.328151 18 H 3.924110 5.836630 5.836647 4.367440 2.350430 19 H 3.705238 4.092017 3.170467 2.630950 3.526132 20 H 2.527794 3.170433 4.092023 4.480017 4.335802 21 H 4.879077 6.499539 6.499559 5.194434 3.809147 22 O 3.029201 4.656117 5.233877 4.623136 3.423703 23 O 3.929570 5.233863 4.656139 3.185595 2.507436 11 12 13 14 15 11 H 0.000000 12 H 2.487413 0.000000 13 H 1.748732 2.574149 0.000000 14 H 2.909295 4.218153 2.283824 0.000000 15 C 2.832703 4.285083 4.434586 4.434575 0.000000 16 C 3.328177 3.766467 4.284927 3.897159 2.263100 17 C 2.790768 2.719159 3.897163 4.284926 2.263100 18 H 2.350436 4.367405 3.936942 3.936932 1.098667 19 H 4.335828 4.480003 5.091229 4.447349 3.209003 20 H 3.526164 2.630923 4.447350 5.091230 3.209004 21 H 3.809170 5.194401 5.474634 5.474620 1.098001 22 O 2.507480 3.185565 4.072426 4.672034 1.424434 23 O 3.423716 4.623107 4.672029 4.072403 1.424434 16 17 18 19 20 16 C 0.000000 17 C 1.389219 0.000000 18 H 2.942365 2.942362 0.000000 19 H 1.077270 2.212787 3.937477 0.000000 20 H 2.212786 1.077271 3.937475 2.689218 0.000000 21 H 3.065419 3.065420 1.800062 3.850487 3.850490 22 O 2.264862 1.392897 2.073836 3.241703 2.081972 23 O 1.392899 2.264863 2.073834 2.081974 3.241707 21 22 23 21 H 0.000000 22 O 2.072090 0.000000 23 O 2.072091 2.295850 0.000000 Stoichiometry C9H12O2 Framework group C1[X(C9H12O2)] Deg. of freedom 63 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 2.109637 0.703898 -0.726669 2 6 0 2.109652 -0.703857 -0.726687 3 6 0 1.194056 -1.364529 0.078215 4 6 0 0.792321 -0.779113 1.416680 5 6 0 0.792323 0.779064 1.416709 6 6 0 1.194034 1.364528 0.078259 7 1 0 2.649296 1.244426 -1.501905 8 1 0 2.649327 -1.244354 -1.501934 9 1 0 1.088682 -2.444701 -0.012340 10 1 0 -0.181082 -1.183565 1.715220 11 1 0 -0.181072 1.183506 1.715289 12 1 0 1.088639 2.444700 -0.012266 13 1 0 1.507541 1.141873 2.167965 14 1 0 1.507524 -1.141951 2.167936 15 6 0 -2.404164 -0.000009 0.418616 16 6 0 -0.758508 -0.694596 -0.970984 17 6 0 -0.758509 0.694623 -0.970962 18 1 0 -2.200150 -0.000021 1.498175 19 1 0 -0.506234 -1.344583 -1.792194 20 1 0 -0.506233 1.344635 -1.792152 21 1 0 -3.487552 -0.000009 0.240074 22 8 0 -1.815863 1.147925 -0.185671 23 8 0 -1.815855 -1.147925 -0.185696 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9100719 1.0127377 0.9486756 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 3.986636275769 1.330174311855 -1.373205260985 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 Atom C1 Shell 2 SP 3 bf 2 - 5 3.986636275769 1.330174311855 -1.373205260985 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 Atom C1 Shell 3 SP 1 bf 6 - 9 3.986636275769 1.330174311855 -1.373205260985 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 3.986636275769 1.330174311855 -1.373205260985 0.8000000000D+00 0.1000000000D+01 Atom C2 Shell 5 S 6 bf 16 - 16 3.986664686271 -1.330097100344 -1.373239276056 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 Atom C2 Shell 6 SP 3 bf 17 - 20 3.986664686271 -1.330097100344 -1.373239276056 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 Atom C2 Shell 7 SP 1 bf 21 - 24 3.986664686271 -1.330097100344 -1.373239276056 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C2 Shell 8 D 1 bf 25 - 30 3.986664686271 -1.330097100344 -1.373239276056 0.8000000000D+00 0.1000000000D+01 Atom C3 Shell 9 S 6 bf 31 - 31 2.256439028228 -2.578586286032 0.147805067756 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 Atom C3 Shell 10 SP 3 bf 32 - 35 2.256439028228 -2.578586286032 0.147805067756 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 Atom C3 Shell 11 SP 1 bf 36 - 39 2.256439028228 -2.578586286032 0.147805067756 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 12 D 1 bf 40 - 45 2.256439028228 -2.578586286032 0.147805067756 0.8000000000D+00 0.1000000000D+01 Atom C4 Shell 13 S 6 bf 46 - 46 1.497269873365 -1.472310390661 2.677137356209 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 Atom C4 Shell 14 SP 3 bf 47 - 50 1.497269873365 -1.472310390661 2.677137356209 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 Atom C4 Shell 15 SP 1 bf 51 - 54 1.497269873365 -1.472310390661 2.677137356209 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C4 Shell 16 D 1 bf 55 - 60 1.497269873365 -1.472310390661 2.677137356209 0.8000000000D+00 0.1000000000D+01 Atom C5 Shell 17 S 6 bf 61 - 61 1.497273581303 1.472217405900 2.677192158267 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 Atom C5 Shell 18 SP 3 bf 62 - 65 1.497273581303 1.472217405900 2.677192158267 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 Atom C5 Shell 19 SP 1 bf 66 - 69 1.497273581303 1.472217405900 2.677192158267 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C5 Shell 20 D 1 bf 70 - 75 1.497273581303 1.472217405900 2.677192158267 0.8000000000D+00 0.1000000000D+01 Atom C6 Shell 21 S 6 bf 76 - 76 2.256397329000 2.578584045001 0.147888215706 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 Atom C6 Shell 22 SP 3 bf 77 - 80 2.256397329000 2.578584045001 0.147888215706 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 Atom C6 Shell 23 SP 1 bf 81 - 84 2.256397329000 2.578584045001 0.147888215706 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C6 Shell 24 D 1 bf 85 - 90 2.256397329000 2.578584045001 0.147888215706 0.8000000000D+00 0.1000000000D+01 Atom H7 Shell 25 S 3 bf 91 - 91 5.006443966108 2.351624223780 -2.838188989339 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H7 Shell 26 S 1 bf 92 - 92 5.006443966108 2.351624223780 -2.838188989339 0.1612777588D+00 0.1000000000D+01 Atom H8 Shell 27 S 3 bf 93 - 93 5.006502661843 -2.351488381222 -2.838243791397 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H8 Shell 28 S 1 bf 94 - 94 5.006502661843 -2.351488381222 -2.838243791397 0.1612777588D+00 0.1000000000D+01 Atom H9 Shell 29 S 3 bf 95 - 95 2.057311076277 -4.619815547280 -0.023319082207 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H9 Shell 30 S 1 bf 96 - 96 2.057311076277 -4.619815547280 -0.023319082207 0.1612777588D+00 0.1000000000D+01 Atom H10 Shell 31 S 3 bf 97 - 97 -0.342195195002 -2.236613949234 3.241296195921 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H10 Shell 32 S 1 bf 98 - 98 -0.342195195002 -2.236613949234 3.241296195921 0.1612777588D+00 0.1000000000D+01 Atom H11 Shell 33 S 3 bf 99 - 99 -0.342176406379 2.236501977862 3.241426587024 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H11 Shell 34 S 1 bf 100 - 100 -0.342176406379 2.236501977862 3.241426587024 0.1612777588D+00 0.1000000000D+01 Atom H12 Shell 35 S 3 bf 101 - 101 2.057229593649 4.619813296575 -0.023179242473 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H12 Shell 36 S 1 bf 102 - 102 2.057229593649 4.619813296575 -0.023179242473 0.1612777588D+00 0.1000000000D+01 Atom H13 Shell 37 S 3 bf 103 - 103 2.848839709962 2.157827087272 4.096860253954 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H13 Shell 38 S 1 bf 104 - 104 2.848839709962 2.157827087272 4.096860253954 0.1612777588D+00 0.1000000000D+01 Atom H14 Shell 39 S 3 bf 105 - 105 2.848807689436 -2.157974808440 4.096805451896 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H14 Shell 40 S 1 bf 106 - 106 2.848807689436 -2.157974808440 4.096805451896 0.1612777588D+00 0.1000000000D+01 Atom C15 Shell 41 S 6 bf 107 - 107 -4.543211400270 -0.000017348331 0.791069733117 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 Atom C15 Shell 42 SP 3 bf 108 - 111 -4.543211400270 -0.000017348331 0.791069733117 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 Atom C15 Shell 43 SP 1 bf 112 - 115 -4.543211400270 -0.000017348331 0.791069733117 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C15 Shell 44 D 1 bf 116 - 121 -4.543211400270 -0.000017348331 0.791069733117 0.8000000000D+00 0.1000000000D+01 Atom C16 Shell 45 S 6 bf 122 - 122 -1.433372219451 -1.312596478265 -1.834893701141 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 Atom C16 Shell 46 SP 3 bf 123 - 126 -1.433372219451 -1.312596478265 -1.834893701141 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 Atom C16 Shell 47 SP 1 bf 127 - 130 -1.433372219451 -1.312596478265 -1.834893701141 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C16 Shell 48 D 1 bf 131 - 136 -1.433372219451 -1.312596478265 -1.834893701141 0.8000000000D+00 0.1000000000D+01 Atom C17 Shell 49 S 6 bf 137 - 137 -1.433374172937 1.312646970336 -1.834852127166 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 Atom C17 Shell 50 SP 3 bf 138 - 141 -1.433374172937 1.312646970336 -1.834852127166 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 Atom C17 Shell 51 SP 1 bf 142 - 145 -1.433374172937 1.312646970336 -1.834852127166 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C17 Shell 52 D 1 bf 146 - 151 -1.433374172937 1.312646970336 -1.834852127166 0.8000000000D+00 0.1000000000D+01 Atom H18 Shell 53 S 3 bf 152 - 152 -4.157680812995 -0.000040015681 2.831140587409 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H18 Shell 54 S 1 bf 153 - 153 -4.157680812995 -0.000040015681 2.831140587409 0.1612777588D+00 0.1000000000D+01 Atom H19 Shell 55 S 3 bf 154 - 154 -0.956643419172 -2.540893886622 -3.386755698728 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H19 Shell 56 S 1 bf 155 - 155 -0.956643419172 -2.540893886622 -3.386755698728 0.1612777588D+00 0.1000000000D+01 Atom H20 Shell 57 S 3 bf 156 - 156 -0.956641652870 2.540991645004 -3.386676330231 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H20 Shell 58 S 1 bf 157 - 157 -0.956641652870 2.540991645004 -3.386676330231 0.1612777588D+00 0.1000000000D+01 Atom H21 Shell 59 S 3 bf 158 - 158 -6.590518015925 -0.000017398054 0.453674249899 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H21 Shell 60 S 1 bf 159 - 159 -6.590518015925 -0.000017398054 0.453674249899 0.1612777588D+00 0.1000000000D+01 Atom O22 Shell 61 S 6 bf 160 - 160 -3.431483679253 2.169263557297 -0.350867202546 0.5484671660D+04 0.1831074430D-02 0.8252349460D+03 0.1395017220D-01 0.1880469580D+03 0.6844507810D-01 0.5296450000D+02 0.2327143360D+00 0.1689757040D+02 0.4701928980D+00 0.5799635340D+01 0.3585208530D+00 Atom O22 Shell 62 SP 3 bf 161 - 164 -3.431483679253 2.169263557297 -0.350867202546 0.1553961625D+02 -0.1107775495D+00 0.7087426823D-01 0.3599933586D+01 -0.1480262627D+00 0.3397528391D+00 0.1013761750D+01 0.1130767015D+01 0.7271585773D+00 Atom O22 Shell 63 SP 1 bf 165 - 168 -3.431483679253 2.169263557297 -0.350867202546 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O22 Shell 64 D 1 bf 169 - 174 -3.431483679253 2.169263557297 -0.350867202546 0.8000000000D+00 0.1000000000D+01 Atom O23 Shell 65 S 6 bf 175 - 175 -3.431468456073 -2.169264184888 -0.350914445700 0.5484671660D+04 0.1831074430D-02 0.8252349460D+03 0.1395017220D-01 0.1880469580D+03 0.6844507810D-01 0.5296450000D+02 0.2327143360D+00 0.1689757040D+02 0.4701928980D+00 0.5799635340D+01 0.3585208530D+00 Atom O23 Shell 66 SP 3 bf 176 - 179 -3.431468456073 -2.169264184888 -0.350914445700 0.1553961625D+02 -0.1107775495D+00 0.7087426823D-01 0.3599933586D+01 -0.1480262627D+00 0.3397528391D+00 0.1013761750D+01 0.1130767015D+01 0.7271585773D+00 Atom O23 Shell 67 SP 1 bf 180 - 183 -3.431468456073 -2.169264184888 -0.350914445700 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O23 Shell 68 D 1 bf 184 - 189 -3.431468456073 -2.169264184888 -0.350914445700 0.8000000000D+00 0.1000000000D+01 There are 189 symmetry adapted cartesian basis functions of A symmetry. There are 189 symmetry adapted basis functions of A symmetry. 189 basis functions, 356 primitive gaussians, 189 cartesian basis functions 41 alpha electrons 41 beta electrons nuclear repulsion energy 650.5328731206 Hartrees. NAtoms= 23 NActive= 23 NUniq= 23 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= 189 RedAO= T EigKep= 1.05D-03 NBF= 189 NBsUse= 189 1.00D-06 EigRej= -1.00D+00 NBFU= 189 ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Keep R1 ints in memory in canonical form, NReq=164758057. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RB3LYP) = -500.488668996 A.U. after 15 cycles NFock= 15 Conv=0.41D-08 -V/T= 2.0093 ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -19.17684 -19.17683 -10.29230 -10.23860 -10.23802 Alpha occ. eigenvalues -- -10.18643 -10.18641 -10.18037 -10.18019 -10.16936 Alpha occ. eigenvalues -- -10.16886 -1.10717 -1.01319 -0.82908 -0.76591 Alpha occ. eigenvalues -- -0.73369 -0.72868 -0.64376 -0.61453 -0.60399 Alpha occ. eigenvalues -- -0.58468 -0.53237 -0.51154 -0.49418 -0.47019 Alpha occ. eigenvalues -- -0.44671 -0.44355 -0.44105 -0.40558 -0.39790 Alpha occ. eigenvalues -- -0.38963 -0.38415 -0.37329 -0.35526 -0.34882 Alpha occ. eigenvalues -- -0.32858 -0.31942 -0.31708 -0.28626 -0.19800 Alpha occ. eigenvalues -- -0.18560 Alpha virt. eigenvalues -- -0.00699 0.01019 0.08378 0.11232 0.11913 Alpha virt. eigenvalues -- 0.12247 0.12316 0.13517 0.14425 0.14526 Alpha virt. eigenvalues -- 0.16394 0.17144 0.17765 0.19270 0.19777 Alpha virt. eigenvalues -- 0.20300 0.22887 0.23612 0.24272 0.24912 Alpha virt. eigenvalues -- 0.30439 0.31363 0.32662 0.37013 0.43216 Alpha virt. eigenvalues -- 0.47398 0.47797 0.49140 0.50830 0.52317 Alpha virt. eigenvalues -- 0.54653 0.54787 0.54867 0.56890 0.57935 Alpha virt. eigenvalues -- 0.60744 0.61336 0.61823 0.63631 0.66309 Alpha virt. eigenvalues -- 0.67863 0.71283 0.72293 0.74094 0.75190 Alpha virt. eigenvalues -- 0.77536 0.79575 0.79877 0.81070 0.82848 Alpha virt. eigenvalues -- 0.84209 0.85443 0.86451 0.88061 0.88445 Alpha virt. eigenvalues -- 0.88520 0.88709 0.89805 0.91384 0.93717 Alpha virt. eigenvalues -- 0.94030 0.95123 1.00794 1.01439 1.02296 Alpha virt. eigenvalues -- 1.02724 1.09208 1.09920 1.11415 1.14921 Alpha virt. eigenvalues -- 1.15185 1.18945 1.20405 1.25127 1.26440 Alpha virt. eigenvalues -- 1.36727 1.37044 1.39833 1.42708 1.43216 Alpha virt. eigenvalues -- 1.43859 1.47574 1.49204 1.52643 1.58528 Alpha virt. eigenvalues -- 1.63998 1.66109 1.72044 1.72342 1.75846 Alpha virt. eigenvalues -- 1.77089 1.79419 1.86001 1.87778 1.88534 Alpha virt. eigenvalues -- 1.90842 1.93561 1.95825 1.97652 1.97837 Alpha virt. eigenvalues -- 1.98102 2.00054 2.01937 2.04158 2.08889 Alpha virt. eigenvalues -- 2.12024 2.14082 2.16023 2.23011 2.25488 Alpha virt. eigenvalues -- 2.26203 2.27988 2.29194 2.30960 2.31854 Alpha virt. eigenvalues -- 2.37118 2.40151 2.43437 2.44809 2.45144 Alpha virt. eigenvalues -- 2.48408 2.52227 2.54538 2.59890 2.62740 Alpha virt. eigenvalues -- 2.64518 2.67569 2.69296 2.69442 2.73616 Alpha virt. eigenvalues -- 2.76593 2.80389 2.86686 2.87994 2.94457 Alpha virt. eigenvalues -- 3.10577 3.13119 4.00624 4.10577 4.12767 Alpha virt. eigenvalues -- 4.25202 4.26809 4.36206 4.37018 4.44857 Alpha virt. eigenvalues -- 4.48935 4.64966 4.87452 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.17684 -19.17683 -10.29230 -10.23860 -10.23802 1 1 C 1S -0.00002 0.00001 -0.00002 -0.00008 0.00004 2 2S -0.00009 0.00006 -0.00007 -0.00010 0.00006 3 2PX 0.00001 0.00000 0.00002 0.00007 -0.00005 4 2PY -0.00001 -0.00001 0.00005 0.00001 0.00000 5 2PZ 0.00001 -0.00002 0.00001 0.00003 0.00001 6 3S 0.00105 -0.00052 0.00019 0.00041 0.00110 7 3PX -0.00042 0.00019 -0.00024 0.00002 -0.00054 8 3PY -0.00025 -0.00010 -0.00025 0.00017 -0.00035 9 3PZ 0.00028 -0.00007 0.00019 -0.00007 0.00056 10 4XX -0.00001 0.00000 -0.00001 -0.00006 0.00003 11 4YY -0.00001 0.00002 -0.00003 -0.00006 0.00005 12 4ZZ -0.00003 0.00003 -0.00003 -0.00007 0.00004 13 4XY 0.00000 0.00001 0.00001 -0.00002 0.00001 14 4XZ -0.00002 0.00002 -0.00002 0.00000 0.00001 15 4YZ 0.00001 0.00000 0.00000 0.00006 -0.00006 16 2 C 1S 0.00002 0.00001 -0.00002 -0.00008 -0.00004 17 2S 0.00010 0.00006 -0.00007 -0.00010 -0.00006 18 2PX -0.00001 0.00000 0.00002 0.00007 0.00005 19 2PY -0.00001 0.00001 -0.00005 -0.00001 0.00000 20 2PZ -0.00001 -0.00002 0.00001 0.00003 -0.00001 21 3S -0.00107 -0.00047 0.00019 0.00041 -0.00110 22 3PX 0.00043 0.00017 -0.00024 0.00002 0.00054 23 3PY -0.00024 0.00011 0.00025 -0.00017 -0.00035 24 3PZ -0.00028 -0.00006 0.00019 -0.00007 -0.00056 25 4XX 0.00001 0.00000 -0.00001 -0.00006 -0.00003 26 4YY 0.00002 0.00002 -0.00003 -0.00006 -0.00005 27 4ZZ 0.00003 0.00003 -0.00003 -0.00007 -0.00004 28 4XY 0.00000 -0.00001 -0.00001 0.00002 0.00001 29 4XZ 0.00002 0.00002 -0.00002 0.00000 -0.00001 30 4YZ 0.00001 0.00000 0.00000 -0.00006 -0.00006 31 3 C 1S -0.00002 -0.00001 0.00004 -0.00011 -0.00022 32 2S -0.00013 -0.00008 0.00012 -0.00041 -0.00085 33 2PX 0.00000 -0.00002 -0.00003 0.00010 0.00008 34 2PY 0.00000 0.00000 0.00006 -0.00008 -0.00015 35 2PZ 0.00000 0.00001 0.00003 -0.00003 -0.00010 36 3S 0.00106 0.00045 -0.00079 0.00148 0.00369 37 3PX -0.00001 0.00013 0.00019 -0.00090 -0.00076 38 3PY 0.00047 0.00013 -0.00067 0.00037 0.00137 39 3PZ 0.00001 -0.00024 -0.00037 0.00000 -0.00002 40 4XX 0.00002 0.00002 0.00004 -0.00005 -0.00013 41 4YY -0.00001 -0.00001 0.00004 -0.00020 -0.00028 42 4ZZ -0.00002 0.00000 0.00003 -0.00013 -0.00020 43 4XY 0.00001 0.00001 0.00002 -0.00007 -0.00010 44 4XZ -0.00002 0.00000 0.00003 0.00009 0.00012 45 4YZ 0.00001 -0.00001 -0.00002 -0.00003 -0.00005 46 4 C 1S 0.00001 -0.00001 -0.00002 -0.00010 -0.00014 47 2S 0.00003 -0.00005 -0.00005 -0.00012 -0.00029 48 2PX -0.00003 0.00000 0.00006 0.00013 0.00015 49 2PY 0.00001 -0.00001 -0.00004 -0.00004 0.00001 50 2PZ -0.00003 -0.00002 0.00000 0.00020 0.00028 51 3S -0.00036 0.00034 0.00051 -0.00023 0.00029 52 3PX -0.00004 -0.00011 -0.00002 -0.00054 -0.00141 53 3PY -0.00018 -0.00008 -0.00001 0.00019 0.00084 54 3PZ 0.00045 0.00007 -0.00041 -0.00027 -0.00056 55 4XX 0.00003 0.00000 -0.00003 -0.00006 -0.00011 56 4YY 0.00000 -0.00001 -0.00002 -0.00010 -0.00010 57 4ZZ -0.00001 -0.00003 0.00002 -0.00011 -0.00016 58 4XY 0.00000 0.00000 0.00002 0.00001 -0.00005 59 4XZ 0.00003 0.00001 -0.00003 -0.00001 -0.00003 60 4YZ 0.00001 0.00000 0.00001 0.00004 -0.00003 61 5 C 1S -0.00001 -0.00001 -0.00002 -0.00010 0.00014 62 2S -0.00003 -0.00005 -0.00005 -0.00012 0.00029 63 2PX 0.00003 0.00000 0.00006 0.00013 -0.00015 64 2PY 0.00001 0.00001 0.00004 0.00004 0.00001 65 2PZ 0.00003 -0.00002 0.00000 0.00020 -0.00027 66 3S 0.00037 0.00032 0.00051 -0.00023 -0.00029 67 3PX 0.00004 -0.00012 -0.00002 -0.00054 0.00141 68 3PY -0.00018 0.00008 0.00001 -0.00019 0.00084 69 3PZ -0.00045 0.00009 -0.00041 -0.00027 0.00056 70 4XX -0.00003 0.00000 -0.00003 -0.00006 0.00011 71 4YY 0.00000 -0.00001 -0.00002 -0.00010 0.00010 72 4ZZ 0.00000 -0.00003 0.00002 -0.00011 0.00016 73 4XY 0.00000 0.00000 -0.00002 -0.00001 -0.00005 74 4XZ -0.00003 0.00001 -0.00003 -0.00001 0.00003 75 4YZ 0.00001 0.00000 -0.00001 -0.00004 -0.00003 76 6 C 1S 0.00002 -0.00001 0.00004 -0.00011 0.00022 77 2S 0.00013 -0.00008 0.00012 -0.00041 0.00085 78 2PX 0.00000 -0.00002 -0.00003 0.00010 -0.00008 79 2PY 0.00000 0.00000 -0.00006 0.00008 -0.00015 80 2PZ 0.00000 0.00001 0.00003 -0.00003 0.00010 81 3S -0.00104 0.00050 -0.00079 0.00148 -0.00369 82 3PX 0.00001 0.00013 0.00019 -0.00090 0.00076 83 3PY 0.00046 -0.00016 0.00067 -0.00037 0.00137 84 3PZ -0.00002 -0.00024 -0.00037 0.00000 0.00002 85 4XX -0.00002 0.00002 0.00004 -0.00005 0.00013 86 4YY 0.00001 -0.00001 0.00004 -0.00020 0.00028 87 4ZZ 0.00002 0.00000 0.00003 -0.00013 0.00020 88 4XY 0.00001 -0.00001 -0.00002 0.00007 -0.00010 89 4XZ 0.00002 0.00000 0.00003 0.00009 -0.00012 90 4YZ 0.00001 0.00001 0.00002 0.00003 -0.00005 91 7 H 1S 0.00000 0.00002 0.00003 0.00001 0.00002 92 2S 0.00010 0.00001 0.00012 -0.00020 0.00028 93 8 H 1S 0.00000 0.00002 0.00003 0.00001 -0.00002 94 2S -0.00010 0.00001 0.00012 -0.00020 -0.00028 95 9 H 1S -0.00001 -0.00001 -0.00002 -0.00006 -0.00005 96 2S 0.00010 0.00002 -0.00025 -0.00007 0.00001 97 10 H 1S 0.00009 0.00004 -0.00007 -0.00004 -0.00018 98 2S -0.00032 -0.00032 0.00010 -0.00027 -0.00023 99 11 H 1S -0.00009 0.00004 -0.00007 -0.00004 0.00018 100 2S 0.00030 -0.00033 0.00010 -0.00027 0.00023 101 12 H 1S 0.00001 -0.00001 -0.00002 -0.00006 0.00005 102 2S -0.00010 0.00003 -0.00025 -0.00007 -0.00001 103 13 H 1S 0.00002 -0.00002 0.00001 0.00005 -0.00013 104 2S 0.00012 -0.00004 0.00012 0.00049 -0.00082 105 14 H 1S -0.00002 -0.00002 0.00001 0.00005 0.00013 106 2S -0.00012 -0.00003 0.00012 0.00049 0.00082 107 15 C 1S 0.00000 0.00002 0.99303 0.00001 0.00000 108 2S 0.00001 0.00035 0.04864 -0.00058 0.00000 109 2PX 0.00000 0.00016 0.00077 0.00008 0.00000 110 2PY -0.00042 0.00001 0.00000 0.00000 0.00008 111 2PZ 0.00000 -0.00021 -0.00067 -0.00010 0.00000 112 3S -0.00007 -0.00286 -0.01350 0.00274 0.00000 113 3PX -0.00001 -0.00043 -0.00060 0.00136 0.00000 114 3PY 0.00114 -0.00003 0.00000 0.00000 0.00025 115 3PZ 0.00001 0.00058 -0.00001 -0.00099 0.00000 116 4XX 0.00000 0.00008 -0.00875 0.00007 0.00000 117 4YY 0.00001 0.00039 -0.00875 0.00003 0.00000 118 4ZZ 0.00000 0.00010 -0.00878 0.00002 0.00000 119 4XY -0.00013 0.00000 0.00000 0.00000 -0.00002 120 4XZ 0.00000 -0.00009 -0.00006 -0.00025 0.00000 121 4YZ 0.00017 0.00000 0.00000 0.00000 0.00003 122 16 C 1S 0.00001 0.00000 -0.00012 0.70183 0.70257 123 2S 0.00018 0.00025 -0.00038 0.03459 0.03561 124 2PX -0.00022 -0.00015 -0.00006 -0.00041 -0.00036 125 2PY -0.00009 -0.00012 -0.00014 -0.00024 0.00010 126 2PZ 0.00017 0.00012 0.00002 0.00060 0.00067 127 3S -0.00181 -0.00135 0.00089 -0.00715 -0.01899 128 3PX 0.00102 0.00043 -0.00066 -0.00005 0.00024 129 3PY 0.00043 0.00048 0.00057 0.00047 -0.00480 130 3PZ -0.00092 -0.00029 0.00080 -0.00080 -0.00265 131 4XX 0.00011 0.00006 0.00007 -0.00639 -0.00611 132 4YY 0.00015 -0.00001 -0.00003 -0.00645 -0.00590 133 4ZZ 0.00006 0.00001 -0.00003 -0.00634 -0.00605 134 4XY 0.00004 0.00007 -0.00004 0.00009 -0.00002 135 4XZ -0.00006 -0.00004 -0.00018 -0.00019 -0.00019 136 4YZ -0.00003 -0.00007 0.00000 0.00007 0.00001 137 17 C 1S -0.00001 0.00000 -0.00012 0.70223 -0.70217 138 2S -0.00017 0.00026 -0.00038 0.03461 -0.03559 139 2PX 0.00021 -0.00016 -0.00006 -0.00041 0.00036 140 2PY -0.00009 0.00012 0.00014 0.00024 0.00010 141 2PZ -0.00016 0.00013 0.00002 0.00060 -0.00067 142 3S 0.00175 -0.00143 0.00089 -0.00716 0.01899 143 3PX -0.00100 0.00048 -0.00066 -0.00005 -0.00024 144 3PY 0.00040 -0.00050 -0.00057 -0.00047 -0.00480 145 3PZ 0.00091 -0.00033 0.00080 -0.00080 0.00264 146 4XX -0.00011 0.00006 0.00007 -0.00639 0.00611 147 4YY -0.00015 0.00000 -0.00003 -0.00645 0.00589 148 4ZZ -0.00006 0.00001 -0.00003 -0.00635 0.00604 149 4XY 0.00004 -0.00007 0.00004 -0.00009 -0.00002 150 4XZ 0.00006 -0.00004 -0.00018 -0.00019 0.00019 151 4YZ -0.00003 0.00007 0.00000 -0.00007 0.00001 152 18 H 1S 0.00000 0.00011 -0.00007 -0.00013 0.00000 153 2S 0.00000 0.00017 0.00276 -0.00005 0.00000 154 19 H 1S 0.00004 0.00011 0.00006 -0.00026 -0.00012 155 2S -0.00005 0.00011 0.00039 0.00139 0.00070 156 20 H 1S -0.00004 0.00011 0.00006 -0.00026 0.00012 157 2S 0.00006 0.00011 0.00039 0.00139 -0.00070 158 21 H 1S 0.00000 0.00018 -0.00018 -0.00007 0.00000 159 2S 0.00000 0.00013 0.00240 0.00015 0.00000 160 22 O 1S -0.68573 0.71779 -0.00007 -0.00003 0.00014 161 2S -0.01773 0.01865 0.00001 0.00009 0.00035 162 2PX -0.00018 0.00019 0.00009 -0.00008 0.00006 163 2PY 0.00062 -0.00062 0.00000 -0.00004 -0.00003 164 2PZ 0.00008 -0.00006 -0.00006 0.00006 -0.00002 165 3S -0.00926 0.00941 0.00114 0.00000 -0.00352 166 3PX -0.00032 0.00018 -0.00053 0.00028 -0.00045 167 3PY 0.00019 -0.00034 0.00039 0.00072 0.00031 168 3PZ 0.00011 -0.00011 0.00039 -0.00014 -0.00008 169 4XX 0.00570 -0.00593 -0.00010 -0.00015 0.00038 170 4YY 0.00571 -0.00603 -0.00050 -0.00004 0.00038 171 4ZZ 0.00570 -0.00593 -0.00002 -0.00008 0.00034 172 4XY 0.00001 0.00000 -0.00016 0.00009 -0.00017 173 4XZ -0.00001 0.00004 0.00020 0.00032 -0.00037 174 4YZ -0.00001 0.00001 0.00020 -0.00004 0.00013 175 23 O 1S 0.71779 0.68574 -0.00007 -0.00003 -0.00014 176 2S 0.01856 0.01782 0.00001 0.00009 -0.00035 177 2PX 0.00019 0.00018 0.00009 -0.00008 -0.00006 178 2PY 0.00065 0.00059 0.00000 0.00004 -0.00003 179 2PZ -0.00008 -0.00005 -0.00006 0.00006 0.00002 180 3S 0.00968 0.00898 0.00114 0.00000 0.00352 181 3PX 0.00033 0.00017 -0.00053 0.00028 0.00045 182 3PY 0.00021 0.00033 -0.00039 -0.00072 0.00031 183 3PZ -0.00011 -0.00010 0.00039 -0.00014 0.00008 184 4XX -0.00596 -0.00566 -0.00010 -0.00015 -0.00038 185 4YY -0.00598 -0.00576 -0.00050 -0.00004 -0.00038 186 4ZZ -0.00596 -0.00567 -0.00002 -0.00008 -0.00034 187 4XY 0.00001 0.00000 0.00016 -0.00009 -0.00017 188 4XZ 0.00001 0.00004 0.00020 0.00032 0.00037 189 4YZ -0.00001 -0.00001 -0.00020 0.00004 0.00013 6 7 8 9 10 O O O O O Eigenvalues -- -10.18643 -10.18641 -10.18037 -10.18019 -10.16936 1 1 C 1S -0.01176 0.01210 -0.00068 0.00056 0.70165 2 2S -0.00009 0.00020 -0.00022 0.00022 0.03484 3 2PX 0.00000 0.00013 0.00005 -0.00008 -0.00024 4 2PY 0.00015 -0.00006 0.00007 0.00004 0.00014 5 2PZ 0.00013 -0.00016 -0.00011 0.00007 -0.00002 6 3S -0.01074 0.00325 0.00052 -0.00042 -0.00762 7 3PX 0.00402 -0.00118 -0.00034 0.00050 0.00092 8 3PY 0.00107 0.00043 0.00003 -0.00006 -0.00067 9 3PZ -0.00431 0.00110 0.00032 -0.00030 -0.00042 10 4XX 0.00022 -0.00023 -0.00007 0.00004 -0.00671 11 4YY 0.00030 -0.00021 -0.00002 0.00003 -0.00676 12 4ZZ 0.00025 -0.00026 -0.00004 0.00003 -0.00665 13 4XY -0.00010 0.00013 -0.00007 0.00002 0.00000 14 4XZ -0.00004 0.00003 -0.00005 0.00004 -0.00011 15 4YZ 0.00009 -0.00009 0.00000 0.00005 -0.00001 16 2 C 1S 0.01177 0.01210 -0.00068 -0.00056 0.70195 17 2S 0.00009 0.00020 -0.00022 -0.00022 0.03486 18 2PX 0.00000 0.00013 0.00005 0.00008 -0.00024 19 2PY 0.00015 0.00006 -0.00007 0.00004 -0.00014 20 2PZ -0.00013 -0.00016 -0.00010 -0.00007 -0.00002 21 3S 0.01074 0.00325 0.00052 0.00042 -0.00763 22 3PX -0.00402 -0.00118 -0.00034 -0.00050 0.00092 23 3PY 0.00107 -0.00043 -0.00003 -0.00006 0.00067 24 3PZ 0.00431 0.00109 0.00032 0.00030 -0.00042 25 4XX -0.00022 -0.00023 -0.00007 -0.00004 -0.00672 26 4YY -0.00030 -0.00021 -0.00002 -0.00003 -0.00677 27 4ZZ -0.00025 -0.00026 -0.00004 -0.00003 -0.00665 28 4XY -0.00010 -0.00013 0.00007 0.00002 0.00000 29 4XZ 0.00004 0.00003 -0.00005 -0.00004 -0.00011 30 4YZ 0.00009 0.00009 0.00000 0.00005 0.00001 31 3 C 1S 0.70233 0.70179 -0.01397 -0.01383 -0.01235 32 2S 0.03650 0.03514 -0.00083 -0.00073 -0.00083 33 2PX -0.00031 -0.00011 0.00001 -0.00004 -0.00019 34 2PY 0.00052 0.00011 -0.00005 0.00002 -0.00009 35 2PZ 0.00005 -0.00001 -0.00012 0.00008 0.00010 36 3S -0.02208 -0.01253 0.00285 0.00391 0.00251 37 3PX -0.00038 0.00019 -0.00061 -0.00047 0.00092 38 3PY -0.00666 -0.00112 0.00038 0.00097 0.00061 39 3PZ -0.00040 -0.00005 0.00167 0.00178 -0.00083 40 4XX -0.00596 -0.00640 -0.00001 0.00007 -0.00002 41 4YY -0.00586 -0.00621 0.00008 0.00004 0.00009 42 4ZZ -0.00601 -0.00634 -0.00013 -0.00010 0.00000 43 4XY 0.00004 0.00010 0.00003 0.00007 -0.00003 44 4XZ -0.00004 -0.00016 0.00004 0.00002 0.00008 45 4YZ -0.00003 -0.00003 -0.00006 -0.00003 0.00001 46 4 C 1S 0.01368 0.01384 0.70137 0.70284 0.00037 47 2S 0.00034 0.00050 0.03527 0.03606 -0.00015 48 2PX -0.00010 -0.00004 -0.00001 -0.00002 -0.00010 49 2PY 0.00007 0.00001 -0.00003 0.00003 -0.00004 50 2PZ -0.00022 0.00005 -0.00014 -0.00020 0.00004 51 3S 0.00755 0.00277 -0.01067 -0.01974 0.00034 52 3PX 0.00213 0.00038 0.00002 0.00000 0.00037 53 3PY 0.00037 -0.00041 0.00121 -0.00268 -0.00002 54 3PZ -0.00303 -0.00127 0.00085 0.00192 -0.00019 55 4XX -0.00016 -0.00023 -0.00627 -0.00602 -0.00007 56 4YY -0.00021 -0.00025 -0.00663 -0.00598 -0.00005 57 4ZZ -0.00019 -0.00033 -0.00636 -0.00612 0.00000 58 4XY 0.00005 0.00003 0.00000 0.00000 -0.00001 59 4XZ 0.00007 0.00006 0.00003 0.00004 -0.00004 60 4YZ -0.00015 -0.00017 -0.00006 0.00005 0.00002 61 5 C 1S -0.01368 0.01384 0.70259 -0.70162 0.00037 62 2S -0.00034 0.00050 0.03533 -0.03600 -0.00015 63 2PX 0.00010 -0.00004 -0.00001 0.00002 -0.00010 64 2PY 0.00007 -0.00001 0.00003 0.00003 0.00004 65 2PZ 0.00022 0.00005 -0.00014 0.00020 0.00004 66 3S -0.00754 0.00278 -0.01070 0.01972 0.00034 67 3PX -0.00213 0.00038 0.00002 0.00000 0.00037 68 3PY 0.00037 0.00041 -0.00120 -0.00268 0.00002 69 3PZ 0.00303 -0.00128 0.00086 -0.00192 -0.00019 70 4XX 0.00016 -0.00023 -0.00628 0.00601 -0.00007 71 4YY 0.00021 -0.00025 -0.00664 0.00597 -0.00005 72 4ZZ 0.00019 -0.00033 -0.00637 0.00611 0.00000 73 4XY 0.00005 -0.00003 0.00000 0.00000 0.00001 74 4XZ -0.00007 0.00006 0.00003 -0.00004 -0.00004 75 4YZ -0.00015 0.00017 0.00006 0.00005 -0.00002 76 6 C 1S -0.70209 0.70203 -0.01400 0.01381 -0.01235 77 2S -0.03649 0.03515 -0.00083 0.00073 -0.00083 78 2PX 0.00031 -0.00011 0.00001 0.00004 -0.00019 79 2PY 0.00052 -0.00011 0.00005 0.00002 0.00009 80 2PZ -0.00005 -0.00001 -0.00012 -0.00008 0.00010 81 3S 0.02208 -0.01254 0.00286 -0.00391 0.00250 82 3PX 0.00038 0.00019 -0.00061 0.00047 0.00092 83 3PY -0.00666 0.00112 -0.00038 0.00097 -0.00061 84 3PZ 0.00040 -0.00005 0.00168 -0.00178 -0.00083 85 4XX 0.00596 -0.00641 -0.00001 -0.00007 -0.00002 86 4YY 0.00585 -0.00621 0.00008 -0.00004 0.00009 87 4ZZ 0.00601 -0.00634 -0.00013 0.00010 0.00000 88 4XY 0.00004 -0.00010 -0.00003 0.00007 0.00003 89 4XZ 0.00004 -0.00016 0.00004 -0.00002 0.00008 90 4YZ -0.00003 0.00003 0.00006 -0.00003 -0.00001 91 7 H 1S -0.00007 -0.00007 0.00001 -0.00001 -0.00031 92 2S -0.00114 0.00030 0.00026 -0.00024 0.00135 93 8 H 1S 0.00007 -0.00007 0.00001 0.00001 -0.00031 94 2S 0.00114 0.00030 0.00026 0.00024 0.00135 95 9 H 1S -0.00021 -0.00012 -0.00011 -0.00006 -0.00004 96 2S 0.00025 0.00169 -0.00002 -0.00006 0.00009 97 10 H 1S -0.00013 -0.00010 -0.00010 0.00031 0.00001 98 2S 0.00060 0.00010 0.00220 0.00212 0.00030 99 11 H 1S 0.00013 -0.00010 -0.00010 -0.00031 0.00001 100 2S -0.00060 0.00010 0.00220 -0.00211 0.00030 101 12 H 1S 0.00021 -0.00012 -0.00011 0.00006 -0.00004 102 2S -0.00025 0.00169 -0.00002 0.00006 0.00009 103 13 H 1S 0.00039 -0.00012 -0.00009 -0.00020 -0.00005 104 2S 0.00013 0.00014 0.00178 -0.00177 -0.00014 105 14 H 1S -0.00039 -0.00012 -0.00009 0.00020 -0.00005 106 2S -0.00013 0.00014 0.00177 0.00178 -0.00014 107 15 C 1S 0.00000 0.00002 0.00000 0.00000 -0.00001 108 2S 0.00000 0.00018 -0.00003 0.00000 -0.00008 109 2PX 0.00000 0.00011 -0.00002 0.00000 0.00000 110 2PY -0.00012 0.00000 0.00000 -0.00002 0.00000 111 2PZ 0.00000 0.00006 -0.00010 0.00000 0.00003 112 3S 0.00000 -0.00087 0.00104 0.00000 0.00030 113 3PX 0.00000 -0.00065 0.00041 0.00000 0.00000 114 3PY 0.00024 0.00000 0.00000 0.00026 0.00000 115 3PZ 0.00000 -0.00018 0.00032 0.00000 -0.00006 116 4XX 0.00000 0.00007 -0.00007 0.00000 -0.00002 117 4YY 0.00000 0.00001 0.00003 0.00000 0.00001 118 4ZZ 0.00000 0.00006 -0.00001 0.00000 -0.00004 119 4XY -0.00005 0.00000 0.00000 0.00003 0.00000 120 4XZ 0.00000 0.00003 -0.00001 0.00000 0.00000 121 4YZ -0.00004 0.00000 0.00000 -0.00002 0.00000 122 16 C 1S -0.00019 -0.00010 0.00002 -0.00002 0.00002 123 2S -0.00127 -0.00058 -0.00013 -0.00039 -0.00005 124 2PX -0.00020 -0.00010 -0.00004 -0.00004 -0.00015 125 2PY 0.00009 -0.00004 -0.00016 0.00001 0.00000 126 2PZ -0.00006 -0.00003 -0.00015 -0.00021 0.00000 127 3S 0.00924 0.00246 0.00024 0.00368 -0.00014 128 3PX 0.00091 0.00052 -0.00033 -0.00111 0.00080 129 3PY 0.00198 -0.00058 0.00049 0.00201 0.00015 130 3PZ 0.00317 0.00066 0.00080 0.00242 -0.00038 131 4XX -0.00005 -0.00003 -0.00012 -0.00011 -0.00014 132 4YY -0.00025 -0.00016 -0.00008 -0.00005 -0.00006 133 4ZZ -0.00024 -0.00016 -0.00008 -0.00012 -0.00013 134 4XY 0.00005 -0.00007 0.00002 0.00005 -0.00006 135 4XZ 0.00003 0.00007 -0.00005 -0.00009 0.00008 136 4YZ 0.00004 -0.00006 -0.00006 0.00004 0.00006 137 17 C 1S 0.00019 -0.00010 0.00002 0.00002 0.00002 138 2S 0.00127 -0.00058 -0.00013 0.00039 -0.00005 139 2PX 0.00020 -0.00010 -0.00004 0.00004 -0.00014 140 2PY 0.00009 0.00004 0.00016 0.00001 0.00000 141 2PZ 0.00006 -0.00003 -0.00015 0.00021 0.00000 142 3S -0.00924 0.00246 0.00024 -0.00368 -0.00014 143 3PX -0.00091 0.00052 -0.00034 0.00111 0.00080 144 3PY 0.00198 0.00058 -0.00049 0.00201 -0.00015 145 3PZ -0.00317 0.00066 0.00081 -0.00242 -0.00038 146 4XX 0.00005 -0.00003 -0.00012 0.00011 -0.00014 147 4YY 0.00025 -0.00016 -0.00008 0.00005 -0.00006 148 4ZZ 0.00024 -0.00016 -0.00008 0.00012 -0.00013 149 4XY 0.00005 0.00007 -0.00002 0.00005 0.00006 150 4XZ -0.00003 0.00007 -0.00005 0.00009 0.00008 151 4YZ 0.00004 0.00006 0.00006 0.00004 -0.00006 152 18 H 1S 0.00000 0.00009 -0.00004 0.00000 0.00001 153 2S 0.00000 0.00032 -0.00076 0.00000 -0.00006 154 19 H 1S -0.00022 -0.00014 0.00008 0.00014 -0.00011 155 2S 0.00039 -0.00028 0.00057 0.00118 -0.00007 156 20 H 1S 0.00022 -0.00014 0.00008 -0.00014 -0.00011 157 2S -0.00039 -0.00028 0.00058 -0.00118 -0.00007 158 21 H 1S 0.00000 -0.00002 -0.00002 0.00000 -0.00001 159 2S 0.00000 -0.00026 0.00013 0.00000 -0.00005 160 22 O 1S -0.00010 0.00003 0.00006 -0.00003 -0.00004 161 2S -0.00051 0.00014 0.00028 -0.00016 -0.00019 162 2PX -0.00007 0.00004 0.00001 0.00002 0.00000 163 2PY 0.00003 0.00000 -0.00002 -0.00003 0.00001 164 2PZ -0.00002 -0.00002 0.00002 0.00001 0.00003 165 3S 0.00308 -0.00074 -0.00149 0.00146 0.00102 166 3PX 0.00130 -0.00048 -0.00023 0.00053 0.00029 167 3PY -0.00048 -0.00009 0.00044 -0.00020 -0.00015 168 3PZ -0.00022 0.00026 -0.00015 -0.00022 -0.00032 169 4XX -0.00012 0.00002 0.00016 0.00001 -0.00008 170 4YY -0.00031 0.00010 0.00011 -0.00007 -0.00011 171 4ZZ -0.00036 0.00013 0.00019 -0.00006 -0.00009 172 4XY -0.00006 0.00001 0.00004 -0.00004 -0.00004 173 4XZ -0.00002 0.00002 0.00000 0.00002 -0.00005 174 4YZ 0.00000 0.00001 0.00001 0.00004 0.00004 175 23 O 1S 0.00010 0.00003 0.00006 0.00003 -0.00004 176 2S 0.00051 0.00014 0.00028 0.00016 -0.00019 177 2PX 0.00007 0.00004 0.00001 -0.00002 0.00000 178 2PY 0.00003 0.00000 0.00002 -0.00003 -0.00001 179 2PZ 0.00002 -0.00002 0.00002 -0.00001 0.00003 180 3S -0.00308 -0.00074 -0.00149 -0.00146 0.00102 181 3PX -0.00130 -0.00048 -0.00023 -0.00053 0.00029 182 3PY -0.00048 0.00009 -0.00044 -0.00020 0.00015 183 3PZ 0.00022 0.00026 -0.00015 0.00022 -0.00032 184 4XX 0.00012 0.00002 0.00016 -0.00001 -0.00008 185 4YY 0.00031 0.00010 0.00011 0.00007 -0.00011 186 4ZZ 0.00036 0.00013 0.00019 0.00006 -0.00009 187 4XY -0.00006 -0.00001 -0.00004 -0.00004 0.00004 188 4XZ 0.00002 0.00002 0.00000 -0.00002 -0.00005 189 4YZ 0.00000 -0.00001 -0.00001 0.00004 -0.00004 11 12 13 14 15 O O O O O Eigenvalues -- -10.16886 -1.10717 -1.01319 -0.82908 -0.76591 1 1 C 1S 0.70224 -0.00034 -0.00002 -0.09538 0.01854 2 2S 0.03559 0.00232 -0.00271 0.18221 -0.03476 3 2PX -0.00026 -0.00108 0.00075 -0.03994 0.00118 4 2PY -0.00029 -0.00042 -0.00050 -0.02998 0.00676 5 2PZ 0.00005 0.00015 -0.00009 0.03308 -0.00784 6 3S -0.01698 -0.00444 0.02195 0.11188 -0.03009 7 3PX 0.00240 0.00291 -0.00854 -0.00063 0.00202 8 3PY 0.00338 0.00016 -0.01026 -0.00183 0.00013 9 3PZ -0.00172 -0.00115 0.00564 -0.00174 -0.00222 10 4XX -0.00646 0.00025 -0.00018 -0.00440 0.00179 11 4YY -0.00611 0.00030 -0.00009 0.00298 -0.00056 12 4ZZ -0.00637 0.00041 -0.00045 -0.00337 0.00066 13 4XY -0.00012 0.00008 0.00026 -0.00028 0.00023 14 4XZ -0.00014 0.00007 -0.00015 -0.00711 0.00167 15 4YZ 0.00004 -0.00005 -0.00006 -0.00046 0.00014 16 2 C 1S -0.70194 -0.00034 0.00002 -0.09538 0.01854 17 2S -0.03557 0.00232 0.00271 0.18221 -0.03476 18 2PX 0.00026 -0.00108 -0.00075 -0.03994 0.00118 19 2PY -0.00029 0.00042 -0.00050 0.02998 -0.00676 20 2PZ -0.00005 0.00015 0.00009 0.03308 -0.00784 21 3S 0.01698 -0.00444 -0.02195 0.11188 -0.03009 22 3PX -0.00240 0.00291 0.00854 -0.00063 0.00202 23 3PY 0.00338 -0.00016 -0.01026 0.00183 -0.00013 24 3PZ 0.00172 -0.00115 -0.00564 -0.00174 -0.00222 25 4XX 0.00646 0.00025 0.00018 -0.00440 0.00179 26 4YY 0.00611 0.00030 0.00009 0.00298 -0.00056 27 4ZZ 0.00637 0.00041 0.00045 -0.00337 0.00066 28 4XY -0.00012 -0.00008 0.00026 0.00028 -0.00023 29 4XZ 0.00014 0.00007 0.00015 -0.00711 0.00167 30 4YZ 0.00004 0.00005 -0.00006 0.00046 -0.00014 31 3 C 1S 0.01205 -0.00188 -0.00246 -0.09139 0.01322 32 2S 0.00074 0.00225 0.00017 0.17062 -0.02627 33 2PX 0.00009 -0.00154 -0.00109 0.02432 -0.01434 34 2PY 0.00010 0.00063 -0.00058 0.04654 -0.00801 35 2PZ -0.00002 -0.00023 -0.00070 0.00318 -0.01050 36 3S -0.00446 0.00685 0.02164 0.13186 -0.01330 37 3PX -0.00093 -0.00007 -0.00423 0.00049 -0.00160 38 3PY -0.00161 0.00219 0.01160 0.01393 0.00134 39 3PZ 0.00061 -0.00034 0.00365 0.00078 -0.00606 40 4XX 0.00009 0.00010 -0.00015 -0.00551 0.00153 41 4YY 0.00006 -0.00028 -0.00082 0.00086 -0.00027 42 4ZZ 0.00002 -0.00022 -0.00068 -0.00068 -0.00068 43 4XY 0.00005 -0.00001 -0.00005 0.00343 -0.00112 44 4XZ -0.00016 -0.00007 -0.00012 -0.00599 0.00192 45 4YZ -0.00006 -0.00001 0.00009 0.00074 -0.00092 46 4 C 1S -0.00026 -0.00166 -0.00115 -0.08158 0.02465 47 2S 0.00014 0.00239 0.00198 0.15286 -0.04710 48 2PX 0.00007 -0.00108 -0.00111 0.01409 -0.00546 49 2PY -0.00003 -0.00017 -0.00083 0.01819 -0.00662 50 2PZ -0.00009 -0.00087 -0.00018 -0.03441 0.00014 51 3S 0.00017 -0.00019 -0.00794 0.11365 -0.03488 52 3PX -0.00035 -0.00161 -0.00280 0.00242 -0.00123 53 3PY -0.00006 0.00162 0.00171 0.00282 -0.00327 54 3PZ 0.00004 -0.00105 0.00241 -0.00208 0.00027 55 4XX 0.00005 0.00007 0.00018 -0.00223 0.00040 56 4YY 0.00004 -0.00016 -0.00028 0.00150 -0.00058 57 4ZZ 0.00001 -0.00021 -0.00035 0.00107 0.00072 58 4XY -0.00004 0.00001 0.00000 -0.00006 -0.00006 59 4XZ 0.00002 0.00030 0.00037 -0.00194 0.00065 60 4YZ 0.00001 0.00008 0.00004 0.00015 0.00012 61 5 C 1S 0.00026 -0.00166 0.00115 -0.08158 0.02465 62 2S -0.00014 0.00239 -0.00198 0.15286 -0.04710 63 2PX -0.00007 -0.00108 0.00111 0.01409 -0.00546 64 2PY -0.00003 0.00017 -0.00083 -0.01819 0.00662 65 2PZ 0.00009 -0.00087 0.00018 -0.03441 0.00014 66 3S -0.00017 -0.00019 0.00794 0.11365 -0.03488 67 3PX 0.00035 -0.00161 0.00280 0.00242 -0.00123 68 3PY -0.00006 -0.00162 0.00171 -0.00282 0.00327 69 3PZ -0.00004 -0.00105 -0.00241 -0.00208 0.00027 70 4XX -0.00005 0.00007 -0.00018 -0.00223 0.00040 71 4YY -0.00004 -0.00016 0.00028 0.00150 -0.00058 72 4ZZ -0.00001 -0.00021 0.00035 0.00107 0.00072 73 4XY -0.00004 -0.00001 0.00000 0.00006 0.00006 74 4XZ -0.00002 0.00030 -0.00037 -0.00194 0.00065 75 4YZ 0.00001 -0.00008 0.00004 -0.00015 -0.00012 76 6 C 1S -0.01205 -0.00188 0.00246 -0.09140 0.01322 77 2S -0.00074 0.00225 -0.00017 0.17063 -0.02627 78 2PX -0.00009 -0.00154 0.00109 0.02432 -0.01434 79 2PY 0.00010 -0.00063 -0.00058 -0.04654 0.00801 80 2PZ 0.00002 -0.00023 0.00070 0.00317 -0.01050 81 3S 0.00446 0.00685 -0.02164 0.13187 -0.01330 82 3PX 0.00093 -0.00007 0.00423 0.00049 -0.00160 83 3PY -0.00162 -0.00219 0.01160 -0.01393 -0.00134 84 3PZ -0.00061 -0.00034 -0.00365 0.00078 -0.00606 85 4XX -0.00009 0.00010 0.00015 -0.00551 0.00153 86 4YY -0.00006 -0.00028 0.00082 0.00086 -0.00027 87 4ZZ -0.00002 -0.00022 0.00068 -0.00068 -0.00068 88 4XY 0.00005 0.00001 -0.00005 -0.00343 0.00112 89 4XZ 0.00016 -0.00007 0.00012 -0.00599 0.00192 90 4YZ -0.00006 0.00001 0.00009 -0.00074 0.00092 91 7 H 1S -0.00025 0.00012 0.00004 0.03708 -0.00830 92 2S 0.00075 -0.00043 0.00320 0.00181 -0.00145 93 8 H 1S 0.00025 0.00012 -0.00004 0.03708 -0.00830 94 2S -0.00075 -0.00043 -0.00320 0.00181 -0.00145 95 9 H 1S -0.00001 0.00044 0.00093 0.03736 -0.00455 96 2S -0.00012 0.00104 0.00364 0.00635 0.00024 97 10 H 1S -0.00002 0.00209 0.00254 0.03706 -0.01329 98 2S -0.00032 0.00186 0.00187 0.00200 -0.00618 99 11 H 1S 0.00002 0.00209 -0.00254 0.03706 -0.01329 100 2S 0.00032 0.00186 -0.00187 0.00200 -0.00618 101 12 H 1S 0.00001 0.00044 -0.00093 0.03736 -0.00455 102 2S 0.00012 0.00104 -0.00364 0.00635 0.00024 103 13 H 1S -0.00005 0.00050 -0.00061 0.03921 -0.01538 104 2S -0.00007 0.00121 -0.00136 0.00320 -0.00367 105 14 H 1S 0.00005 0.00050 0.00061 0.03921 -0.01538 106 2S 0.00007 0.00121 0.00136 0.00321 -0.00367 107 15 C 1S 0.00000 -0.08320 0.00000 0.01835 0.11738 108 2S 0.00000 0.16015 0.00000 -0.03864 -0.24499 109 2PX 0.00000 0.06129 0.00000 -0.00171 0.01012 110 2PY -0.00002 0.00000 -0.12748 0.00000 0.00000 111 2PZ 0.00000 -0.05992 0.00000 0.00672 -0.00418 112 3S 0.00000 0.02856 0.00000 -0.02225 -0.17824 113 3PX 0.00000 -0.00866 0.00000 0.00494 0.00892 114 3PY 0.00011 0.00000 -0.00620 0.00000 0.00000 115 3PZ 0.00000 0.01226 0.00000 -0.00136 -0.00931 116 4XX 0.00000 -0.00116 0.00000 0.00107 0.00503 117 4YY 0.00000 0.00726 0.00000 -0.00129 -0.00324 118 4ZZ 0.00000 -0.00224 0.00000 0.00059 0.00459 119 4XY 0.00000 0.00000 -0.01755 0.00000 0.00000 120 4XZ 0.00000 -0.00959 0.00000 0.00019 -0.00357 121 4YZ -0.00001 0.00000 0.01777 0.00000 0.00000 122 16 C 1S -0.00001 -0.05621 -0.04408 -0.02571 -0.12240 123 2S -0.00003 0.10426 0.08664 0.05207 0.24580 124 2PX 0.00007 -0.05979 -0.06053 0.01488 -0.02205 125 2PY -0.00003 0.00911 -0.04361 0.01419 0.06650 126 2PZ -0.00003 0.04382 0.04454 0.00150 -0.00992 127 3S 0.00084 0.03495 -0.00910 0.03217 0.17211 128 3PX -0.00159 0.00366 0.01821 0.00320 0.00226 129 3PY 0.00011 -0.00021 -0.01692 0.00195 0.01028 130 3PZ 0.00139 -0.00408 -0.02569 -0.00107 -0.00590 131 4XX 0.00012 0.00382 0.00644 -0.00140 -0.00970 132 4YY 0.00005 -0.00147 -0.00861 0.00137 0.00604 133 4ZZ 0.00006 -0.00073 0.00180 -0.00082 -0.00696 134 4XY -0.00002 0.00226 0.00613 0.00011 0.00065 135 4XZ -0.00007 -0.01131 -0.01155 0.00055 -0.00474 136 4YZ -0.00005 -0.00084 -0.00358 0.00100 0.00231 137 17 C 1S 0.00001 -0.05621 0.04408 -0.02571 -0.12240 138 2S 0.00003 0.10426 -0.08664 0.05207 0.24580 139 2PX -0.00007 -0.05979 0.06053 0.01488 -0.02205 140 2PY -0.00003 -0.00911 -0.04361 -0.01419 -0.06650 141 2PZ 0.00003 0.04382 -0.04455 0.00150 -0.00992 142 3S -0.00084 0.03495 0.00910 0.03217 0.17211 143 3PX 0.00159 0.00366 -0.01821 0.00320 0.00226 144 3PY 0.00011 0.00021 -0.01692 -0.00195 -0.01028 145 3PZ -0.00139 -0.00408 0.02569 -0.00107 -0.00590 146 4XX -0.00012 0.00382 -0.00644 -0.00140 -0.00970 147 4YY -0.00005 -0.00147 0.00861 0.00137 0.00604 148 4ZZ -0.00006 -0.00073 -0.00180 -0.00082 -0.00696 149 4XY -0.00002 -0.00226 0.00613 -0.00011 -0.00065 150 4XZ 0.00007 -0.01131 0.01155 0.00055 -0.00474 151 4YZ -0.00005 0.00084 -0.00358 -0.00100 -0.00231 152 18 H 1S 0.00000 0.02534 0.00000 -0.00825 -0.07517 153 2S 0.00000 -0.00229 0.00000 0.00196 -0.01513 154 19 H 1S 0.00023 0.01251 0.01447 0.01509 0.06813 155 2S 0.00031 -0.00346 -0.00847 0.00255 0.01258 156 20 H 1S -0.00023 0.01251 -0.01447 0.01509 0.06813 157 2S -0.00031 -0.00346 0.00847 0.00255 0.01258 158 21 H 1S 0.00000 0.02455 0.00000 -0.01042 -0.07732 159 2S 0.00000 0.00138 0.00000 0.00001 -0.01628 160 22 O 1S -0.00006 -0.13125 0.15242 0.00883 0.01419 161 2S -0.00030 0.28412 -0.33479 -0.02049 -0.03360 162 2PX -0.00002 0.02241 -0.03039 0.02009 0.12267 163 2PY 0.00000 -0.08689 0.06083 0.00854 0.03560 164 2PZ 0.00003 -0.00834 0.01426 -0.01174 -0.10843 165 3S 0.00183 0.28833 -0.35799 -0.02274 -0.03739 166 3PX 0.00052 0.00923 -0.02341 0.00987 0.05543 167 3PY -0.00020 -0.05298 0.03672 0.00479 0.01554 168 3PZ -0.00040 -0.00214 0.01099 -0.00502 -0.04936 169 4XX -0.00012 -0.00171 0.00000 0.00129 0.00396 170 4YY -0.00019 0.00722 0.00050 -0.00136 -0.00583 171 4ZZ -0.00016 -0.00460 0.00387 0.00018 0.00101 172 4XY -0.00004 -0.00045 0.00198 -0.00195 -0.01122 173 4XZ -0.00005 -0.00716 0.00771 -0.00022 -0.00388 174 4YZ 0.00003 -0.00191 0.00021 0.00132 0.01023 175 23 O 1S 0.00006 -0.13125 -0.15242 0.00883 0.01419 176 2S 0.00030 0.28412 0.33479 -0.02049 -0.03359 177 2PX 0.00002 0.02241 0.03039 0.02009 0.12267 178 2PY 0.00000 0.08689 0.06083 -0.00854 -0.03560 179 2PZ -0.00003 -0.00834 -0.01426 -0.01174 -0.10843 180 3S -0.00183 0.28833 0.35799 -0.02274 -0.03739 181 3PX -0.00052 0.00923 0.02341 0.00987 0.05543 182 3PY -0.00020 0.05298 0.03672 -0.00479 -0.01554 183 3PZ 0.00040 -0.00214 -0.01099 -0.00502 -0.04936 184 4XX 0.00012 -0.00171 0.00000 0.00129 0.00396 185 4YY 0.00019 0.00722 -0.00050 -0.00136 -0.00583 186 4ZZ 0.00016 -0.00460 -0.00387 0.00018 0.00101 187 4XY -0.00004 0.00045 0.00198 0.00195 0.01122 188 4XZ 0.00005 -0.00716 -0.00771 -0.00022 -0.00388 189 4YZ 0.00003 0.00191 0.00021 -0.00132 -0.01023 16 17 18 19 20 O O O O O Eigenvalues -- -0.73369 -0.72868 -0.64376 -0.61453 -0.60399 1 1 C 1S 0.10571 0.06442 0.01274 0.00727 -0.08066 2 2S -0.20538 -0.12809 -0.02553 -0.01529 0.16378 3 2PX 0.00705 0.04458 -0.01059 0.00457 -0.02124 4 2PY 0.05185 -0.07806 0.00820 -0.00962 0.10415 5 2PZ 0.01101 -0.03743 -0.00022 0.00673 -0.00048 6 3S -0.15235 -0.07288 -0.02503 -0.00478 0.12773 7 3PX -0.00249 -0.00658 -0.00269 -0.00316 0.00806 8 3PY 0.00493 -0.02229 0.00068 -0.00246 0.03748 9 3PZ 0.00882 0.01008 -0.00274 0.00497 -0.01708 10 4XX 0.00670 -0.00004 0.00186 -0.00029 -0.00146 11 4YY -0.00490 0.00641 -0.00089 0.00069 -0.00748 12 4ZZ 0.00601 -0.00096 0.00004 0.00053 -0.00057 13 4XY -0.00085 0.00408 0.00012 0.00033 -0.00109 14 4XZ 0.00472 0.00713 0.00107 0.00002 -0.00613 15 4YZ 0.00176 -0.00269 0.00031 0.00080 -0.00192 16 2 C 1S 0.10571 -0.06442 0.01274 -0.00727 0.08066 17 2S -0.20538 0.12809 -0.02553 0.01529 -0.16378 18 2PX 0.00705 -0.04458 -0.01059 -0.00457 0.02124 19 2PY -0.05186 -0.07807 -0.00820 -0.00961 0.10415 20 2PZ 0.01101 0.03742 -0.00022 -0.00673 0.00048 21 3S -0.15235 0.07288 -0.02503 0.00478 -0.12773 22 3PX -0.00249 0.00658 -0.00269 0.00316 -0.00806 23 3PY -0.00493 -0.02229 -0.00068 -0.00246 0.03748 24 3PZ 0.00882 -0.01008 -0.00274 -0.00497 0.01708 25 4XX 0.00670 0.00004 0.00186 0.00029 0.00146 26 4YY -0.00490 -0.00641 -0.00089 -0.00069 0.00748 27 4ZZ 0.00601 0.00096 0.00004 -0.00053 0.00057 28 4XY 0.00085 0.00408 -0.00012 0.00033 -0.00109 29 4XZ 0.00472 -0.00713 0.00107 -0.00002 0.00613 30 4YZ -0.00176 -0.00269 -0.00031 0.00080 -0.00192 31 3 C 1S 0.00744 -0.12444 -0.00049 0.00482 0.02264 32 2S -0.01413 0.24080 0.00018 -0.01121 -0.04690 33 2PX -0.05829 0.02710 -0.01392 -0.00123 -0.09493 34 2PY -0.01149 0.00554 0.00032 -0.00307 -0.00529 35 2PZ 0.09022 0.00672 -0.00711 -0.04278 0.13781 36 3S -0.01427 0.21043 0.00800 -0.00042 -0.04357 37 3PX -0.00996 0.00285 0.00010 -0.00202 -0.02376 38 3PY -0.00626 0.00250 0.00511 0.00313 0.00098 39 3PZ 0.01542 -0.00010 -0.00379 -0.01691 0.03504 40 4XX -0.00218 -0.00700 -0.00029 0.00204 -0.00229 41 4YY -0.00061 -0.00073 0.00012 -0.00009 -0.00081 42 4ZZ 0.00531 -0.00138 -0.00010 -0.00213 0.00682 43 4XY -0.00503 0.00333 -0.00124 0.00048 -0.00396 44 4XZ 0.00163 -0.00666 0.00099 0.00147 0.00267 45 4YZ 0.00739 0.00133 -0.00059 -0.00148 0.00523 46 4 C 1S -0.11131 -0.06711 0.00649 0.03432 -0.09318 47 2S 0.21419 0.13009 -0.01233 -0.06893 0.18931 48 2PX -0.00844 0.01551 -0.00762 -0.00345 -0.01269 49 2PY 0.03641 -0.06529 -0.00104 0.03476 -0.09508 50 2PZ 0.01722 -0.04148 -0.00619 -0.00550 0.02002 51 3S 0.18757 0.10778 -0.01227 -0.06570 0.17956 52 3PX -0.00519 0.00524 -0.00451 0.00040 -0.00931 53 3PY 0.00547 -0.01783 0.00001 0.00860 -0.03889 54 3PZ 0.00638 -0.00270 -0.00014 -0.00279 0.01636 55 4XX -0.00074 0.00076 0.00011 -0.00151 0.00477 56 4YY 0.00374 -0.00741 -0.00015 0.00368 -0.01016 57 4ZZ -0.00473 0.00513 0.00047 -0.00010 -0.00048 58 4XY 0.00066 -0.00119 -0.00021 0.00017 0.00150 59 4XZ 0.00196 -0.00236 0.00017 -0.00002 0.00246 60 4YZ -0.00143 0.00345 -0.00009 0.00087 -0.00254 61 5 C 1S -0.11131 0.06711 0.00649 -0.03432 0.09318 62 2S 0.21419 -0.13009 -0.01233 0.06893 -0.18931 63 2PX -0.00844 -0.01551 -0.00762 0.00345 0.01269 64 2PY -0.03641 -0.06529 0.00104 0.03476 -0.09507 65 2PZ 0.01722 0.04147 -0.00619 0.00550 -0.02002 66 3S 0.18757 -0.10778 -0.01227 0.06570 -0.17956 67 3PX -0.00519 -0.00524 -0.00451 -0.00040 0.00931 68 3PY -0.00547 -0.01783 -0.00001 0.00860 -0.03889 69 3PZ 0.00638 0.00269 -0.00014 0.00279 -0.01636 70 4XX -0.00074 -0.00076 0.00011 0.00151 -0.00477 71 4YY 0.00374 0.00741 -0.00015 -0.00368 0.01016 72 4ZZ -0.00473 -0.00513 0.00047 0.00010 0.00048 73 4XY -0.00066 -0.00119 0.00021 0.00017 0.00150 74 4XZ 0.00196 0.00236 0.00017 0.00002 -0.00246 75 4YZ 0.00143 0.00345 0.00009 0.00087 -0.00254 76 6 C 1S 0.00744 0.12444 -0.00049 -0.00482 -0.02264 77 2S -0.01413 -0.24080 0.00018 0.01121 0.04691 78 2PX -0.05829 -0.02710 -0.01392 0.00123 0.09493 79 2PY 0.01149 0.00554 -0.00032 -0.00307 -0.00528 80 2PZ 0.09022 -0.00672 -0.00711 0.04278 -0.13781 81 3S -0.01427 -0.21043 0.00800 0.00042 0.04358 82 3PX -0.00996 -0.00285 0.00010 0.00202 0.02376 83 3PY 0.00626 0.00250 -0.00511 0.00313 0.00098 84 3PZ 0.01542 0.00011 -0.00379 0.01691 -0.03504 85 4XX -0.00218 0.00700 -0.00029 -0.00204 0.00229 86 4YY -0.00061 0.00073 0.00012 0.00009 0.00081 87 4ZZ 0.00531 0.00138 -0.00010 0.00213 -0.00682 88 4XY 0.00503 0.00333 0.00124 0.00048 -0.00396 89 4XZ 0.00163 0.00666 0.00099 -0.00147 -0.00267 90 4YZ -0.00739 0.00133 0.00059 -0.00148 0.00523 91 7 H 1S -0.06122 -0.03836 -0.01005 -0.00875 0.08124 92 2S -0.01269 -0.00262 -0.00389 -0.00344 0.02734 93 8 H 1S -0.06122 0.03837 -0.01005 0.00875 -0.08124 94 2S -0.01269 0.00262 -0.00389 0.00344 -0.02734 95 9 H 1S -0.00149 0.07839 0.00120 -0.00007 -0.01615 96 2S -0.00162 0.01907 0.00015 0.00330 -0.00473 97 10 H 1S 0.07058 0.04275 -0.00106 -0.03078 0.09334 98 2S 0.01290 0.00873 -0.00181 -0.01474 0.03179 99 11 H 1S 0.07058 -0.04275 -0.00106 0.03078 -0.09334 100 2S 0.01290 -0.00873 -0.00181 0.01474 -0.03179 101 12 H 1S -0.00149 -0.07839 0.00120 0.00007 0.01615 102 2S -0.00162 -0.01907 0.00015 -0.00330 0.00473 103 13 H 1S 0.06842 -0.04374 -0.00807 0.03305 -0.08668 104 2S 0.01612 -0.00723 -0.00284 0.01301 -0.03160 105 14 H 1S 0.06842 0.04374 -0.00807 -0.03305 0.08667 106 2S 0.01612 0.00723 -0.00284 -0.01301 0.03160 107 15 C 1S 0.00912 0.00000 -0.12225 0.00000 0.00000 108 2S -0.01980 0.00000 0.25807 0.00000 0.00000 109 2PX 0.00441 0.00000 -0.06482 0.00000 0.00000 110 2PY 0.00000 0.01881 0.00000 0.21591 0.06311 111 2PZ 0.00607 0.00000 0.06777 0.00000 0.00000 112 3S -0.01502 0.00000 0.24382 0.00000 0.00000 113 3PX 0.00669 0.00000 -0.02133 0.00000 0.00000 114 3PY 0.00000 0.00189 0.00000 0.05678 0.01520 115 3PZ -0.00182 0.00000 0.02827 0.00000 0.00000 116 4XX 0.00069 0.00000 0.00236 0.00000 0.00000 117 4YY -0.00042 0.00000 -0.01362 0.00000 0.00000 118 4ZZ 0.00029 0.00000 0.00146 0.00000 0.00000 119 4XY 0.00000 0.00129 0.00000 0.01288 0.00323 120 4XZ 0.00007 0.00000 0.00553 0.00000 0.00000 121 4YZ 0.00000 -0.00186 0.00000 -0.01405 -0.00447 122 16 C 1S -0.00474 -0.01207 -0.07241 -0.09541 -0.02250 123 2S 0.00927 0.02323 0.14730 0.19677 0.04500 124 2PX -0.00302 0.01226 0.08530 -0.03100 -0.01197 125 2PY 0.00304 -0.01516 0.15594 -0.13079 -0.03061 126 2PZ 0.00727 0.00044 -0.08061 -0.01988 0.00234 127 3S 0.00866 0.02695 0.12860 0.18873 0.05484 128 3PX -0.00050 0.00446 0.02247 0.00190 -0.00808 129 3PY -0.00014 0.00038 0.02897 -0.02718 -0.00269 130 3PZ 0.00264 0.00237 -0.01968 -0.01219 0.00727 131 4XX -0.00120 -0.00037 -0.01419 -0.00289 -0.00136 132 4YY 0.00015 -0.00102 0.00714 -0.00733 -0.00180 133 4ZZ 0.00048 -0.00010 -0.00463 0.00003 0.00050 134 4XY 0.00019 -0.00103 -0.00809 0.00478 0.00178 135 4XZ 0.00033 0.00044 0.00622 -0.00762 -0.00190 136 4YZ 0.00006 0.00039 0.00772 0.00423 0.00014 137 17 C 1S -0.00474 0.01207 -0.07241 0.09541 0.02250 138 2S 0.00927 -0.02323 0.14730 -0.19677 -0.04500 139 2PX -0.00303 -0.01226 0.08531 0.03100 0.01197 140 2PY -0.00304 -0.01516 -0.15594 -0.13079 -0.03061 141 2PZ 0.00727 -0.00044 -0.08061 0.01987 -0.00234 142 3S 0.00866 -0.02695 0.12860 -0.18873 -0.05485 143 3PX -0.00050 -0.00446 0.02247 -0.00190 0.00808 144 3PY 0.00014 0.00038 -0.02897 -0.02718 -0.00268 145 3PZ 0.00264 -0.00237 -0.01968 0.01219 -0.00727 146 4XX -0.00120 0.00037 -0.01419 0.00289 0.00136 147 4YY 0.00015 0.00102 0.00714 0.00733 0.00180 148 4ZZ 0.00048 0.00010 -0.00463 -0.00003 -0.00050 149 4XY -0.00019 -0.00103 0.00809 0.00478 0.00178 150 4XZ 0.00033 -0.00044 0.00622 0.00762 0.00190 151 4YZ -0.00006 0.00039 -0.00772 0.00423 0.00014 152 18 H 1S -0.00191 0.00000 0.11587 0.00000 0.00000 153 2S 0.00654 0.00000 0.03556 0.00000 0.00000 154 19 H 1S -0.00059 0.01420 0.05360 0.11567 0.02284 155 2S -0.00151 0.00614 0.01636 0.04773 0.01076 156 20 H 1S -0.00059 -0.01420 0.05360 -0.11567 -0.02284 157 2S -0.00151 -0.00614 0.01636 -0.04773 -0.01076 158 21 H 1S -0.00771 0.00000 0.11585 0.00000 0.00000 159 2S 0.00021 0.00000 0.03819 0.00000 0.00000 160 22 O 1S 0.00235 -0.00715 0.07106 -0.02548 -0.00812 161 2S -0.00547 0.01658 -0.16574 0.05880 0.01850 162 2PX 0.01378 -0.01549 -0.07317 -0.18530 -0.05829 163 2PY 0.00428 -0.00677 -0.08876 -0.05655 -0.01760 164 2PZ -0.00317 0.00676 0.06652 0.16880 0.04083 165 3S -0.00823 0.02076 -0.22092 0.08044 0.03084 166 3PX 0.00676 -0.00714 -0.02850 -0.08560 -0.02718 167 3PY 0.00336 -0.00377 -0.04835 -0.02425 -0.00915 168 3PZ -0.00012 0.00252 0.02632 0.07956 0.01597 169 4XX 0.00056 -0.00102 -0.00023 -0.00599 -0.00168 170 4YY -0.00086 0.00046 0.01009 0.00336 0.00115 171 4ZZ 0.00012 -0.00029 0.00085 -0.00284 -0.00068 172 4XY -0.00114 0.00052 0.00146 0.00716 0.00216 173 4XZ 0.00032 0.00003 -0.00109 0.00506 0.00057 174 4YZ 0.00038 -0.00035 -0.00257 -0.00696 -0.00167 175 23 O 1S 0.00235 0.00715 0.07106 0.02548 0.00812 176 2S -0.00547 -0.01658 -0.16574 -0.05880 -0.01850 177 2PX 0.01378 0.01549 -0.07317 0.18530 0.05829 178 2PY -0.00428 -0.00677 0.08875 -0.05654 -0.01760 179 2PZ -0.00317 -0.00676 0.06652 -0.16880 -0.04083 180 3S -0.00823 -0.02076 -0.22092 -0.08044 -0.03084 181 3PX 0.00676 0.00714 -0.02850 0.08560 0.02718 182 3PY -0.00336 -0.00377 0.04835 -0.02425 -0.00915 183 3PZ -0.00012 -0.00252 0.02632 -0.07956 -0.01597 184 4XX 0.00056 0.00102 -0.00023 0.00599 0.00168 185 4YY -0.00086 -0.00046 0.01009 -0.00336 -0.00115 186 4ZZ 0.00012 0.00029 0.00085 0.00284 0.00068 187 4XY 0.00114 0.00052 -0.00146 0.00716 0.00216 188 4XZ 0.00032 -0.00003 -0.00109 -0.00506 -0.00057 189 4YZ -0.00038 -0.00035 0.00257 -0.00696 -0.00167 21 22 23 24 25 O O O O O Eigenvalues -- -0.58468 -0.53237 -0.51154 -0.49418 -0.47019 1 1 C 1S 0.05700 0.00370 -0.00457 0.00525 -0.06954 2 2S -0.11519 -0.00603 0.00980 -0.00987 0.14349 3 2PX -0.08939 -0.01931 0.02768 -0.11646 0.06288 4 2PY 0.13461 0.00267 0.00743 -0.12253 0.08211 5 2PZ 0.08849 0.03279 -0.05975 0.14405 -0.07087 6 3S -0.10505 -0.01671 0.01737 -0.01927 0.15380 7 3PX -0.02722 -0.00291 0.00619 -0.03702 0.02733 8 3PY 0.02907 -0.00142 0.00400 -0.03502 0.03358 9 3PZ 0.02889 0.00949 -0.01936 0.04669 -0.03176 10 4XX 0.00703 0.00040 0.00076 0.00090 -0.00320 11 4YY -0.00385 -0.00038 0.00100 -0.00204 -0.00904 12 4ZZ 0.00294 0.00007 -0.00049 -0.00341 0.00280 13 4XY -0.00455 -0.00015 0.00020 0.00210 0.00786 14 4XZ -0.00046 -0.00055 0.00003 0.00131 -0.00555 15 4YZ 0.00466 0.00026 -0.00027 -0.00046 -0.00926 16 2 C 1S 0.05700 0.00370 -0.00457 0.00524 0.06954 17 2S -0.11519 -0.00604 0.00981 -0.00986 -0.14349 18 2PX -0.08938 -0.01931 0.02768 -0.11646 -0.06288 19 2PY -0.13462 -0.00267 -0.00743 0.12253 0.08211 20 2PZ 0.08849 0.03279 -0.05975 0.14405 0.07087 21 3S -0.10505 -0.01671 0.01738 -0.01926 -0.15380 22 3PX -0.02722 -0.00291 0.00619 -0.03702 -0.02734 23 3PY -0.02907 0.00142 -0.00400 0.03502 0.03358 24 3PZ 0.02889 0.00949 -0.01936 0.04669 0.03177 25 4XX 0.00703 0.00040 0.00076 0.00090 0.00320 26 4YY -0.00385 -0.00038 0.00100 -0.00204 0.00904 27 4ZZ 0.00294 0.00007 -0.00049 -0.00341 -0.00280 28 4XY 0.00455 0.00015 -0.00020 -0.00210 0.00786 29 4XZ -0.00046 -0.00055 0.00003 0.00131 0.00555 30 4YZ -0.00466 -0.00026 0.00027 0.00046 -0.00926 31 3 C 1S -0.10221 -0.01243 0.00592 0.00758 -0.06160 32 2S 0.20674 0.02605 -0.01128 -0.01797 0.12766 33 2PX -0.00354 0.00928 -0.04266 0.01429 -0.07386 34 2PY -0.07521 0.01895 -0.04309 0.19958 -0.11923 35 2PZ -0.00524 0.00864 -0.02147 0.01121 0.01966 36 3S 0.19341 0.02642 -0.01501 -0.01836 0.14637 37 3PX -0.00839 0.00956 -0.01712 -0.00485 -0.03067 38 3PY -0.03143 0.00912 -0.02110 0.08102 -0.04703 39 3PZ -0.00418 0.00263 -0.00588 0.01019 0.00077 40 4XX -0.00818 -0.00096 0.00299 0.00020 -0.00863 41 4YY 0.00404 0.00063 0.00064 -0.00238 0.01114 42 4ZZ -0.00854 -0.00206 0.00006 -0.00181 -0.00992 43 4XY 0.00041 0.00000 -0.00187 0.00216 -0.00005 44 4XZ 0.00002 -0.00128 -0.00078 0.00152 0.00499 45 4YZ 0.00150 -0.00002 -0.00103 -0.00081 0.00209 46 4 C 1S 0.04252 0.00808 0.00682 0.00557 0.04544 47 2S -0.08563 -0.01802 -0.01495 -0.01014 -0.09134 48 2PX 0.02395 0.00211 -0.09665 0.03188 0.00774 49 2PY -0.07742 -0.00185 -0.02338 0.08419 0.03414 50 2PZ -0.10177 -0.03755 0.00527 -0.10168 -0.10452 51 3S -0.08413 -0.01120 -0.01993 -0.02786 -0.12229 52 3PX 0.00902 -0.00468 -0.04046 0.01507 0.00727 53 3PY -0.02419 -0.00042 -0.00272 0.03836 0.00864 54 3PZ -0.03481 -0.01451 -0.00661 -0.04013 -0.04434 55 4XX -0.00235 -0.00083 0.00328 -0.00497 -0.00641 56 4YY -0.00228 -0.00097 -0.00078 -0.00095 0.00754 57 4ZZ 0.00760 0.00105 -0.00188 0.00213 0.00294 58 4XY -0.00165 -0.00026 0.00069 0.00075 -0.00126 59 4XZ -0.00378 -0.00097 -0.00063 -0.00323 -0.00274 60 4YZ 0.00494 0.00010 0.00095 -0.00328 0.00987 61 5 C 1S 0.04252 0.00808 0.00682 0.00557 -0.04544 62 2S -0.08562 -0.01802 -0.01495 -0.01014 0.09134 63 2PX 0.02395 0.00211 -0.09665 0.03188 -0.00773 64 2PY 0.07742 0.00185 0.02338 -0.08419 0.03414 65 2PZ -0.10177 -0.03755 0.00527 -0.10169 0.10452 66 3S -0.08413 -0.01120 -0.01993 -0.02786 0.12229 67 3PX 0.00902 -0.00468 -0.04046 0.01507 -0.00726 68 3PY 0.02419 0.00042 0.00272 -0.03836 0.00864 69 3PZ -0.03481 -0.01451 -0.00661 -0.04013 0.04434 70 4XX -0.00235 -0.00083 0.00328 -0.00497 0.00641 71 4YY -0.00228 -0.00097 -0.00078 -0.00096 -0.00754 72 4ZZ 0.00760 0.00105 -0.00188 0.00213 -0.00294 73 4XY 0.00165 0.00026 -0.00069 -0.00075 -0.00126 74 4XZ -0.00378 -0.00097 -0.00063 -0.00323 0.00274 75 4YZ -0.00494 -0.00010 -0.00095 0.00328 0.00987 76 6 C 1S -0.10221 -0.01243 0.00592 0.00757 0.06160 77 2S 0.20674 0.02605 -0.01127 -0.01797 -0.12766 78 2PX -0.00354 0.00928 -0.04267 0.01429 0.07387 79 2PY 0.07521 -0.01895 0.04309 -0.19958 -0.11923 80 2PZ -0.00524 0.00864 -0.02147 0.01120 -0.01966 81 3S 0.19341 0.02642 -0.01501 -0.01836 -0.14637 82 3PX -0.00839 0.00956 -0.01712 -0.00485 0.03067 83 3PY 0.03143 -0.00912 0.02111 -0.08102 -0.04703 84 3PZ -0.00418 0.00263 -0.00588 0.01018 -0.00077 85 4XX -0.00818 -0.00096 0.00299 0.00020 0.00863 86 4YY 0.00404 0.00063 0.00064 -0.00238 -0.01114 87 4ZZ -0.00854 -0.00206 0.00006 -0.00181 0.00992 88 4XY -0.00041 0.00000 0.00187 -0.00216 -0.00005 89 4XZ 0.00002 -0.00128 -0.00078 0.00152 -0.00499 90 4YZ -0.00150 0.00002 0.00103 0.00081 0.00209 91 7 H 1S -0.06454 -0.01841 0.03453 -0.12050 0.13843 92 2S -0.02740 -0.01176 0.02238 -0.08523 0.08665 93 8 H 1S -0.06453 -0.01841 0.03454 -0.12050 -0.13843 94 2S -0.02740 -0.01176 0.02238 -0.08522 -0.08665 95 9 H 1S 0.11678 -0.00021 0.02011 -0.11151 0.13178 96 2S 0.05092 -0.00380 0.01349 -0.06812 0.08344 97 10 H 1S -0.04246 -0.01138 0.05537 -0.04763 -0.06777 98 2S -0.01761 -0.01371 0.05149 -0.02204 -0.03710 99 11 H 1S -0.04246 -0.01138 0.05537 -0.04763 0.06776 100 2S -0.01761 -0.01371 0.05149 -0.02204 0.03710 101 12 H 1S 0.11678 -0.00021 0.02011 -0.11151 -0.13178 102 2S 0.05092 -0.00380 0.01349 -0.06812 -0.08344 103 13 H 1S -0.04640 -0.01879 -0.03239 -0.04631 0.08454 104 2S -0.02136 -0.00974 -0.01511 -0.03115 0.05214 105 14 H 1S -0.04640 -0.01879 -0.03239 -0.04631 -0.08454 106 2S -0.02136 -0.00974 -0.01511 -0.03115 -0.05214 107 15 C 1S -0.00096 0.01077 -0.00553 0.00027 0.00000 108 2S 0.00286 -0.02344 0.00836 -0.00202 0.00000 109 2PX -0.01561 0.22011 0.14686 0.00044 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 -0.07078 111 2PZ 0.00729 -0.07971 0.30140 0.09947 0.00001 112 3S 0.00474 -0.04138 0.02725 0.00854 0.00000 113 3PX -0.00845 0.08450 0.07299 0.00355 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 -0.02804 115 3PZ 0.00408 -0.01924 0.11943 0.04301 0.00000 116 4XX -0.00055 0.00015 -0.00212 -0.00084 0.00000 117 4YY 0.00114 0.00245 -0.00482 -0.00048 0.00000 118 4ZZ -0.00100 0.00009 0.00614 0.00098 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 -0.00227 120 4XZ 0.00164 -0.01454 0.00686 0.00449 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00290 122 16 C 1S 0.00937 0.01088 -0.00408 -0.00035 -0.00589 123 2S -0.02081 -0.02184 0.00863 0.00108 0.01078 124 2PX 0.02355 -0.04637 0.05099 0.03424 0.05261 125 2PY -0.04753 0.19533 -0.06023 -0.03873 -0.01149 126 2PZ 0.00370 0.15379 0.06747 0.01084 -0.03789 127 3S -0.00964 -0.04435 0.01530 0.00642 0.01816 128 3PX 0.00746 -0.00762 0.02765 0.01432 0.01824 129 3PY -0.01394 0.06106 -0.01983 -0.01141 -0.00885 130 3PZ 0.00437 0.05090 0.03234 0.00446 -0.00578 131 4XX 0.00152 0.00174 -0.00691 -0.00150 -0.00273 132 4YY -0.00087 -0.00133 -0.00001 -0.00014 0.00111 133 4ZZ 0.00115 -0.00280 0.00727 0.00239 0.00125 134 4XY 0.00091 -0.00669 0.00442 0.00440 -0.00558 135 4XZ 0.00110 -0.00280 -0.00205 0.00093 0.00325 136 4YZ -0.00074 0.00165 -0.00110 -0.00030 0.00424 137 17 C 1S 0.00937 0.01088 -0.00408 -0.00035 0.00589 138 2S -0.02082 -0.02183 0.00863 0.00108 -0.01078 139 2PX 0.02355 -0.04637 0.05099 0.03424 -0.05262 140 2PY 0.04753 -0.19533 0.06023 0.03873 -0.01149 141 2PZ 0.00370 0.15378 0.06747 0.01084 0.03789 142 3S -0.00964 -0.04435 0.01530 0.00642 -0.01816 143 3PX 0.00746 -0.00762 0.02765 0.01432 -0.01824 144 3PY 0.01394 -0.06106 0.01983 0.01141 -0.00885 145 3PZ 0.00437 0.05090 0.03234 0.00446 0.00578 146 4XX 0.00152 0.00174 -0.00691 -0.00150 0.00273 147 4YY -0.00087 -0.00133 -0.00001 -0.00014 -0.00111 148 4ZZ 0.00115 -0.00280 0.00727 0.00239 -0.00125 149 4XY -0.00091 0.00669 -0.00442 -0.00440 -0.00558 150 4XZ 0.00110 -0.00280 -0.00205 0.00093 -0.00325 151 4YZ 0.00074 -0.00165 0.00110 0.00030 0.00424 152 18 H 1S 0.00035 -0.02999 0.17195 0.04819 0.00000 153 2S -0.00427 -0.02517 0.10560 0.02521 0.00000 154 19 H 1S 0.00746 -0.12876 0.00465 0.00975 0.03702 155 2S 0.00580 -0.07793 0.00772 0.00248 0.02725 156 20 H 1S 0.00746 -0.12876 0.00465 0.00975 -0.03702 157 2S 0.00580 -0.07793 0.00772 0.00248 -0.02724 158 21 H 1S 0.00690 -0.10832 -0.09036 -0.00870 0.00000 159 2S 0.00243 -0.06408 -0.05004 -0.00280 0.00000 160 22 O 1S -0.00787 0.02952 -0.00277 -0.01110 -0.00414 161 2S 0.01893 -0.06741 0.00643 0.02494 0.00879 162 2PX -0.00463 0.05351 0.16045 0.03337 0.06330 163 2PY 0.02736 -0.19860 0.08015 0.06938 0.01147 164 2PZ 0.00852 0.05735 0.12571 0.03151 -0.05850 165 3S 0.02410 -0.09922 0.00697 0.04170 0.02137 166 3PX -0.00460 0.03583 0.08926 0.01746 0.03353 167 3PY 0.01586 -0.11637 0.04812 0.04077 0.00387 168 3PZ 0.00534 0.02720 0.07609 0.01900 -0.02975 169 4XX 0.00143 -0.00629 0.00441 0.00253 -0.00040 170 4YY -0.00199 0.01676 -0.00726 -0.00596 -0.00109 171 4ZZ 0.00065 -0.00841 0.00325 0.00174 -0.00074 172 4XY 0.00205 -0.01180 -0.00815 -0.00046 -0.00280 173 4XZ -0.00007 0.00511 0.00055 -0.00080 0.00002 174 4YZ -0.00149 0.00143 -0.01119 -0.00382 0.00235 175 23 O 1S -0.00787 0.02952 -0.00278 -0.01110 0.00414 176 2S 0.01893 -0.06741 0.00643 0.02494 -0.00879 177 2PX -0.00463 0.05351 0.16046 0.03337 -0.06329 178 2PY -0.02736 0.19860 -0.08016 -0.06938 0.01147 179 2PZ 0.00852 0.05735 0.12570 0.03151 0.05851 180 3S 0.02410 -0.09922 0.00697 0.04170 -0.02137 181 3PX -0.00460 0.03583 0.08926 0.01746 -0.03353 182 3PY -0.01586 0.11637 -0.04812 -0.04077 0.00387 183 3PZ 0.00533 0.02720 0.07609 0.01900 0.02975 184 4XX 0.00143 -0.00629 0.00441 0.00253 0.00040 185 4YY -0.00199 0.01676 -0.00726 -0.00596 0.00109 186 4ZZ 0.00065 -0.00841 0.00325 0.00174 0.00074 187 4XY -0.00205 0.01180 0.00815 0.00047 -0.00280 188 4XZ -0.00007 0.00511 0.00055 -0.00080 -0.00002 189 4YZ 0.00149 -0.00143 0.01119 0.00382 0.00235 26 27 28 29 30 O O O O O Eigenvalues -- -0.44671 -0.44355 -0.44105 -0.40558 -0.39790 1 1 C 1S 0.01120 -0.00122 0.00258 0.00504 0.00674 2 2S -0.02097 0.00223 -0.00790 -0.01054 -0.01764 3 2PX -0.01417 0.00929 -0.03105 0.15431 0.12100 4 2PY -0.01099 0.05722 0.03607 -0.19643 0.01491 5 2PZ 0.03527 0.05812 0.01678 -0.07676 -0.16405 6 3S -0.03569 0.00520 0.00334 -0.01433 -0.02552 7 3PX 0.00017 0.00837 -0.01601 0.06152 0.01629 8 3PY 0.00467 0.01738 0.01230 -0.07223 0.03692 9 3PZ 0.01226 0.02818 0.00606 -0.02507 -0.03667 10 4XX -0.00010 -0.00217 0.00089 -0.00437 -0.00156 11 4YY 0.00214 -0.00037 -0.00117 0.00309 0.00777 12 4ZZ 0.00008 0.00265 -0.00010 0.00260 -0.00083 13 4XY -0.00198 -0.00173 -0.00027 0.00082 0.00671 14 4XZ 0.00022 -0.00064 0.00069 0.00131 0.00156 15 4YZ 0.00367 0.00012 0.00047 -0.00073 -0.01097 16 2 C 1S -0.01120 -0.00122 0.00258 0.00504 -0.00674 17 2S 0.02097 0.00223 -0.00790 -0.01054 0.01764 18 2PX 0.01418 0.00929 -0.03105 0.15432 -0.12099 19 2PY -0.01099 -0.05723 -0.03607 0.19643 0.01492 20 2PZ -0.03527 0.05811 0.01677 -0.07676 0.16405 21 3S 0.03569 0.00521 0.00334 -0.01434 0.02552 22 3PX -0.00017 0.00838 -0.01600 0.06152 -0.01629 23 3PY 0.00467 -0.01738 -0.01230 0.07223 0.03692 24 3PZ -0.01226 0.02818 0.00605 -0.02507 0.03667 25 4XX 0.00010 -0.00217 0.00089 -0.00437 0.00156 26 4YY -0.00214 -0.00037 -0.00117 0.00309 -0.00776 27 4ZZ -0.00008 0.00265 -0.00010 0.00260 0.00083 28 4XY -0.00198 0.00173 0.00027 -0.00082 0.00671 29 4XZ -0.00022 -0.00064 0.00069 0.00131 -0.00156 30 4YZ 0.00367 -0.00012 -0.00047 0.00073 -0.01097 31 3 C 1S 0.02373 0.00061 0.00395 -0.00060 -0.02736 32 2S -0.04993 0.00095 -0.00776 0.00099 0.06302 33 2PX -0.01209 0.10546 0.03938 -0.12513 0.10098 34 2PY 0.02920 -0.01631 0.00078 -0.03525 0.25433 35 2PZ -0.02248 -0.00101 -0.04132 0.23682 0.03108 36 3S -0.05782 -0.01173 -0.01691 0.01216 0.09501 37 3PX -0.00314 0.04405 0.01133 -0.03648 0.04767 38 3PY 0.00936 -0.01975 -0.00855 -0.00712 0.07515 39 3PZ -0.02115 0.00502 -0.01306 0.08431 0.01005 40 4XX 0.00268 0.00005 -0.00022 -0.00440 0.00056 41 4YY -0.00332 -0.00143 -0.00081 0.00260 -0.01169 42 4ZZ 0.00431 0.00111 0.00159 0.00350 0.00279 43 4XY -0.00059 0.00365 0.00091 -0.00120 0.00320 44 4XZ 0.00067 0.00388 0.00245 0.00454 0.00024 45 4YZ -0.00094 0.00053 -0.00121 0.00457 -0.00081 46 4 C 1S -0.01410 0.00516 0.00043 0.00003 -0.00885 47 2S 0.03010 -0.01141 -0.00050 0.00168 0.01673 48 2PX -0.01798 0.22940 0.07288 0.12353 0.12746 49 2PY -0.01120 -0.01034 0.01418 -0.14018 0.01425 50 2PZ 0.04251 0.10557 0.07150 -0.15616 -0.07839 51 3S 0.04061 -0.01707 -0.00839 0.00239 0.05379 52 3PX 0.00226 0.10344 0.03540 0.05636 0.06031 53 3PY -0.00920 0.00080 0.01008 -0.06579 0.03114 54 3PZ 0.02054 0.04034 0.02589 -0.07065 -0.02681 55 4XX 0.00244 -0.00088 0.00017 -0.00463 -0.00344 56 4YY -0.00212 -0.00102 0.00008 -0.00205 -0.00505 57 4ZZ -0.00061 0.00332 0.00083 0.00507 0.00687 58 4XY 0.00150 -0.00302 -0.00087 -0.00124 -0.00780 59 4XZ 0.00133 0.00828 0.00354 0.00200 -0.00167 60 4YZ -0.00352 -0.00012 -0.00057 0.00272 0.00142 61 5 C 1S 0.01410 0.00516 0.00043 0.00002 0.00885 62 2S -0.03010 -0.01142 -0.00050 0.00169 -0.01673 63 2PX 0.01799 0.22940 0.07288 0.12354 -0.12744 64 2PY -0.01119 0.01033 -0.01419 0.14019 0.01426 65 2PZ -0.04251 0.10557 0.07149 -0.15616 0.07838 66 3S -0.04061 -0.01707 -0.00839 0.00240 -0.05379 67 3PX -0.00226 0.10344 0.03540 0.05636 -0.06030 68 3PY -0.00919 -0.00081 -0.01008 0.06579 0.03114 69 3PZ -0.02054 0.04033 0.02589 -0.07065 0.02680 70 4XX -0.00244 -0.00088 0.00017 -0.00463 0.00344 71 4YY 0.00212 -0.00102 0.00008 -0.00205 0.00505 72 4ZZ 0.00061 0.00332 0.00083 0.00507 -0.00687 73 4XY 0.00150 0.00302 0.00087 0.00124 -0.00780 74 4XZ -0.00133 0.00828 0.00354 0.00200 0.00167 75 4YZ -0.00352 0.00012 0.00057 -0.00272 0.00142 76 6 C 1S -0.02373 0.00061 0.00395 -0.00060 0.02736 77 2S 0.04993 0.00095 -0.00776 0.00100 -0.06302 78 2PX 0.01209 0.10546 0.03938 -0.12512 -0.10100 79 2PY 0.02920 0.01632 -0.00078 0.03522 0.25433 80 2PZ 0.02249 -0.00101 -0.04132 0.23682 -0.03105 81 3S 0.05782 -0.01173 -0.01691 0.01217 -0.09501 82 3PX 0.00314 0.04405 0.01133 -0.03648 -0.04767 83 3PY 0.00936 0.01975 0.00855 0.00711 0.07515 84 3PZ 0.02115 0.00502 -0.01306 0.08431 -0.01004 85 4XX -0.00268 0.00005 -0.00022 -0.00440 -0.00056 86 4YY 0.00332 -0.00143 -0.00081 0.00260 0.01169 87 4ZZ -0.00431 0.00111 0.00159 0.00350 -0.00279 88 4XY -0.00059 -0.00365 -0.00091 0.00120 0.00320 89 4XZ -0.00067 0.00388 0.00245 0.00454 -0.00024 90 4YZ -0.00094 -0.00053 0.00121 -0.00457 -0.00081 91 7 H 1S -0.03401 -0.00334 -0.00880 0.01607 0.11250 92 2S -0.02851 -0.00146 -0.00538 0.01590 0.10979 93 8 H 1S 0.03401 -0.00334 -0.00879 0.01608 -0.11250 94 2S 0.02851 -0.00146 -0.00538 0.01591 -0.10979 95 9 H 1S -0.03819 0.00206 -0.00458 0.02005 -0.13987 96 2S -0.02417 -0.00272 -0.00595 0.01916 -0.14216 97 10 H 1S 0.03169 -0.09954 -0.02822 -0.06368 -0.08254 98 2S 0.02293 -0.06367 -0.00948 -0.04917 -0.07452 99 11 H 1S -0.03170 -0.09954 -0.02822 -0.06369 0.08254 100 2S -0.02293 -0.06367 -0.00948 -0.04918 0.07452 101 12 H 1S 0.03819 0.00207 -0.00458 0.02004 0.13987 102 2S 0.02417 -0.00271 -0.00595 0.01915 0.14216 103 13 H 1S -0.02579 0.12774 0.05402 0.01222 -0.02406 104 2S -0.01204 0.10026 0.04363 0.00923 -0.01494 105 14 H 1S 0.02579 0.12774 0.05402 0.01221 0.02406 106 2S 0.01204 0.10026 0.04363 0.00923 0.01494 107 15 C 1S 0.00000 -0.01986 0.02041 -0.00014 0.00000 108 2S 0.00000 0.04357 -0.04009 0.00102 0.00000 109 2PX 0.00000 0.00874 0.29899 0.03914 0.00000 110 2PY -0.19148 0.00000 0.00000 0.00000 -0.00994 111 2PZ 0.00000 0.19839 -0.06924 0.01122 0.00000 112 3S 0.00000 0.05144 -0.05407 0.00649 0.00000 113 3PX 0.00000 -0.00572 0.10989 0.00774 0.00000 114 3PY -0.08924 0.00000 0.00000 0.00000 0.00178 115 3PZ 0.00000 0.08660 -0.01957 0.01501 0.00000 116 4XX 0.00000 0.00315 -0.02269 -0.00375 0.00000 117 4YY 0.00000 -0.01638 0.02991 0.00468 0.00000 118 4ZZ 0.00000 0.01230 -0.00792 -0.00148 0.00000 119 4XY -0.00391 0.00000 0.00000 0.00000 0.00212 120 4XZ 0.00000 0.00183 -0.00457 0.00025 0.00000 121 4YZ 0.00850 0.00000 0.00000 0.00000 0.00433 122 16 C 1S -0.04334 -0.00848 0.00357 -0.00432 -0.00571 123 2S 0.08673 0.02294 -0.01067 0.00807 0.00806 124 2PX 0.13354 -0.09447 0.13119 0.02799 -0.01140 125 2PY -0.07242 -0.02203 0.00091 0.01148 -0.00264 126 2PZ -0.20088 0.03047 -0.16383 -0.02587 -0.02551 127 3S 0.13911 0.00856 -0.01254 0.01683 0.04802 128 3PX 0.03562 -0.03419 0.04726 0.00534 -0.00373 129 3PY -0.00527 -0.00616 0.00329 -0.00033 0.01918 130 3PZ -0.05306 0.00398 -0.06050 -0.00698 -0.01614 131 4XX -0.01110 -0.00027 -0.00659 -0.00395 0.00160 132 4YY 0.00182 -0.00045 0.00230 0.00138 -0.00149 133 4ZZ 0.00420 -0.00122 0.00650 0.00176 -0.00185 134 4XY -0.01347 0.00069 -0.00450 -0.00022 0.00121 135 4XZ 0.00595 -0.00537 0.00274 0.00138 0.00025 136 4YZ 0.02186 -0.00207 0.00452 0.00011 0.00320 137 17 C 1S 0.04334 -0.00848 0.00357 -0.00432 0.00571 138 2S -0.08673 0.02294 -0.01067 0.00807 -0.00806 139 2PX -0.13355 -0.09446 0.13119 0.02799 0.01140 140 2PY -0.07242 0.02204 -0.00091 -0.01148 -0.00263 141 2PZ 0.20087 0.03047 -0.16383 -0.02588 0.02551 142 3S -0.13911 0.00857 -0.01254 0.01683 -0.04802 143 3PX -0.03562 -0.03418 0.04726 0.00534 0.00373 144 3PY -0.00527 0.00616 -0.00329 0.00033 0.01918 145 3PZ 0.05306 0.00398 -0.06050 -0.00699 0.01614 146 4XX 0.01110 -0.00027 -0.00659 -0.00395 -0.00160 147 4YY -0.00182 -0.00045 0.00230 0.00138 0.00149 148 4ZZ -0.00420 -0.00122 0.00650 0.00176 0.00185 149 4XY -0.01347 -0.00069 0.00450 0.00022 0.00121 150 4XZ -0.00595 -0.00537 0.00274 0.00138 -0.00025 151 4YZ 0.02186 0.00207 -0.00452 -0.00011 0.00320 152 18 H 1S 0.00000 0.12927 -0.03827 0.00245 0.00000 153 2S 0.00000 0.07777 -0.03196 -0.01650 0.00000 154 19 H 1S 0.18978 -0.01003 0.08955 0.01442 0.01386 155 2S 0.14822 -0.01115 0.07278 0.00771 0.00331 156 20 H 1S -0.18978 -0.01002 0.08954 0.01443 -0.01386 157 2S -0.14822 -0.01115 0.07278 0.00771 -0.00331 158 21 H 1S 0.00000 0.00159 -0.19584 -0.02668 0.00000 159 2S 0.00000 -0.00848 -0.14791 -0.02503 0.00000 160 22 O 1S -0.01680 0.01266 -0.02332 -0.00419 0.00046 161 2S 0.03654 -0.02830 0.05157 0.00895 -0.00285 162 2PX 0.20196 0.12877 -0.15379 -0.02090 0.04589 163 2PY 0.02965 -0.00069 -0.02249 0.01388 0.02106 164 2PZ -0.12170 -0.05261 0.18958 0.04670 0.05296 165 3S 0.08737 -0.04948 0.10463 0.01779 0.00122 166 3PX 0.10902 0.07173 -0.08062 -0.01163 0.03277 167 3PY 0.00786 -0.00892 -0.00851 0.00960 0.01279 168 3PZ -0.05877 -0.02977 0.10564 0.03039 0.03688 169 4XX 0.00009 0.00067 -0.00830 -0.00066 0.00101 170 4YY -0.00227 0.00028 0.00208 -0.00071 -0.00156 171 4ZZ -0.00539 0.00301 -0.00038 -0.00006 -0.00122 172 4XY -0.00858 -0.00644 0.00493 0.00083 -0.00145 173 4XZ 0.00199 -0.00354 0.00343 0.00036 0.00144 174 4YZ 0.00511 0.00044 -0.00949 -0.00241 -0.00199 175 23 O 1S 0.01680 0.01266 -0.02332 -0.00419 -0.00046 176 2S -0.03654 -0.02830 0.05157 0.00895 0.00285 177 2PX -0.20195 0.12878 -0.15379 -0.02090 -0.04588 178 2PY 0.02965 0.00069 0.02248 -0.01389 0.02107 179 2PZ 0.12170 -0.05262 0.18958 0.04670 -0.05296 180 3S -0.08737 -0.04947 0.10462 0.01779 -0.00122 181 3PX -0.10902 0.07173 -0.08062 -0.01162 -0.03277 182 3PY 0.00786 0.00892 0.00851 -0.00960 0.01280 183 3PZ 0.05877 -0.02977 0.10565 0.03039 -0.03688 184 4XX -0.00009 0.00067 -0.00830 -0.00066 -0.00101 185 4YY 0.00227 0.00028 0.00208 -0.00071 0.00156 186 4ZZ 0.00539 0.00301 -0.00038 -0.00006 0.00122 187 4XY -0.00858 0.00645 -0.00493 -0.00083 -0.00145 188 4XZ -0.00199 -0.00354 0.00343 0.00036 -0.00144 189 4YZ 0.00511 -0.00044 0.00949 0.00241 -0.00199 31 32 33 34 35 O O O O O Eigenvalues -- -0.38963 -0.38415 -0.37329 -0.35526 -0.34882 1 1 C 1S -0.00999 0.01764 -0.01083 -0.00562 -0.00511 2 2S 0.02442 -0.04016 0.02195 0.00835 0.01107 3 2PX -0.02174 0.07888 -0.05003 -0.02592 0.06474 4 2PY -0.11434 0.19126 -0.00070 0.00045 0.08213 5 2PZ 0.06209 -0.09334 0.01747 0.01615 0.08545 6 3S 0.01834 -0.06650 0.07767 0.05449 0.01057 7 3PX -0.00345 0.03126 -0.03149 -0.02534 0.03996 8 3PY -0.03863 0.05038 -0.01268 -0.00306 0.03212 9 3PZ 0.02361 -0.02974 0.01974 0.01899 0.04541 10 4XX -0.00311 0.00315 0.00321 0.00086 -0.00326 11 4YY 0.00326 -0.00571 -0.00484 -0.00224 -0.00106 12 4ZZ -0.00360 0.00916 -0.00062 -0.00079 0.00378 13 4XY -0.00093 0.00115 -0.00197 -0.00123 -0.00182 14 4XZ 0.00264 -0.00609 -0.00205 -0.00113 -0.00290 15 4YZ 0.00077 -0.00278 -0.00017 0.00079 -0.00156 16 2 C 1S -0.00999 0.01764 0.01083 0.00562 -0.00511 17 2S 0.02442 -0.04016 -0.02195 -0.00835 0.01107 18 2PX -0.02174 0.07888 0.05003 0.02592 0.06474 19 2PY 0.11434 -0.19125 -0.00069 0.00046 -0.08213 20 2PZ 0.06208 -0.09335 -0.01747 -0.01615 0.08545 21 3S 0.01833 -0.06650 -0.07767 -0.05449 0.01056 22 3PX -0.00345 0.03126 0.03149 0.02533 0.03996 23 3PY 0.03863 -0.05037 -0.01267 -0.00306 -0.03213 24 3PZ 0.02360 -0.02974 -0.01974 -0.01899 0.04541 25 4XX -0.00311 0.00315 -0.00321 -0.00086 -0.00326 26 4YY 0.00326 -0.00571 0.00484 0.00224 -0.00106 27 4ZZ -0.00360 0.00916 0.00062 0.00079 0.00378 28 4XY 0.00093 -0.00115 -0.00197 -0.00123 0.00182 29 4XZ 0.00264 -0.00609 0.00205 0.00113 -0.00290 30 4YZ -0.00076 0.00278 -0.00017 0.00079 0.00156 31 3 C 1S -0.00338 -0.00256 0.00623 0.00442 -0.00778 32 2S 0.00581 0.00655 -0.01854 -0.01275 0.01954 33 2PX 0.00250 -0.01301 0.05236 0.01318 0.09597 34 2PY -0.01290 0.05039 -0.13678 -0.05868 0.02132 35 2PZ 0.01549 0.03912 0.03082 0.01261 0.06733 36 3S 0.01606 0.01081 0.01223 0.01657 0.01465 37 3PX 0.00158 0.01051 0.05380 0.02952 0.05667 38 3PY -0.00480 0.00966 -0.01683 -0.00961 0.00986 39 3PZ 0.00693 -0.01470 0.01455 0.00025 0.04226 40 4XX -0.00094 0.00035 -0.00515 -0.00165 0.00137 41 4YY 0.00197 -0.00346 0.00662 0.00265 -0.00410 42 4ZZ -0.00151 0.00076 -0.00026 0.00010 -0.00218 43 4XY 0.00435 -0.00588 0.00128 0.00025 0.00135 44 4XZ -0.00133 -0.00138 0.00402 0.00235 -0.00624 45 4YZ -0.00222 0.01022 0.00122 0.00048 0.00250 46 4 C 1S 0.00305 -0.02069 0.00248 0.00130 -0.00272 47 2S -0.00755 0.04516 0.00036 -0.00386 0.00793 48 2PX -0.08123 0.04528 0.15599 0.08152 -0.08064 49 2PY -0.07392 0.21892 -0.01046 -0.00256 -0.04209 50 2PZ 0.00719 -0.16428 0.09248 0.04271 -0.06563 51 3S -0.00371 0.08486 -0.04621 0.00038 -0.00102 52 3PX -0.03275 0.01866 0.06141 0.02245 -0.03264 53 3PY -0.03467 0.09033 -0.04180 -0.01345 -0.01866 54 3PZ 0.01608 -0.08314 0.06036 0.02686 -0.02494 55 4XX 0.00435 -0.01048 -0.00123 -0.00088 0.00330 56 4YY -0.00171 0.00682 0.00236 0.00078 -0.00059 57 4ZZ -0.00110 -0.00220 0.00012 0.00014 -0.00286 58 4XY 0.00073 -0.00052 -0.01121 -0.00585 0.00004 59 4XZ -0.00447 -0.00227 0.00668 0.00433 -0.00978 60 4YZ 0.00023 0.00023 -0.00379 -0.00186 0.00002 61 5 C 1S 0.00305 -0.02069 -0.00248 -0.00130 -0.00272 62 2S -0.00755 0.04516 -0.00036 0.00386 0.00793 63 2PX -0.08122 0.04528 -0.15599 -0.08152 -0.08066 64 2PY 0.07392 -0.21892 -0.01046 -0.00257 0.04209 65 2PZ 0.00719 -0.16429 -0.09247 -0.04271 -0.06564 66 3S -0.00370 0.08486 0.04621 -0.00038 -0.00102 67 3PX -0.03275 0.01866 -0.06141 -0.02245 -0.03264 68 3PY 0.03467 -0.09033 -0.04180 -0.01345 0.01866 69 3PZ 0.01608 -0.08315 -0.06036 -0.02686 -0.02495 70 4XX 0.00435 -0.01049 0.00122 0.00088 0.00330 71 4YY -0.00171 0.00682 -0.00236 -0.00078 -0.00059 72 4ZZ -0.00110 -0.00220 -0.00012 -0.00014 -0.00286 73 4XY -0.00073 0.00052 -0.01121 -0.00585 -0.00004 74 4XZ -0.00447 -0.00227 -0.00668 -0.00433 -0.00978 75 4YZ -0.00023 -0.00023 -0.00379 -0.00186 -0.00002 76 6 C 1S -0.00338 -0.00256 -0.00623 -0.00442 -0.00778 77 2S 0.00582 0.00655 0.01854 0.01275 0.01954 78 2PX 0.00250 -0.01301 -0.05237 -0.01318 0.09596 79 2PY 0.01289 -0.05039 -0.13678 -0.05868 -0.02132 80 2PZ 0.01549 0.03912 -0.03083 -0.01261 0.06733 81 3S 0.01606 0.01081 -0.01223 -0.01657 0.01465 82 3PX 0.00158 0.01051 -0.05380 -0.02952 0.05666 83 3PY 0.00480 -0.00966 -0.01683 -0.00961 -0.00986 84 3PZ 0.00692 -0.01470 -0.01455 -0.00025 0.04226 85 4XX -0.00094 0.00035 0.00515 0.00165 0.00137 86 4YY 0.00197 -0.00346 -0.00662 -0.00265 -0.00410 87 4ZZ -0.00151 0.00076 0.00026 -0.00010 -0.00218 88 4XY -0.00435 0.00588 0.00128 0.00025 -0.00135 89 4XZ -0.00133 -0.00138 -0.00402 -0.00235 -0.00624 90 4YZ 0.00222 -0.01022 0.00122 0.00048 -0.00250 91 7 H 1S -0.06113 0.11468 -0.01201 -0.01066 0.01680 92 2S -0.05780 0.11960 -0.00973 -0.00875 0.01665 93 8 H 1S -0.06113 0.11468 0.01200 0.01066 0.01680 94 2S -0.05779 0.11960 0.00973 0.00875 0.01665 95 9 H 1S 0.01387 -0.03208 0.07865 0.03234 -0.02009 96 2S 0.01012 -0.03590 0.08719 0.02905 -0.02220 97 10 H 1S 0.06089 -0.08551 -0.08474 -0.04657 0.05426 98 2S 0.04164 -0.08607 -0.09769 -0.06867 0.05669 99 11 H 1S 0.06089 -0.08552 0.08474 0.04657 0.05427 100 2S 0.04164 -0.08608 0.09769 0.06867 0.05669 101 12 H 1S 0.01387 -0.03208 -0.07865 -0.03234 -0.02009 102 2S 0.01011 -0.03590 -0.08718 -0.02905 -0.02220 103 13 H 1S -0.02005 -0.07973 -0.11101 -0.05658 -0.05823 104 2S -0.02533 -0.07535 -0.09570 -0.05370 -0.06183 105 14 H 1S -0.02005 -0.07973 0.11101 0.05658 -0.05822 106 2S -0.02533 -0.07535 0.09570 0.05370 -0.06182 107 15 C 1S -0.03130 -0.01593 0.00000 0.00000 0.02086 108 2S 0.07641 0.03964 0.00000 0.00000 -0.05254 109 2PX 0.15449 0.07158 0.00000 0.00000 0.06515 110 2PY 0.00000 0.00000 0.06911 -0.17974 0.00000 111 2PZ -0.01805 0.00015 0.00000 0.00000 0.17945 112 3S 0.08255 0.04563 0.00000 0.00000 -0.06788 113 3PX 0.06703 0.03034 0.00000 0.00000 0.00659 114 3PY 0.00000 0.00000 0.02100 -0.00551 0.00000 115 3PZ -0.02677 0.00026 0.00000 0.00000 0.04819 116 4XX -0.00403 -0.00156 0.00000 0.00000 -0.01842 117 4YY -0.01126 -0.00388 0.00000 0.00000 0.00293 118 4ZZ 0.01304 0.00461 0.00000 0.00000 0.01775 119 4XY 0.00000 0.00000 0.01651 -0.01812 0.00000 120 4XZ -0.00786 -0.00305 0.00000 0.00000 0.00391 121 4YZ 0.00000 0.00000 0.00762 0.01714 0.00000 122 16 C 1S 0.01689 0.00694 0.01728 -0.03095 -0.00027 123 2S -0.03769 -0.01689 -0.03516 0.07035 0.00352 124 2PX -0.11956 -0.02816 -0.05557 -0.07431 -0.12390 125 2PY -0.23111 -0.11829 0.00836 0.00355 0.18250 126 2PZ -0.09959 -0.03291 -0.08247 0.04471 -0.12769 127 3S -0.05887 -0.02340 -0.07140 0.10613 0.00159 128 3PX -0.05942 -0.01762 -0.05557 0.00860 -0.08672 129 3PY -0.05969 -0.02881 -0.01929 0.05218 0.05864 130 3PZ -0.04601 -0.00576 -0.03758 -0.01250 -0.08090 131 4XX 0.01016 0.00358 0.00612 0.00543 0.00040 132 4YY -0.00909 -0.00439 0.00395 -0.01151 0.00544 133 4ZZ 0.00694 0.00473 -0.00789 0.00274 -0.00897 134 4XY -0.00674 -0.00170 0.00604 -0.00330 -0.00188 135 4XZ -0.00732 -0.00269 0.00250 -0.00900 0.00648 136 4YZ 0.00407 0.00262 0.00412 0.00351 -0.00620 137 17 C 1S 0.01689 0.00694 -0.01728 0.03095 -0.00027 138 2S -0.03769 -0.01689 0.03516 -0.07035 0.00352 139 2PX -0.11956 -0.02816 0.05558 0.07432 -0.12390 140 2PY 0.23111 0.11829 0.00836 0.00355 -0.18250 141 2PZ -0.09959 -0.03290 0.08248 -0.04471 -0.12770 142 3S -0.05887 -0.02340 0.07140 -0.10613 0.00159 143 3PX -0.05942 -0.01762 0.05557 -0.00860 -0.08672 144 3PY 0.05970 0.02881 -0.01929 0.05218 -0.05864 145 3PZ -0.04601 -0.00576 0.03759 0.01250 -0.08090 146 4XX 0.01016 0.00358 -0.00612 -0.00543 0.00040 147 4YY -0.00909 -0.00439 -0.00395 0.01151 0.00544 148 4ZZ 0.00694 0.00473 0.00789 -0.00274 -0.00897 149 4XY 0.00675 0.00170 0.00604 -0.00330 0.00188 150 4XZ -0.00732 -0.00269 -0.00250 0.00900 0.00648 151 4YZ -0.00407 -0.00262 0.00412 0.00351 0.00620 152 18 H 1S 0.05619 0.02391 0.00000 0.00000 0.12006 153 2S 0.05455 0.01111 0.00000 0.00000 0.15194 154 19 H 1S 0.10332 0.05195 0.00693 0.00527 -0.04079 155 2S 0.09582 0.05553 0.01354 -0.00960 -0.05590 156 20 H 1S 0.10332 0.05195 -0.00693 -0.00527 -0.04079 157 2S 0.09582 0.05554 -0.01354 0.00959 -0.05590 158 21 H 1S -0.05864 -0.02633 0.00000 0.00000 -0.10328 159 2S -0.06677 -0.02973 0.00000 0.00000 -0.09892 160 22 O 1S 0.03752 0.01425 0.01758 -0.03612 -0.01841 161 2S -0.07463 -0.02607 -0.03961 0.07272 0.03594 162 2PX 0.04362 0.02395 0.17537 -0.06751 -0.13861 163 2PY -0.20892 -0.08339 -0.09702 0.41174 0.10603 164 2PZ -0.11691 -0.03176 0.20957 0.03330 -0.09788 165 3S -0.17863 -0.07431 -0.06337 0.13347 0.08449 166 3PX 0.02996 0.01450 0.12783 -0.04962 -0.09596 167 3PY -0.12845 -0.05035 -0.06179 0.27486 0.06920 168 3PZ -0.07705 -0.02162 0.13955 0.02381 -0.06028 169 4XX -0.00403 -0.00040 0.00513 0.00060 -0.01004 170 4YY 0.01542 0.00641 0.00348 -0.02029 -0.00698 171 4ZZ 0.00532 0.00242 -0.00345 0.00181 0.00747 172 4XY -0.00010 0.00003 -0.00861 0.00813 0.00210 173 4XZ -0.00067 -0.00041 0.00243 0.00199 -0.00135 174 4YZ 0.00249 -0.00081 -0.00771 -0.00315 0.00640 175 23 O 1S 0.03752 0.01425 -0.01758 0.03612 -0.01841 176 2S -0.07463 -0.02607 0.03961 -0.07272 0.03595 177 2PX 0.04362 0.02395 -0.17537 0.06751 -0.13860 178 2PY 0.20893 0.08339 -0.09702 0.41174 -0.10604 179 2PZ -0.11691 -0.03177 -0.20957 -0.03329 -0.09788 180 3S -0.17863 -0.07431 0.06337 -0.13346 0.08450 181 3PX 0.02996 0.01450 -0.12783 0.04962 -0.09596 182 3PY 0.12845 0.05035 -0.06179 0.27486 -0.06920 183 3PZ -0.07705 -0.02162 -0.13955 -0.02380 -0.06028 184 4XX -0.00403 -0.00040 -0.00513 -0.00060 -0.01004 185 4YY 0.01542 0.00641 -0.00348 0.02029 -0.00698 186 4ZZ 0.00532 0.00242 0.00345 -0.00181 0.00747 187 4XY 0.00010 -0.00003 -0.00861 0.00813 -0.00210 188 4XZ -0.00067 -0.00041 -0.00243 -0.00199 -0.00135 189 4YZ -0.00249 0.00081 -0.00771 -0.00315 -0.00640 36 37 38 39 40 O O O O O Eigenvalues -- -0.32858 -0.31942 -0.31708 -0.28626 -0.19800 1 1 C 1S 0.00476 0.00273 -0.00196 -0.01120 -0.00590 2 2S -0.00545 -0.01588 0.00791 0.02347 0.01966 3 2PX -0.04990 0.14856 -0.00088 0.19344 0.11966 4 2PY 0.00448 -0.01665 -0.21060 -0.00891 0.02876 5 2PZ 0.05529 -0.12127 -0.02502 0.20517 0.15115 6 3S -0.04963 0.07020 -0.00324 0.05552 -0.04888 7 3PX -0.00353 0.02662 0.00318 0.12750 0.12083 8 3PY 0.02036 -0.04055 -0.07792 0.00526 0.07359 9 3PZ 0.00506 -0.00321 -0.02233 0.13575 0.09143 10 4XX -0.00023 -0.00152 -0.00351 -0.00665 -0.01019 11 4YY 0.00207 -0.00040 0.00856 0.00362 0.00345 12 4ZZ -0.00243 0.00732 -0.00764 0.00066 0.00537 13 4XY -0.00501 0.01190 -0.00292 -0.00789 0.00667 14 4XZ 0.00311 -0.00451 0.00649 0.00105 0.00071 15 4YZ 0.00530 -0.00993 0.00311 -0.00356 0.01174 16 2 C 1S -0.00476 -0.00273 -0.00196 -0.01120 0.00590 17 2S 0.00545 0.01588 0.00791 0.02347 -0.01966 18 2PX 0.04990 -0.14857 -0.00090 0.19344 -0.11967 19 2PY 0.00448 -0.01668 0.21060 0.00891 0.02876 20 2PZ -0.05528 0.12127 -0.02500 0.20518 -0.15115 21 3S 0.04964 -0.07020 -0.00324 0.05551 0.04888 22 3PX 0.00353 -0.02662 0.00317 0.12750 -0.12084 23 3PY 0.02035 -0.04056 0.07792 -0.00527 0.07359 24 3PZ -0.00506 0.00322 -0.02232 0.13575 -0.09143 25 4XX 0.00023 0.00152 -0.00351 -0.00665 0.01018 26 4YY -0.00207 0.00040 0.00856 0.00363 -0.00345 27 4ZZ 0.00243 -0.00732 -0.00764 0.00066 -0.00537 28 4XY -0.00501 0.01190 0.00292 0.00789 0.00667 29 4XZ -0.00311 0.00451 0.00649 0.00105 -0.00071 30 4YZ 0.00530 -0.00992 -0.00311 0.00356 0.01174 31 3 C 1S -0.01043 -0.00118 0.00072 0.01248 -0.01316 32 2S 0.02696 -0.00313 -0.00765 -0.02322 0.02809 33 2PX -0.08862 0.10027 -0.06196 0.12502 -0.25642 34 2PY 0.05357 -0.02346 -0.18182 -0.07743 0.08081 35 2PZ 0.10172 -0.23177 -0.05583 0.04046 -0.15998 36 3S 0.02195 0.05077 0.02050 -0.06289 0.04141 37 3PX -0.04269 0.04287 -0.02754 0.07269 -0.19393 38 3PY 0.01134 0.02972 -0.04897 -0.05953 0.02271 39 3PZ 0.03862 -0.09629 -0.02304 0.03570 -0.14704 40 4XX -0.00064 0.00142 -0.00777 0.01107 -0.00723 41 4YY -0.00226 0.00267 0.02072 0.00379 -0.00184 42 4ZZ 0.00156 -0.00579 -0.00930 -0.01078 0.00813 43 4XY -0.00278 0.00455 0.00177 0.00378 -0.00203 44 4XZ -0.00614 -0.00381 0.00469 0.00194 0.00293 45 4YZ 0.00326 -0.00689 0.00267 0.00447 -0.00138 46 4 C 1S -0.00999 0.00302 -0.00649 0.00204 -0.00752 47 2S 0.02397 -0.00984 0.01910 -0.00732 0.00933 48 2PX -0.14178 -0.16974 0.00753 -0.05502 0.07888 49 2PY -0.01370 0.01035 0.27372 0.09271 0.01321 50 2PZ -0.17318 0.18131 0.03440 0.01722 0.03514 51 3S 0.05249 -0.02785 0.00792 -0.01557 0.09907 52 3PX -0.07492 -0.08646 0.00319 -0.01733 0.04012 53 3PY -0.01213 -0.00217 0.13289 0.06111 0.01254 54 3PZ -0.06069 0.11414 0.03285 -0.01013 0.01887 55 4XX -0.00130 0.00941 -0.00760 0.00246 -0.00620 56 4YY -0.00038 -0.00084 0.01218 0.00278 -0.00399 57 4ZZ -0.00066 -0.00559 -0.00679 -0.00717 0.00915 58 4XY 0.00981 0.01125 -0.00067 -0.00033 -0.00312 59 4XZ -0.00982 -0.00252 0.00308 -0.00570 0.01276 60 4YZ 0.01006 -0.01132 0.00382 0.00204 -0.00325 61 5 C 1S 0.00999 -0.00302 -0.00649 0.00204 0.00752 62 2S -0.02397 0.00984 0.01910 -0.00732 -0.00933 63 2PX 0.14178 0.16974 0.00756 -0.05502 -0.07888 64 2PY -0.01370 0.01040 -0.27372 -0.09271 0.01321 65 2PZ 0.17318 -0.18131 0.03438 0.01722 -0.03514 66 3S -0.05249 0.02785 0.00792 -0.01556 -0.09906 67 3PX 0.07492 0.08646 0.00320 -0.01733 -0.04012 68 3PY -0.01212 -0.00215 -0.13289 -0.06111 0.01254 69 3PZ 0.06069 -0.11414 0.03284 -0.01014 -0.01887 70 4XX 0.00130 -0.00941 -0.00760 0.00246 0.00620 71 4YY 0.00038 0.00084 0.01218 0.00278 0.00399 72 4ZZ 0.00066 0.00559 -0.00678 -0.00717 -0.00915 73 4XY 0.00981 0.01125 0.00067 0.00033 -0.00312 74 4XZ 0.00982 0.00252 0.00308 -0.00570 -0.01276 75 4YZ 0.01006 -0.01132 -0.00382 -0.00204 -0.00325 76 6 C 1S 0.01043 0.00118 0.00072 0.01248 0.01316 77 2S -0.02696 0.00313 -0.00765 -0.02322 -0.02809 78 2PX 0.08863 -0.10026 -0.06198 0.12502 0.25642 79 2PY 0.05357 -0.02349 0.18182 0.07743 0.08081 80 2PZ -0.10172 0.23177 -0.05580 0.04046 0.15999 81 3S -0.02195 -0.05077 0.02049 -0.06289 -0.04142 82 3PX 0.04270 -0.04287 -0.02755 0.07269 0.19394 83 3PY 0.01134 0.02971 0.04897 0.05953 0.02271 84 3PZ -0.03861 0.09630 -0.02302 0.03570 0.14704 85 4XX 0.00064 -0.00142 -0.00777 0.01107 0.00723 86 4YY 0.00225 -0.00268 0.02072 0.00379 0.00184 87 4ZZ -0.00156 0.00579 -0.00930 -0.01078 -0.00813 88 4XY -0.00278 0.00455 -0.00177 -0.00378 -0.00203 89 4XZ 0.00614 0.00381 0.00470 0.00194 -0.00293 90 4YZ 0.00326 -0.00689 -0.00267 -0.00447 -0.00138 91 7 H 1S -0.05628 0.12072 -0.06928 -0.02891 -0.02584 92 2S -0.06642 0.15112 -0.08111 -0.03231 -0.05062 93 8 H 1S 0.05628 -0.12071 -0.06930 -0.02891 0.02584 94 2S 0.06642 -0.15112 -0.08112 -0.03231 0.05062 95 9 H 1S -0.02693 0.02560 0.15224 0.03722 -0.02188 96 2S -0.04165 0.03570 0.16879 0.04308 -0.05193 97 10 H 1S 0.06152 0.13920 -0.06450 0.01832 -0.06722 98 2S 0.01786 0.12496 -0.06739 0.04702 -0.11833 99 11 H 1S -0.06152 -0.13919 -0.06453 0.01832 0.06722 100 2S -0.01786 -0.12495 -0.06741 0.04701 0.11833 101 12 H 1S 0.02693 -0.02562 0.15224 0.03722 0.02189 102 2S 0.04164 -0.03572 0.16879 0.04308 0.05193 103 13 H 1S 0.14063 -0.00337 -0.03761 -0.04875 -0.08657 104 2S 0.14963 0.00229 -0.04294 -0.04232 -0.10181 105 14 H 1S -0.14063 0.00338 -0.03762 -0.04875 0.08657 106 2S -0.14963 -0.00228 -0.04295 -0.04232 0.10180 107 15 C 1S 0.00000 0.00000 0.00483 -0.00072 0.00000 108 2S 0.00000 0.00000 -0.01383 0.00373 0.00000 109 2PX 0.00000 0.00000 0.03287 -0.07148 0.00000 110 2PY -0.01504 0.00164 0.00000 0.00000 0.00729 111 2PZ 0.00000 0.00000 0.08194 -0.11324 0.00000 112 3S 0.00000 0.00000 -0.01435 0.00064 0.00000 113 3PX 0.00000 0.00000 0.00509 -0.00276 0.00000 114 3PY 0.01074 0.00629 0.00000 0.00000 0.01240 115 3PZ 0.00000 0.00000 0.02067 -0.01323 0.00000 116 4XX 0.00000 0.00000 -0.00861 0.01578 0.00000 117 4YY 0.00000 0.00000 -0.00006 0.00385 0.00000 118 4ZZ 0.00000 0.00000 0.00936 -0.02004 0.00000 119 4XY 0.00912 0.00346 0.00000 0.00000 0.00582 120 4XZ 0.00000 0.00000 0.00054 0.00058 0.00000 121 4YZ 0.01719 0.00728 0.00000 0.00000 0.00599 122 16 C 1S 0.00394 0.00532 0.00345 -0.01309 0.00047 123 2S -0.01439 -0.00844 -0.00539 0.03296 -0.00361 124 2PX -0.06826 -0.04151 -0.04074 0.03639 0.07531 125 2PY 0.02131 0.01540 0.07046 -0.02276 0.01352 126 2PZ -0.03286 -0.00484 -0.01753 -0.00901 0.10138 127 3S 0.03890 -0.03293 -0.01008 0.03755 -0.00178 128 3PX -0.06158 -0.01581 -0.02908 0.01482 0.08052 129 3PY 0.04197 0.00391 0.02061 -0.01828 -0.01803 130 3PZ -0.00483 -0.02485 -0.01761 0.00808 0.07061 131 4XX 0.01180 0.00671 0.00324 -0.01368 0.00967 132 4YY -0.00249 -0.00149 0.00236 0.00225 -0.00210 133 4ZZ -0.00724 -0.00410 -0.00537 0.00947 -0.00514 134 4XY 0.00318 0.00175 -0.00108 -0.00084 -0.00517 135 4XZ 0.00162 -0.00018 0.00258 -0.00409 0.00505 136 4YZ 0.00352 0.00072 -0.00251 0.00145 -0.00741 137 17 C 1S -0.00394 -0.00532 0.00345 -0.01309 -0.00047 138 2S 0.01439 0.00845 -0.00539 0.03296 0.00361 139 2PX 0.06826 0.04151 -0.04074 0.03639 -0.07532 140 2PY 0.02131 0.01540 -0.07046 0.02276 0.01352 141 2PZ 0.03286 0.00484 -0.01753 -0.00901 -0.10139 142 3S -0.03890 0.03293 -0.01008 0.03755 0.00177 143 3PX 0.06158 0.01582 -0.02908 0.01482 -0.08053 144 3PY 0.04197 0.00391 -0.02061 0.01828 -0.01803 145 3PZ 0.00483 0.02485 -0.01761 0.00808 -0.07062 146 4XX -0.01180 -0.00671 0.00323 -0.01368 -0.00967 147 4YY 0.00249 0.00149 0.00236 0.00225 0.00210 148 4ZZ 0.00724 0.00410 -0.00537 0.00947 0.00514 149 4XY 0.00318 0.00175 0.00108 0.00084 -0.00516 150 4XZ -0.00162 0.00018 0.00258 -0.00409 -0.00505 151 4YZ 0.00352 0.00072 0.00251 -0.00145 -0.00741 152 18 H 1S 0.00000 0.00000 0.05915 -0.10843 0.00000 153 2S 0.00000 0.00000 0.07279 -0.14170 -0.00001 154 19 H 1S -0.01309 -0.01728 -0.03247 0.04365 -0.06508 155 2S -0.00242 -0.01914 -0.03077 0.03396 -0.06999 156 20 H 1S 0.01309 0.01729 -0.03247 0.04365 0.06508 157 2S 0.00241 0.01915 -0.03077 0.03396 0.06999 158 21 H 1S 0.00000 0.00000 -0.04717 0.08541 0.00000 159 2S 0.00000 0.00000 -0.05043 0.11071 0.00001 160 22 O 1S -0.00439 -0.00152 -0.00621 0.00387 0.00232 161 2S 0.00430 0.00463 0.01234 -0.00699 -0.00183 162 2PX 0.17414 0.06325 -0.06114 0.10720 0.07183 163 2PY 0.09825 0.05450 0.03247 -0.00043 0.00156 164 2PZ 0.24697 0.11976 -0.06057 0.16848 0.07460 165 3S 0.03608 -0.00559 0.02748 -0.02267 -0.02600 166 3PX 0.13312 0.04310 -0.04360 0.07749 0.06052 167 3PY 0.06151 0.03941 0.02185 0.00021 0.00651 168 3PZ 0.16747 0.08426 -0.04202 0.12560 0.06612 169 4XX 0.00450 0.00313 -0.00401 0.00662 -0.00115 170 4YY -0.00625 -0.00197 -0.00166 0.00057 0.00071 171 4ZZ -0.00321 -0.00022 0.00221 -0.00374 0.00434 172 4XY -0.00615 -0.00148 0.00085 -0.00285 -0.00244 173 4XZ 0.00109 0.00036 -0.00081 0.00131 -0.00043 174 4YZ -0.01005 -0.00528 0.00312 -0.00633 -0.00287 175 23 O 1S 0.00439 0.00152 -0.00621 0.00387 -0.00232 176 2S -0.00430 -0.00463 0.01234 -0.00699 0.00183 177 2PX -0.17415 -0.06325 -0.06114 0.10720 -0.07181 178 2PY 0.09825 0.05451 -0.03246 0.00042 0.00156 179 2PZ -0.24697 -0.11976 -0.06059 0.16848 -0.07458 180 3S -0.03608 0.00559 0.02748 -0.02267 0.02600 181 3PX -0.13313 -0.04310 -0.04360 0.07749 -0.06050 182 3PY 0.06151 0.03942 -0.02184 -0.00021 0.00651 183 3PZ -0.16747 -0.08425 -0.04203 0.12560 -0.06611 184 4XX -0.00450 -0.00313 -0.00401 0.00662 0.00115 185 4YY 0.00625 0.00197 -0.00166 0.00057 -0.00071 186 4ZZ 0.00321 0.00022 0.00221 -0.00374 -0.00434 187 4XY -0.00615 -0.00148 -0.00085 0.00285 -0.00244 188 4XZ -0.00109 -0.00036 -0.00081 0.00131 0.00043 189 4YZ -0.01005 -0.00528 -0.00312 0.00633 -0.00287 41 42 43 44 45 O V V V V Eigenvalues -- -0.18560 -0.00699 0.01019 0.08378 0.11232 1 1 C 1S 0.00195 -0.00460 -0.00662 0.02285 -0.02044 2 2S -0.00985 0.00465 0.01375 -0.05095 0.02314 3 2PX 0.15347 -0.12043 0.20341 -0.03993 0.07621 4 2PY 0.02329 -0.03531 0.00585 -0.03602 0.05712 5 2PZ 0.11255 -0.10315 0.15778 0.02655 -0.09756 6 3S -0.02460 0.03352 -0.00390 -0.24358 0.42067 7 3PX 0.12909 -0.17273 0.30028 -0.08830 0.15507 8 3PY 0.00710 -0.02148 0.06006 -0.06201 0.11732 9 3PZ 0.08404 -0.14992 0.17051 0.09422 -0.19303 10 4XX 0.00252 -0.01610 -0.00011 -0.00056 0.00123 11 4YY -0.00188 0.00378 -0.00175 -0.00387 -0.00097 12 4ZZ -0.00269 0.00941 -0.00076 0.00528 -0.00295 13 4XY -0.00496 0.00830 0.01074 0.00493 -0.00732 14 4XZ 0.00085 0.00539 0.00099 -0.00230 0.00122 15 4YZ -0.00559 0.01374 0.00904 -0.00596 0.00807 16 2 C 1S 0.00195 -0.00460 0.00662 0.02285 -0.02044 17 2S -0.00985 0.00465 -0.01375 -0.05095 0.02314 18 2PX 0.15346 -0.12041 -0.20342 -0.03994 0.07622 19 2PY -0.02329 0.03531 0.00585 0.03602 -0.05711 20 2PZ 0.11254 -0.10313 -0.15779 0.02655 -0.09756 21 3S -0.02459 0.03352 0.00390 -0.24358 0.42065 22 3PX 0.12908 -0.17270 -0.30029 -0.08829 0.15507 23 3PY -0.00710 0.02147 0.06006 0.06201 -0.11732 24 3PZ 0.08403 -0.14991 -0.17052 0.09421 -0.19303 25 4XX 0.00252 -0.01610 0.00010 -0.00056 0.00123 26 4YY -0.00188 0.00378 0.00175 -0.00387 -0.00097 27 4ZZ -0.00269 0.00941 0.00076 0.00528 -0.00295 28 4XY 0.00496 -0.00830 0.01074 -0.00493 0.00732 29 4XZ 0.00085 0.00539 -0.00099 -0.00230 0.00122 30 4YZ 0.00559 -0.01374 0.00904 0.00596 -0.00807 31 3 C 1S 0.00472 0.02868 -0.00880 0.02362 -0.04189 32 2S -0.02221 -0.05168 0.04382 -0.04894 0.06231 33 2PX -0.03707 0.29284 -0.00770 0.00129 -0.03379 34 2PY 0.00638 -0.09312 0.01677 0.07479 -0.08532 35 2PZ -0.02565 0.18157 -0.01167 0.00263 -0.01082 36 3S 0.04326 -0.21347 -0.08589 -0.26258 0.59801 37 3PX -0.01518 0.37271 -0.00125 -0.00397 -0.12811 38 3PY 0.03919 -0.10309 -0.02706 0.16934 -0.23977 39 3PZ -0.04474 0.21540 -0.03728 0.04883 0.06926 40 4XX 0.01126 -0.00018 -0.01993 -0.00062 -0.00327 41 4YY -0.00295 0.00195 0.00423 0.00824 -0.00911 42 4ZZ -0.00571 0.00746 0.01353 -0.00332 0.00293 43 4XY -0.00115 -0.00500 0.00004 0.00251 -0.00055 44 4XZ 0.00523 0.00385 -0.00879 0.00656 0.00084 45 4YZ 0.00006 -0.00467 0.00027 0.00384 0.00171 46 4 C 1S 0.01157 -0.01411 -0.01542 0.05242 0.00920 47 2S -0.02704 0.02558 0.03231 -0.07737 -0.00301 48 2PX -0.00740 0.01029 0.02051 0.09419 0.10187 49 2PY -0.00756 0.01790 -0.02726 0.05154 0.02530 50 2PZ 0.04302 -0.02628 -0.05413 -0.08095 0.00529 51 3S -0.03914 0.12991 0.14380 -0.73830 -0.26468 52 3PX -0.01336 0.01222 0.05388 0.18145 0.21137 53 3PY -0.00261 -0.01352 -0.04797 0.19721 0.15834 54 3PZ 0.03374 -0.01984 -0.04197 -0.16098 0.07288 55 4XX 0.00183 0.00650 -0.00244 0.01073 0.00045 56 4YY -0.00255 0.00565 0.00081 -0.00368 -0.00067 57 4ZZ 0.00267 -0.01496 0.00075 0.00228 -0.00187 58 4XY -0.00040 -0.00587 -0.00101 0.00322 0.00055 59 4XZ 0.00393 -0.01388 -0.00244 -0.00026 -0.00083 60 4YZ -0.00100 0.00202 0.00226 -0.00681 0.00837 61 5 C 1S 0.01157 -0.01411 0.01542 0.05242 0.00920 62 2S -0.02704 0.02558 -0.03231 -0.07737 -0.00301 63 2PX -0.00741 0.01029 -0.02051 0.09419 0.10187 64 2PY 0.00756 -0.01789 -0.02726 -0.05154 -0.02530 65 2PZ 0.04302 -0.02629 0.05413 -0.08096 0.00528 66 3S -0.03915 0.12992 -0.14379 -0.73832 -0.26470 67 3PX -0.01336 0.01223 -0.05388 0.18146 0.21138 68 3PY 0.00261 0.01353 -0.04797 -0.19721 -0.15834 69 3PZ 0.03374 -0.01985 0.04196 -0.16101 0.07286 70 4XX 0.00183 0.00650 0.00244 0.01073 0.00045 71 4YY -0.00255 0.00565 -0.00081 -0.00369 -0.00067 72 4ZZ 0.00267 -0.01496 -0.00076 0.00228 -0.00187 73 4XY 0.00040 0.00587 -0.00101 -0.00322 -0.00055 74 4XZ 0.00393 -0.01388 0.00244 -0.00026 -0.00083 75 4YZ 0.00100 -0.00202 0.00226 0.00681 -0.00837 76 6 C 1S 0.00472 0.02868 0.00880 0.02362 -0.04189 77 2S -0.02221 -0.05167 -0.04382 -0.04894 0.06231 78 2PX -0.03705 0.29284 0.00773 0.00129 -0.03379 79 2PY -0.00638 0.09312 0.01678 -0.07479 0.08532 80 2PZ -0.02563 0.18157 0.01169 0.00262 -0.01081 81 3S 0.04325 -0.21348 0.08587 -0.26259 0.59801 82 3PX -0.01517 0.37271 0.00129 -0.00397 -0.12813 83 3PY -0.03919 0.10310 -0.02705 -0.16934 0.23977 84 3PZ -0.04473 0.21540 0.03730 0.04883 0.06927 85 4XX 0.01126 -0.00019 0.01993 -0.00062 -0.00327 86 4YY -0.00295 0.00195 -0.00423 0.00824 -0.00911 87 4ZZ -0.00571 0.00746 -0.01353 -0.00332 0.00293 88 4XY 0.00115 0.00500 0.00004 -0.00251 0.00055 89 4XZ 0.00523 0.00384 0.00879 0.00656 0.00084 90 4YZ -0.00006 0.00467 0.00027 -0.00384 -0.00171 91 7 H 1S 0.00340 -0.02130 -0.01092 0.02993 -0.02733 92 2S 0.00397 -0.06247 -0.06752 0.37812 -0.61048 93 8 H 1S 0.00340 -0.02131 0.01091 0.02993 -0.02733 94 2S 0.00397 -0.06248 0.06750 0.37811 -0.61048 95 9 H 1S -0.01303 0.01335 0.01335 0.02888 -0.02885 96 2S -0.00689 0.05554 0.01293 0.42883 -0.62084 97 10 H 1S -0.00223 0.02836 -0.00550 0.03639 0.00738 98 2S -0.02553 0.04312 -0.00649 0.67006 0.35009 99 11 H 1S -0.00222 0.02835 0.00550 0.03639 0.00738 100 2S -0.02552 0.04312 0.00650 0.67008 0.35011 101 12 H 1S -0.01303 0.01335 -0.01335 0.02888 -0.02885 102 2S -0.00689 0.05554 -0.01293 0.42884 -0.62085 103 13 H 1S 0.01965 -0.06087 0.01283 0.01247 -0.01631 104 2S 0.04988 -0.20038 0.09826 0.34458 -0.17670 105 14 H 1S 0.01965 -0.06087 -0.01284 0.01247 -0.01632 106 2S 0.04989 -0.20037 -0.09828 0.34457 -0.17672 107 15 C 1S -0.00840 0.00000 0.00000 0.05871 0.04878 108 2S 0.02050 0.00329 0.00000 -0.10857 -0.07177 109 2PX 0.07240 0.00106 0.00000 0.05299 0.05275 110 2PY 0.00000 0.00000 0.06582 0.00000 0.00000 111 2PZ 0.02597 -0.02194 0.00000 -0.19214 -0.16878 112 3S 0.04373 -0.02254 0.00000 -0.80839 -0.80853 113 3PX 0.01173 0.01859 0.00000 0.17761 0.14522 114 3PY 0.00000 -0.00001 0.11943 0.00001 0.00001 115 3PZ -0.05637 -0.04086 0.00000 -0.48225 -0.43514 116 4XX -0.01838 -0.00011 0.00000 0.01076 0.00338 117 4YY -0.00230 -0.00338 0.00000 0.00118 -0.00217 118 4ZZ 0.01983 0.00331 0.00000 0.00491 0.00639 119 4XY 0.00000 0.00000 -0.01363 0.00000 0.00000 120 4XZ 0.00045 0.00052 0.00000 0.00823 0.00557 121 4YZ 0.00000 0.00000 -0.00627 0.00000 0.00000 122 16 C 1S -0.01561 -0.01167 0.05212 0.01390 -0.00960 123 2S 0.02637 0.03784 -0.11165 -0.04164 0.00097 124 2PX 0.22000 0.15870 -0.23730 -0.01564 0.06761 125 2PY -0.08633 -0.03384 0.07431 0.03085 -0.05607 126 2PZ 0.17709 0.09908 -0.20976 0.03480 -0.11983 127 3S 0.11584 -0.00282 -0.27486 -0.14089 0.29368 128 3PX 0.14337 0.20307 -0.31509 -0.07922 0.14865 129 3PY -0.07613 -0.00778 0.23626 0.04992 -0.12632 130 3PZ 0.13606 0.08001 -0.11706 0.10459 -0.27846 131 4XX 0.00838 -0.00552 0.00422 0.00188 0.00358 132 4YY -0.00091 0.00097 0.00407 -0.00079 -0.00558 133 4ZZ -0.01024 -0.00183 0.00642 0.00347 -0.00128 134 4XY 0.01162 0.01368 0.01144 -0.00153 0.00287 135 4XZ 0.00281 -0.01141 -0.00575 0.00155 -0.00413 136 4YZ 0.01258 0.01066 0.00816 0.00258 -0.01277 137 17 C 1S -0.01561 -0.01166 -0.05213 0.01390 -0.00960 138 2S 0.02637 0.03783 0.11166 -0.04164 0.00097 139 2PX 0.22000 0.15867 0.23732 -0.01564 0.06761 140 2PY 0.08632 0.03383 0.07431 -0.03085 0.05607 141 2PZ 0.17709 0.09906 0.20978 0.03480 -0.11984 142 3S 0.11585 -0.00284 0.27487 -0.14090 0.29368 143 3PX 0.14336 0.20304 0.31510 -0.07923 0.14864 144 3PY 0.07612 0.00775 0.23626 -0.04993 0.12633 145 3PZ 0.13605 0.08001 0.11708 0.10460 -0.27846 146 4XX 0.00838 -0.00551 -0.00422 0.00188 0.00358 147 4YY -0.00091 0.00097 -0.00407 -0.00079 -0.00558 148 4ZZ -0.01024 -0.00183 -0.00641 0.00347 -0.00128 149 4XY -0.01162 -0.01369 0.01144 0.00153 -0.00287 150 4XZ 0.00281 -0.01141 0.00575 0.00155 -0.00413 151 4YZ -0.01258 -0.01066 0.00816 -0.00258 0.01277 152 18 H 1S 0.08858 0.01615 0.00000 0.02914 0.04104 153 2S 0.16273 0.08589 0.00001 0.84952 0.84393 154 19 H 1S -0.00985 0.02414 0.06324 0.00917 -0.03359 155 2S -0.04018 0.05982 0.35373 0.28062 -0.60417 156 20 H 1S -0.00985 0.02415 -0.06324 0.00918 -0.03359 157 2S -0.04018 0.05986 -0.35372 0.28064 -0.60418 158 21 H 1S -0.09039 -0.00387 0.00000 0.03350 0.02901 159 2S -0.14836 -0.00360 0.00000 0.46153 0.42998 160 22 O 1S 0.00598 -0.00574 0.01756 0.01155 -0.00907 161 2S -0.00548 0.00824 -0.04328 -0.03192 0.00992 162 2PX -0.18581 -0.01613 -0.12505 -0.01591 0.06026 163 2PY -0.02664 -0.01482 0.01593 0.01248 -0.02722 164 2PZ -0.21709 -0.08072 -0.08197 0.00357 -0.00485 165 3S -0.06523 0.07381 -0.11197 -0.11298 0.12141 166 3PX -0.15619 -0.00519 -0.10860 -0.03682 0.07009 167 3PY -0.01187 -0.02619 0.00822 0.07043 -0.05137 168 3PZ -0.17792 -0.09788 -0.09529 0.04663 0.02234 169 4XX 0.00410 0.00187 0.01483 -0.00271 -0.00460 170 4YY 0.00348 -0.00090 -0.00163 -0.00300 -0.00383 171 4ZZ 0.00104 -0.00593 -0.00724 -0.00046 -0.00323 172 4XY 0.00705 -0.00053 0.00326 0.00059 0.00353 173 4XZ 0.00027 -0.00120 -0.00156 0.01156 0.00506 174 4YZ 0.00294 -0.00122 0.00246 0.00326 0.00296 175 23 O 1S 0.00598 -0.00574 -0.01756 0.01155 -0.00907 176 2S -0.00548 0.00823 0.04328 -0.03192 0.00993 177 2PX -0.18582 -0.01614 0.12505 -0.01592 0.06025 178 2PY 0.02664 0.01482 0.01593 -0.01248 0.02722 179 2PZ -0.21710 -0.08073 0.08196 0.00357 -0.00485 180 3S -0.06523 0.07380 0.11198 -0.11297 0.12142 181 3PX -0.15619 -0.00521 0.10859 -0.03682 0.07008 182 3PY 0.01188 0.02619 0.00822 -0.07043 0.05137 183 3PZ -0.17792 -0.09789 0.09528 0.04663 0.02234 184 4XX 0.00410 0.00187 -0.01483 -0.00271 -0.00460 185 4YY 0.00348 -0.00090 0.00163 -0.00300 -0.00383 186 4ZZ 0.00104 -0.00593 0.00724 -0.00046 -0.00323 187 4XY -0.00705 0.00053 0.00326 -0.00059 -0.00354 188 4XZ 0.00027 -0.00120 0.00156 0.01156 0.00506 189 4YZ -0.00294 0.00122 0.00246 -0.00326 -0.00296 46 47 48 49 50 V V V V V Eigenvalues -- 0.11913 0.12247 0.12316 0.13517 0.14425 1 1 C 1S 0.01471 -0.01344 -0.03545 -0.01152 0.01725 2 2S -0.02928 0.03710 0.05296 0.02269 -0.04593 3 2PX -0.20624 0.06456 0.03814 0.04251 0.01094 4 2PY 0.01533 -0.01217 0.04986 0.01763 -0.02897 5 2PZ -0.17833 0.06588 -0.10326 0.00500 0.07775 6 3S -0.08412 0.07668 0.54933 0.13721 -0.28569 7 3PX -0.36933 0.17350 0.09591 0.06047 -0.04034 8 3PY -0.00933 0.03600 0.19848 0.03517 -0.12841 9 3PZ -0.25883 0.09460 -0.21214 -0.02195 0.10546 10 4XX -0.00910 0.00564 -0.00671 -0.00170 0.00608 11 4YY 0.00704 -0.00491 0.00454 0.00139 -0.00422 12 4ZZ 0.00669 -0.00220 -0.00542 -0.00081 -0.00409 13 4XY -0.00974 0.00311 -0.00605 -0.00813 0.00192 14 4XZ 0.00164 -0.00401 0.00391 0.00211 0.00251 15 4YZ -0.00497 0.00068 0.00978 -0.00140 -0.00318 16 2 C 1S -0.01471 0.01343 -0.03545 -0.01152 0.01726 17 2S 0.02927 -0.03708 0.05298 0.02270 -0.04594 18 2PX 0.20623 -0.06454 0.03820 0.04251 0.01091 19 2PY 0.01534 -0.01219 -0.04985 -0.01764 0.02899 20 2PZ 0.17835 -0.06592 -0.10320 0.00498 0.07777 21 3S 0.08405 -0.07647 0.54937 0.13726 -0.28591 22 3PX 0.36931 -0.17347 0.09605 0.06048 -0.04045 23 3PY -0.00931 0.03592 -0.19849 -0.03516 0.12838 24 3PZ 0.25887 -0.09468 -0.21206 -0.02199 0.10554 25 4XX 0.00910 -0.00564 -0.00671 -0.00170 0.00608 26 4YY -0.00704 0.00492 0.00453 0.00139 -0.00422 27 4ZZ -0.00669 0.00220 -0.00542 -0.00081 -0.00409 28 4XY -0.00974 0.00311 0.00605 0.00813 -0.00192 29 4XZ -0.00164 0.00401 0.00391 0.00211 0.00251 30 4YZ -0.00497 0.00068 -0.00978 0.00140 0.00318 31 3 C 1S -0.01241 0.01043 0.00405 -0.00801 -0.01005 32 2S 0.02187 -0.01823 -0.01701 0.02438 0.01469 33 2PX -0.20664 0.13163 0.04454 -0.02641 -0.03315 34 2PY 0.06482 -0.07514 -0.06375 -0.02524 0.00248 35 2PZ -0.09822 0.06755 -0.02120 -0.02583 0.01732 36 3S 0.13121 -0.09172 -0.00526 0.04219 0.14311 37 3PX -0.26566 0.25704 0.07830 -0.11184 0.05455 38 3PY 0.13965 -0.21356 -0.13775 -0.09396 -0.01953 39 3PZ -0.14776 0.00963 0.04878 -0.18963 -0.00186 40 4XX 0.00751 -0.00132 0.00520 -0.00037 -0.00387 41 4YY 0.00257 -0.00273 -0.00864 -0.00710 0.00507 42 4ZZ -0.01373 0.00790 0.00157 0.00657 -0.00245 43 4XY 0.00786 -0.00717 -0.01056 0.00574 -0.00282 44 4XZ -0.00241 0.00426 -0.00487 -0.00070 -0.00048 45 4YZ 0.00725 -0.00382 0.00075 0.00433 -0.00346 46 4 C 1S -0.00825 -0.02080 0.01871 -0.03954 -0.00565 47 2S 0.00743 0.00493 -0.01716 0.04340 0.00174 48 2PX -0.04527 -0.02644 -0.11925 0.11344 -0.09433 49 2PY 0.05813 -0.05296 0.02590 -0.06766 -0.01918 50 2PZ 0.02606 0.01169 -0.14054 0.08817 0.01753 51 3S 0.13081 0.44703 -0.40106 0.70589 0.14611 52 3PX -0.14919 -0.08566 -0.34152 0.30780 -0.28083 53 3PY 0.15448 -0.10064 0.13724 -0.19202 -0.03921 54 3PZ 0.04694 -0.01267 -0.36405 0.20465 0.03930 55 4XX -0.00360 -0.00003 0.00592 -0.00341 -0.00483 56 4YY -0.00718 0.00134 0.00094 -0.00205 -0.00170 57 4ZZ 0.00924 -0.00876 -0.00218 -0.00287 0.00399 58 4XY 0.00508 -0.00122 -0.01139 0.00253 -0.00577 59 4XZ 0.00816 -0.00741 0.01280 0.00043 -0.00028 60 4YZ -0.00192 0.00064 -0.00399 0.00403 0.00053 61 5 C 1S 0.00825 0.02081 0.01870 -0.03954 -0.00565 62 2S -0.00743 -0.00494 -0.01716 0.04340 0.00173 63 2PX 0.04529 0.02638 -0.11926 0.11345 -0.09434 64 2PY 0.05814 -0.05298 -0.02586 0.06765 0.01920 65 2PZ -0.02603 -0.01175 -0.14054 0.08816 0.01756 66 3S -0.13072 -0.44723 -0.40091 0.70586 0.14620 67 3PX 0.14925 0.08549 -0.34155 0.30781 -0.28088 68 3PY 0.15451 -0.10070 -0.13715 0.19200 0.03918 69 3PZ -0.04687 0.01250 -0.36406 0.20464 0.03935 70 4XX 0.00360 0.00004 0.00592 -0.00341 -0.00483 71 4YY 0.00718 -0.00134 0.00094 -0.00205 -0.00170 72 4ZZ -0.00924 0.00876 -0.00219 -0.00287 0.00399 73 4XY 0.00508 -0.00122 0.01139 -0.00253 0.00577 74 4XZ -0.00816 0.00741 0.01280 0.00043 -0.00028 75 4YZ -0.00192 0.00064 0.00399 -0.00403 -0.00053 76 6 C 1S 0.01241 -0.01043 0.00405 -0.00801 -0.01007 77 2S -0.02187 0.01822 -0.01703 0.02438 0.01472 78 2PX 0.20663 -0.13161 0.04462 -0.02642 -0.03318 79 2PY 0.06481 -0.07511 0.06379 0.02521 -0.00240 80 2PZ 0.09823 -0.06756 -0.02116 -0.02583 0.01730 81 3S -0.13121 0.09170 -0.00531 0.04212 0.14345 82 3PX 0.26564 -0.25699 0.07844 -0.11185 0.05449 83 3PY 0.13963 -0.21352 0.13787 0.09390 0.01977 84 3PZ 0.14775 -0.00961 0.04881 -0.18964 -0.00186 85 4XX -0.00751 0.00132 0.00520 -0.00037 -0.00387 86 4YY -0.00257 0.00273 -0.00864 -0.00710 0.00507 87 4ZZ 0.01373 -0.00790 0.00157 0.00657 -0.00245 88 4XY 0.00786 -0.00716 0.01057 -0.00574 0.00282 89 4XZ 0.00241 -0.00426 -0.00486 -0.00070 -0.00048 90 4YZ 0.00725 -0.00382 -0.00074 -0.00433 0.00346 91 7 H 1S 0.01556 0.00638 -0.05053 -0.02521 0.00284 92 2S 0.04244 -0.04731 -0.70999 -0.19439 0.35518 93 8 H 1S -0.01555 -0.00640 -0.05053 -0.02521 0.00284 94 2S -0.04234 0.04704 -0.71001 -0.19445 0.35540 95 9 H 1S 0.01967 -0.01722 -0.02651 -0.02468 0.01511 96 2S 0.09645 -0.19941 -0.19801 -0.22098 -0.05281 97 10 H 1S -0.02403 0.01409 -0.03251 0.00355 -0.02960 98 2S -0.18898 -0.24189 -0.18531 -0.04950 -0.45203 99 11 H 1S 0.02404 -0.01410 -0.03250 0.00354 -0.02961 100 2S 0.18900 0.24180 -0.18539 -0.04947 -0.45214 101 12 H 1S -0.01967 0.01721 -0.02652 -0.02468 0.01510 102 2S -0.09642 0.19935 -0.19812 -0.22086 -0.05325 103 13 H 1S -0.04440 0.03863 0.06345 -0.02405 0.01625 104 2S -0.19352 0.20958 0.88255 -0.81912 0.17504 105 14 H 1S 0.04438 -0.03860 0.06347 -0.02406 0.01625 106 2S 0.19336 -0.20916 0.88266 -0.81914 0.17506 107 15 C 1S 0.00000 0.00000 0.00922 0.05794 0.06460 108 2S 0.00000 0.00000 -0.04200 -0.09732 -0.09103 109 2PX 0.00000 0.00002 0.09022 0.07808 0.24180 110 2PY 0.22831 0.34642 -0.00005 0.00001 -0.00001 111 2PZ 0.00000 0.00001 0.03444 0.03546 0.13730 112 3S -0.00002 0.00002 -0.08874 -0.79190 -0.99108 113 3PX -0.00002 0.00007 0.33420 0.13275 0.61798 114 3PY 0.62511 0.88981 -0.00013 0.00002 -0.00002 115 3PZ 0.00000 0.00003 0.07141 0.07105 0.31608 116 4XX 0.00000 0.00000 0.00474 0.00394 0.01355 117 4YY 0.00000 0.00000 0.00131 0.00812 -0.00621 118 4ZZ 0.00000 0.00000 -0.00352 0.00275 0.00523 119 4XY -0.01714 -0.01392 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00444 -0.00494 -0.00598 121 4YZ 0.01048 0.02309 0.00000 0.00000 0.00000 122 16 C 1S 0.04794 -0.00481 0.00435 0.02436 0.04021 123 2S -0.10826 0.00053 -0.02723 -0.02954 -0.08335 124 2PX -0.06041 0.25263 -0.06304 -0.06633 0.11904 125 2PY 0.09224 0.04984 0.00974 0.09774 0.05144 126 2PZ -0.10917 0.05718 0.08010 0.17975 -0.10589 127 3S -0.37760 0.13602 -0.07341 -0.54026 -0.46706 128 3PX -0.18582 0.44222 -0.14774 -0.22743 0.28783 129 3PY 0.15637 0.23144 0.04385 0.24369 0.21886 130 3PZ 0.02104 0.07072 0.19162 0.38937 -0.20624 131 4XX 0.00753 -0.00244 -0.00621 0.00002 0.00834 132 4YY -0.00150 -0.00781 -0.00050 0.00530 -0.01141 133 4ZZ 0.00679 0.00147 0.00663 0.00097 0.00473 134 4XY -0.00014 -0.01185 -0.00432 -0.01083 0.01372 135 4XZ -0.00121 -0.00907 0.00759 -0.00082 -0.01366 136 4YZ 0.00254 -0.00011 0.01331 0.01507 -0.01041 137 17 C 1S -0.04793 0.00482 0.00434 0.02436 0.04020 138 2S 0.10826 -0.00054 -0.02721 -0.02955 -0.08333 139 2PX 0.06042 -0.25265 -0.06293 -0.06635 0.11903 140 2PY 0.09223 0.04984 -0.00975 -0.09775 -0.05143 141 2PZ 0.10916 -0.05715 0.08014 0.17975 -0.10594 142 3S 0.37758 -0.13604 -0.07328 -0.54034 -0.46682 143 3PX 0.18585 -0.44226 -0.14754 -0.22747 0.28783 144 3PY 0.15636 0.23143 -0.04393 -0.24368 -0.21888 145 3PZ -0.02106 -0.07066 0.19164 0.38939 -0.20641 146 4XX -0.00752 0.00244 -0.00621 0.00002 0.00834 147 4YY 0.00150 0.00781 -0.00050 0.00530 -0.01141 148 4ZZ -0.00679 -0.00147 0.00663 0.00097 0.00473 149 4XY -0.00014 -0.01185 0.00433 0.01083 -0.01372 150 4XZ 0.00121 0.00907 0.00759 -0.00081 -0.01365 151 4YZ 0.00254 -0.00012 -0.01331 -0.01507 0.01041 152 18 H 1S 0.00000 0.00000 -0.01377 0.00902 0.02089 153 2S 0.00002 -0.00005 -0.15929 0.24449 -0.09558 154 19 H 1S 0.04686 0.03229 0.03819 0.05617 -0.00896 155 2S 0.41308 0.11776 0.35420 0.94727 0.08394 156 20 H 1S -0.04686 -0.03228 0.03819 0.05617 -0.00896 157 2S -0.41309 -0.11766 0.35418 0.94733 0.08370 158 21 H 1S 0.00000 0.00000 0.01442 0.00763 0.07891 159 2S -0.00001 0.00008 0.46062 0.59980 1.41902 160 22 O 1S 0.04228 0.06535 0.01858 0.00217 -0.04984 161 2S -0.06948 -0.08839 -0.03271 -0.01869 0.07547 162 2PX 0.00194 0.09457 -0.07725 -0.07938 0.09372 163 2PY 0.07140 0.08561 0.04928 -0.00009 -0.07174 164 2PZ -0.07571 -0.04188 0.01109 0.03753 -0.10705 165 3S -0.44660 -0.81407 -0.23649 -0.00216 0.59814 166 3PX 0.05146 0.13202 -0.12568 -0.14089 0.12566 167 3PY 0.13416 0.21679 0.10614 0.02036 -0.15248 168 3PZ -0.13526 -0.06365 0.01444 0.05123 -0.19971 169 4XX 0.02420 0.02281 0.00577 -0.00588 -0.02160 170 4YY 0.00312 0.01306 -0.00001 -0.00295 -0.01109 171 4ZZ 0.01340 0.03605 0.00574 -0.00764 -0.01768 172 4XY -0.00078 0.00036 -0.00395 -0.00725 -0.00875 173 4XZ -0.00909 -0.00781 0.00539 0.00309 0.00242 174 4YZ 0.00293 0.00178 -0.00258 0.00064 -0.00283 175 23 O 1S -0.04229 -0.06534 0.01861 0.00217 -0.04984 176 2S 0.06948 0.08837 -0.03274 -0.01868 0.07547 177 2PX -0.00192 -0.09460 -0.07722 -0.07939 0.09371 178 2PY 0.07141 0.08559 -0.04931 0.00009 0.07175 179 2PZ 0.07571 0.04188 0.01108 0.03753 -0.10707 180 3S 0.44666 0.81398 -0.23676 -0.00212 0.59810 181 3PX -0.05144 -0.13206 -0.12563 -0.14090 0.12564 182 3PY 0.13418 0.21674 -0.10621 -0.02036 0.15249 183 3PZ 0.13526 0.06365 0.01443 0.05123 -0.19974 184 4XX -0.02420 -0.02281 0.00578 -0.00588 -0.02160 185 4YY -0.00312 -0.01306 -0.00001 -0.00295 -0.01109 186 4ZZ -0.01341 -0.03605 0.00575 -0.00764 -0.01768 187 4XY -0.00078 0.00036 0.00395 0.00725 0.00874 188 4XZ 0.00909 0.00781 0.00538 0.00309 0.00242 189 4YZ 0.00293 0.00178 0.00258 -0.00064 0.00283 51 52 53 54 55 V V V V V Eigenvalues -- 0.14526 0.16394 0.17144 0.17765 0.19270 1 1 C 1S -0.02425 0.01341 0.03540 -0.04225 0.05795 2 2S 0.03791 0.03153 -0.03290 0.06380 -0.07420 3 2PX 0.06623 -0.07770 -0.04045 -0.02961 -0.07377 4 2PY 0.06667 -0.04459 -0.08610 -0.01235 -0.06308 5 2PZ -0.06128 0.00044 0.03380 -0.05977 0.06877 6 3S 0.58888 -0.40560 -0.73684 0.58839 -0.87180 7 3PX 0.25316 -0.05584 -0.05156 0.06335 -0.24379 8 3PY -0.06278 -0.14051 -0.35774 0.05293 -0.20163 9 3PZ -0.23344 0.02441 0.02640 -0.27865 0.43099 10 4XX -0.00007 -0.00263 -0.00019 0.00112 0.00857 11 4YY 0.00806 0.00632 -0.00049 -0.01160 0.00477 12 4ZZ -0.00483 0.00783 0.00684 0.00001 0.00218 13 4XY 0.00075 0.00554 0.00138 -0.00028 -0.00198 14 4XZ -0.00005 -0.00677 -0.00325 -0.00108 -0.00454 15 4YZ -0.00102 0.00217 0.00822 -0.00325 0.00261 16 2 C 1S 0.02425 0.01341 0.03540 0.04225 -0.05795 17 2S -0.03789 0.03153 -0.03290 -0.06380 0.07420 18 2PX -0.06623 -0.07770 -0.04045 0.02961 0.07377 19 2PY 0.06666 0.04459 0.08610 -0.01235 -0.06308 20 2PZ 0.06125 0.00045 0.03381 0.05977 -0.06877 21 3S -0.58877 -0.40559 -0.73686 -0.58836 0.87178 22 3PX -0.25314 -0.05585 -0.05157 -0.06335 0.24379 23 3PY -0.06284 0.14051 0.35774 0.05291 -0.20160 24 3PZ 0.23341 0.02442 0.02642 0.27865 -0.43099 25 4XX 0.00007 -0.00263 -0.00019 -0.00112 -0.00857 26 4YY -0.00806 0.00632 -0.00049 0.01160 -0.00477 27 4ZZ 0.00483 0.00783 0.00684 -0.00001 -0.00218 28 4XY 0.00076 -0.00554 -0.00138 -0.00028 -0.00198 29 4XZ 0.00005 -0.00677 -0.00325 0.00108 0.00453 30 4YZ -0.00102 -0.00218 -0.00822 -0.00325 0.00261 31 3 C 1S 0.04503 -0.01272 -0.08277 -0.00567 0.01577 32 2S -0.06344 0.01533 0.09999 0.03024 -0.05213 33 2PX 0.07403 0.05076 0.02174 0.03492 0.00215 34 2PY 0.20027 -0.00293 -0.07369 -0.05771 -0.07589 35 2PZ 0.04238 0.03330 0.10837 -0.03266 0.03257 36 3S -0.86608 0.25117 1.44154 -0.00779 0.00392 37 3PX 0.12917 0.09744 0.09353 0.07809 -0.09261 38 3PY 0.60182 0.06299 -0.25380 -0.33140 -0.02695 39 3PZ 0.00888 0.04844 0.22289 -0.36982 0.04459 40 4XX 0.00488 0.00115 -0.00527 0.00107 0.00506 41 4YY 0.00187 0.00042 -0.00065 0.00267 -0.01113 42 4ZZ 0.00171 -0.00449 -0.01047 -0.00257 0.00737 43 4XY 0.00122 0.00341 -0.00076 -0.00455 0.00474 44 4XZ 0.00652 0.00018 0.00084 0.00032 -0.00377 45 4YZ 0.00442 -0.00439 -0.00510 0.01351 -0.00338 46 4 C 1S 0.00351 -0.00214 0.03761 -0.11464 0.00884 47 2S 0.02171 -0.01215 -0.03722 0.09203 0.00019 48 2PX 0.03256 0.01434 -0.09149 -0.00512 0.01486 49 2PY 0.07349 -0.00883 0.04080 0.04687 -0.09718 50 2PZ -0.05406 0.08227 0.06548 0.10605 -0.01342 51 3S -0.25070 0.12610 -0.62762 2.23051 -0.21095 52 3PX 0.11666 -0.05129 -0.31203 0.07400 0.16632 53 3PY -0.05576 -0.03155 0.28548 0.46140 -0.31944 54 3PZ -0.09317 0.16438 0.27482 0.21920 0.05662 55 4XX 0.00716 0.00076 -0.00269 -0.00209 -0.00103 56 4YY -0.00723 -0.00271 -0.00300 -0.01886 0.00931 57 4ZZ 0.00476 -0.00095 0.01230 -0.00191 -0.00650 58 4XY -0.00052 -0.00303 -0.01179 -0.00046 -0.00074 59 4XZ -0.00385 0.00085 -0.00567 -0.00039 0.00394 60 4YZ -0.00037 0.00452 0.01439 -0.00167 0.00249 61 5 C 1S -0.00351 -0.00214 0.03762 0.11464 -0.00883 62 2S -0.02171 -0.01215 -0.03723 -0.09203 -0.00019 63 2PX -0.03251 0.01434 -0.09148 0.00513 -0.01486 64 2PY 0.07349 0.00883 -0.04079 0.04687 -0.09718 65 2PZ 0.05407 0.08228 0.06547 -0.10604 0.01342 66 3S 0.25071 0.12615 -0.62776 -2.23046 0.21091 67 3PX -0.11651 -0.05128 -0.31203 -0.07398 -0.16632 68 3PY -0.05576 0.03155 -0.28546 0.46143 -0.31946 69 3PZ 0.09318 0.16439 0.27480 -0.21919 -0.05662 70 4XX -0.00716 0.00076 -0.00269 0.00209 0.00103 71 4YY 0.00723 -0.00271 -0.00300 0.01886 -0.00931 72 4ZZ -0.00476 -0.00095 0.01230 0.00191 0.00650 73 4XY -0.00052 0.00303 0.01179 -0.00046 -0.00074 74 4XZ 0.00385 0.00085 -0.00567 0.00039 -0.00394 75 4YZ -0.00037 -0.00452 -0.01439 -0.00167 0.00249 76 6 C 1S -0.04503 -0.01272 -0.08276 0.00568 -0.01577 77 2S 0.06344 0.01532 0.09999 -0.03024 0.05213 78 2PX -0.07402 0.05077 0.02174 -0.03492 -0.00215 79 2PY 0.20027 0.00293 0.07369 -0.05771 -0.07588 80 2PZ -0.04238 0.03330 0.10837 0.03265 -0.03257 81 3S 0.86603 0.25117 1.44155 0.00771 -0.00387 82 3PX -0.12922 0.09745 0.09353 -0.07809 0.09260 83 3PY 0.60181 -0.06299 0.25378 -0.33142 -0.02692 84 3PZ -0.00888 0.04843 0.22291 0.36979 -0.04458 85 4XX -0.00488 0.00115 -0.00527 -0.00106 -0.00506 86 4YY -0.00187 0.00042 -0.00065 -0.00267 0.01113 87 4ZZ -0.00171 -0.00449 -0.01047 0.00257 -0.00737 88 4XY 0.00121 -0.00341 0.00076 -0.00455 0.00474 89 4XZ -0.00652 0.00018 0.00084 -0.00032 0.00377 90 4YZ 0.00442 0.00439 0.00510 0.01351 -0.00338 91 7 H 1S -0.00644 0.03753 0.01575 -0.00139 0.04622 92 2S -0.59142 0.33115 0.60689 -0.47280 1.01059 93 8 H 1S 0.00644 0.03753 0.01575 0.00140 -0.04622 94 2S 0.59128 0.33116 0.60691 0.47278 -1.01056 95 9 H 1S 0.02117 0.00172 -0.02367 0.01786 -0.04066 96 2S 1.13258 -0.02813 -0.85869 -0.32463 -0.14195 97 10 H 1S 0.02073 -0.01304 -0.03990 -0.00289 -0.00957 98 2S 0.26003 -0.16314 -0.16959 -0.67478 -0.00785 99 11 H 1S -0.02071 -0.01304 -0.03990 0.00289 0.00957 100 2S -0.25985 -0.16317 -0.16955 0.67479 0.00788 101 12 H 1S -0.02118 0.00172 -0.02367 -0.01786 0.04066 102 2S -1.13256 -0.02813 -0.85868 0.32467 0.14191 103 13 H 1S 0.00951 -0.00344 -0.00525 0.00688 0.01237 104 2S -0.07292 -0.20808 0.31209 0.87868 0.19362 105 14 H 1S -0.00951 -0.00344 -0.00525 -0.00688 -0.01237 106 2S 0.07277 -0.20805 0.31203 -0.87872 -0.19361 107 15 C 1S -0.00001 -0.01527 0.03925 0.00000 -0.00001 108 2S 0.00001 0.02414 -0.06070 0.00000 0.00001 109 2PX -0.00004 0.32144 -0.16684 0.00001 0.00001 110 2PY -0.00270 0.00001 0.00000 -0.14838 -0.09946 111 2PZ -0.00003 0.03849 -0.04024 0.00000 -0.00001 112 3S 0.00015 -0.02683 -0.49152 0.00002 0.00009 113 3PX -0.00011 0.87058 -0.49198 0.00003 0.00004 114 3PY -0.00459 0.00001 0.00000 -0.27942 -0.20316 115 3PZ -0.00006 0.03049 -0.04336 0.00001 -0.00002 116 4XX 0.00000 0.00021 -0.00486 0.00000 0.00000 117 4YY 0.00000 0.00357 0.01187 0.00000 0.00000 118 4ZZ 0.00000 -0.00503 -0.00248 0.00000 0.00000 119 4XY -0.00082 0.00000 0.00000 0.01056 0.00499 120 4XZ 0.00000 0.01428 -0.00539 0.00000 0.00000 121 4YZ 0.00493 0.00000 0.00000 -0.00687 0.00108 122 16 C 1S 0.03254 -0.05606 -0.00412 0.01467 0.06492 123 2S -0.03710 0.09082 0.01995 -0.01503 -0.09274 124 2PX 0.05903 -0.06274 -0.05492 -0.02287 0.02880 125 2PY 0.01605 -0.12469 -0.02489 -0.03173 0.01154 126 2PZ 0.13295 0.01301 0.08416 0.07704 0.20248 127 3S -0.64241 0.90718 -0.10935 -0.25896 -1.08644 128 3PX -0.00646 -0.24254 -0.12473 -0.14355 -0.17585 129 3PY -0.04392 -0.44254 0.09519 0.02066 0.01113 130 3PZ 0.45770 0.03552 0.16418 0.30128 0.68650 131 4XX 0.00607 -0.00893 -0.00391 0.00026 0.00873 132 4YY 0.00410 0.00892 -0.00009 0.01066 0.01365 133 4ZZ -0.00078 -0.00113 0.00303 -0.00264 -0.00178 134 4XY -0.00230 -0.00448 -0.00853 0.00277 -0.00029 135 4XZ -0.00458 0.01416 0.00531 -0.00130 -0.00699 136 4YZ -0.00612 0.01154 0.00978 -0.00384 -0.01065 137 17 C 1S -0.03255 -0.05606 -0.00412 -0.01467 -0.06492 138 2S 0.03713 0.09082 0.01995 0.01503 0.09273 139 2PX -0.05908 -0.06274 -0.05492 0.02287 -0.02880 140 2PY 0.01606 0.12469 0.02489 -0.03173 0.01153 141 2PZ -0.13289 0.01302 0.08416 -0.07704 -0.20248 142 3S 0.64254 0.90716 -0.10934 0.25898 1.08640 143 3PX 0.00632 -0.24254 -0.12473 0.14355 0.17585 144 3PY -0.04385 0.44253 -0.09520 0.02068 0.01114 145 3PZ -0.45758 0.03555 0.16417 -0.30128 -0.68650 146 4XX -0.00607 -0.00893 -0.00391 -0.00026 -0.00873 147 4YY -0.00410 0.00892 -0.00009 -0.01066 -0.01365 148 4ZZ 0.00078 -0.00113 0.00303 0.00264 0.00178 149 4XY -0.00230 0.00448 0.00853 0.00277 -0.00029 150 4XZ 0.00459 0.01416 0.00531 0.00130 0.00699 151 4YZ -0.00612 -0.01154 -0.00978 -0.00384 -0.01064 152 18 H 1S 0.00000 -0.02511 -0.00110 0.00000 0.00000 153 2S 0.00003 -0.41281 0.49971 -0.00003 -0.00004 154 19 H 1S -0.00140 -0.00535 0.04189 -0.00118 0.01945 155 2S 0.65981 -0.66000 0.32077 0.36237 1.14814 156 20 H 1S 0.00141 -0.00535 0.04189 0.00118 -0.01945 157 2S -0.65975 -0.65998 0.32076 -0.36239 -1.14811 158 21 H 1S -0.00001 0.01458 -0.03335 0.00000 0.00000 159 2S -0.00024 1.06627 -0.40312 0.00002 0.00000 160 22 O 1S -0.00158 0.05755 -0.00665 -0.01643 -0.01097 161 2S -0.00094 -0.07982 0.00191 0.00467 0.00174 162 2PX 0.01518 -0.12680 -0.05156 -0.04748 -0.02944 163 2PY 0.03313 0.10928 -0.03791 -0.04561 0.01503 164 2PZ 0.05339 0.05957 0.08773 0.00971 0.07349 165 3S 0.05065 -0.76976 0.12903 0.29201 0.22664 166 3PX 0.04412 -0.28570 -0.07362 -0.02562 0.00314 167 3PY 0.00800 0.23064 -0.10397 -0.08179 -0.04543 168 3PZ 0.07025 0.10988 0.13192 0.04113 0.11087 169 4XX -0.00041 0.01876 0.00122 -0.01400 -0.00845 170 4YY -0.00368 0.01340 -0.00496 -0.00846 -0.00864 171 4ZZ 0.00379 0.02486 -0.00495 -0.00871 0.00014 172 4XY -0.00258 0.00366 -0.00285 -0.00136 -0.00432 173 4XZ -0.00419 0.00495 -0.00568 0.00708 -0.00278 174 4YZ -0.00053 -0.00851 0.00259 0.00567 0.00325 175 23 O 1S 0.00160 0.05755 -0.00665 0.01644 0.01098 176 2S 0.00091 -0.07982 0.00191 -0.00467 -0.00175 177 2PX -0.01522 -0.12681 -0.05156 0.04748 0.02946 178 2PY 0.03310 -0.10928 0.03791 -0.04562 0.01501 179 2PZ -0.05334 0.05957 0.08773 -0.00971 -0.07350 180 3S -0.05089 -0.76974 0.12903 -0.29204 -0.22672 181 3PX -0.04418 -0.28570 -0.07362 0.02561 -0.00312 182 3PY 0.00794 -0.23064 0.10397 -0.08180 -0.04548 183 3PZ -0.07017 0.10988 0.13192 -0.04114 -0.11090 184 4XX 0.00041 0.01876 0.00122 0.01400 0.00845 185 4YY 0.00369 0.01340 -0.00496 0.00846 0.00865 186 4ZZ -0.00378 0.02486 -0.00495 0.00871 -0.00014 187 4XY -0.00258 -0.00366 0.00285 -0.00136 -0.00432 188 4XZ 0.00418 0.00495 -0.00568 -0.00708 0.00279 189 4YZ -0.00053 0.00851 -0.00258 0.00567 0.00325 56 57 58 59 60 V V V V V Eigenvalues -- 0.19777 0.20300 0.22887 0.23612 0.24272 1 1 C 1S 0.00898 -0.05859 -0.01515 0.01034 0.00707 2 2S -0.03618 0.13601 0.05890 -0.00292 0.00095 3 2PX 0.01192 0.02096 -0.00011 -0.04968 -0.06868 4 2PY -0.01274 0.01850 0.02983 0.05793 -0.09807 5 2PZ 0.02813 -0.07636 0.02515 -0.02012 0.09174 6 3S -0.05632 0.42279 0.21060 -0.49180 -0.42268 7 3PX -0.04409 0.39524 0.03019 -0.03038 -0.24386 8 3PY -0.08883 0.33967 0.20707 0.27308 -0.33874 9 3PZ 0.06021 -0.60404 -0.09352 -0.10214 0.42506 10 4XX 0.00059 0.00135 0.00294 -0.00345 -0.00450 11 4YY -0.00388 -0.01273 0.00464 0.00661 0.01301 12 4ZZ 0.00042 0.00280 -0.00173 -0.00600 -0.00899 13 4XY -0.00419 0.00326 0.00700 -0.00146 -0.00906 14 4XZ 0.00138 -0.00016 -0.00313 0.00589 0.01242 15 4YZ 0.00224 -0.00691 -0.00326 -0.00123 -0.00232 16 2 C 1S 0.00899 0.05859 -0.01515 -0.01034 0.00708 17 2S -0.03620 -0.13601 0.05891 0.00292 0.00095 18 2PX 0.01192 -0.02096 -0.00011 0.04966 -0.06869 19 2PY 0.01275 0.01850 -0.02983 0.05795 0.09806 20 2PZ 0.02814 0.07636 0.02515 0.02014 0.09173 21 3S -0.05643 -0.42279 0.21064 0.49174 -0.42277 22 3PX -0.04415 -0.39524 0.03020 0.03032 -0.24386 23 3PY 0.08887 0.33964 -0.20706 0.27314 0.33867 24 3PZ 0.06030 0.60404 -0.09353 0.10224 0.42503 25 4XX 0.00059 -0.00135 0.00294 0.00345 -0.00450 26 4YY -0.00388 0.01273 0.00464 -0.00661 0.01301 27 4ZZ 0.00042 -0.00281 -0.00173 0.00600 -0.00899 28 4XY 0.00419 0.00326 -0.00700 -0.00146 0.00906 29 4XZ 0.00138 0.00016 -0.00313 -0.00588 0.01242 30 4YZ -0.00224 -0.00691 0.00326 -0.00123 0.00232 31 3 C 1S -0.03047 -0.05349 0.01363 -0.01867 0.04418 32 2S 0.04317 0.08634 -0.01752 0.04377 -0.05055 33 2PX -0.01099 -0.00093 -0.00259 -0.02469 0.03685 34 2PY -0.05152 -0.10984 0.09741 0.00658 -0.18666 35 2PZ 0.01420 0.00155 0.07708 0.00957 -0.19021 36 3S 0.45765 0.53120 -0.24748 0.23437 -0.78771 37 3PX -0.11775 -0.07104 -0.00440 -0.38214 0.21743 38 3PY -0.24770 -0.72518 0.46793 -0.09200 -0.92187 39 3PZ 0.08111 -0.08538 0.25139 0.03429 -0.84024 40 4XX -0.00320 0.00112 0.00295 -0.00542 0.00220 41 4YY -0.00205 -0.00461 -0.00280 0.00545 -0.00023 42 4ZZ -0.00168 -0.00894 0.00262 -0.00161 0.00442 43 4XY 0.00206 -0.00611 -0.00355 0.01081 -0.00141 44 4XZ 0.00276 0.00724 -0.00845 0.01199 -0.00161 45 4YZ 0.00097 0.00099 -0.00728 0.00211 0.00510 46 4 C 1S 0.01304 0.06056 -0.03017 0.01378 -0.06149 47 2S -0.02080 -0.09496 0.05549 -0.02945 0.05133 48 2PX 0.03120 -0.01283 -0.10575 0.29931 -0.01853 49 2PY 0.00832 0.00090 -0.06481 0.01529 -0.07092 50 2PZ 0.03355 -0.03292 0.07415 0.13088 -0.09939 51 3S -0.24269 -0.66935 0.47404 -0.12138 1.28465 52 3PX 0.06012 0.05721 -0.48425 1.18884 0.08966 53 3PY 0.14217 0.13800 -0.19286 0.13283 -0.33092 54 3PZ 0.06357 -0.24736 0.33280 0.49769 -0.81856 55 4XX 0.00236 0.00183 -0.01521 -0.00176 0.01029 56 4YY -0.00335 0.01049 0.00251 0.00078 0.00190 57 4ZZ 0.00078 0.00519 0.00888 0.00321 -0.02399 58 4XY -0.00133 -0.00160 -0.01773 -0.00760 -0.00052 59 4XZ -0.00081 -0.00284 0.00776 -0.00144 0.01388 60 4YZ 0.00610 0.00323 0.00290 -0.00410 -0.01217 61 5 C 1S 0.01303 -0.06056 -0.03017 -0.01379 -0.06149 62 2S -0.02080 0.09496 0.05549 0.02945 0.05132 63 2PX 0.03120 0.01283 -0.10577 -0.29931 -0.01848 64 2PY -0.00831 0.00090 0.06481 0.01530 0.07093 65 2PZ 0.03355 0.03291 0.07415 -0.13090 -0.09936 66 3S -0.24266 0.66936 0.47403 0.12155 1.28461 67 3PX 0.06010 -0.05722 -0.48434 -1.18879 0.08984 68 3PY -0.14212 0.13800 0.19287 0.13289 0.33098 69 3PZ 0.06358 0.24737 0.33277 -0.49783 -0.81845 70 4XX 0.00236 -0.00183 -0.01521 0.00177 0.01029 71 4YY -0.00335 -0.01049 0.00251 -0.00078 0.00190 72 4ZZ 0.00078 -0.00519 0.00888 -0.00322 -0.02399 73 4XY 0.00133 -0.00160 0.01773 -0.00760 0.00052 74 4XZ -0.00081 0.00284 0.00776 0.00144 0.01388 75 4YZ -0.00610 0.00323 -0.00290 -0.00410 0.01218 76 6 C 1S -0.03047 0.05349 0.01364 0.01868 0.04417 77 2S 0.04315 -0.08634 -0.01752 -0.04378 -0.05054 78 2PX -0.01099 0.00093 -0.00259 0.02469 0.03685 79 2PY 0.05152 -0.10984 -0.09741 0.00662 0.18666 80 2PZ 0.01420 -0.00155 0.07707 -0.00960 -0.19020 81 3S 0.45761 -0.53122 -0.24750 -0.23453 -0.78770 82 3PX -0.11776 0.07107 -0.00436 0.38217 0.21733 83 3PY 0.24764 -0.72521 -0.46795 -0.09181 0.92191 84 3PZ 0.08114 0.08536 0.25137 -0.03445 -0.84021 85 4XX -0.00320 -0.00112 0.00295 0.00542 0.00220 86 4YY -0.00205 0.00461 -0.00280 -0.00545 -0.00023 87 4ZZ -0.00167 0.00894 0.00262 0.00161 0.00442 88 4XY -0.00206 -0.00611 0.00355 0.01081 0.00141 89 4XZ 0.00275 -0.00724 -0.00845 -0.01199 -0.00161 90 4YZ -0.00097 0.00099 0.00728 0.00211 -0.00510 91 7 H 1S -0.00958 -0.01868 0.01227 -0.02154 -0.03806 92 2S 0.17249 -1.03848 -0.22743 -0.06086 0.72449 93 8 H 1S -0.00958 0.01868 0.01227 0.02153 -0.03806 94 2S 0.17266 1.03847 -0.22745 0.06100 0.72444 95 9 H 1S -0.01807 -0.06789 0.00170 0.02130 -0.00967 96 2S -0.47596 -1.08990 0.63416 -0.17182 -0.74473 97 10 H 1S -0.00006 0.02509 -0.12088 0.03223 0.02498 98 2S 0.16825 0.45028 -1.02975 1.22634 -0.29041 99 11 H 1S -0.00006 -0.02509 -0.12088 -0.03222 0.02499 100 2S 0.16818 -0.45030 -1.02984 -1.22629 -0.29023 101 12 H 1S -0.01807 0.06789 0.00169 -0.02130 -0.00967 102 2S -0.47589 1.08995 0.63418 0.17167 -0.74475 103 13 H 1S -0.00473 -0.01118 0.03961 0.02672 0.06587 104 2S -0.02487 -0.52565 -0.10387 1.20376 0.08342 105 14 H 1S -0.00472 0.01118 0.03961 -0.02671 0.06587 106 2S -0.02484 0.52566 -0.10398 -1.20373 0.08365 107 15 C 1S -0.13286 0.00001 0.00656 0.00000 0.01035 108 2S 0.21012 -0.00001 0.02148 -0.00001 -0.03315 109 2PX 0.15664 -0.00001 0.02957 -0.00001 -0.03796 110 2PY 0.00001 0.00207 0.00001 0.12172 -0.00001 111 2PZ -0.15342 0.00000 -0.33527 0.00000 -0.14470 112 3S 1.81185 -0.00008 -0.42543 -0.00002 -0.21358 113 3PX 0.64716 -0.00003 -0.08719 -0.00002 -0.07347 114 3PY 0.00001 -0.15172 0.00001 0.09341 0.00000 115 3PZ -0.60718 0.00002 -0.96057 0.00001 -0.35240 116 4XX 0.01718 0.00000 -0.00421 0.00000 -0.00520 117 4YY -0.03106 0.00000 -0.00885 0.00000 -0.00538 118 4ZZ 0.00854 0.00000 0.02075 0.00000 0.00605 119 4XY 0.00000 -0.00318 0.00000 -0.01284 0.00000 120 4XZ 0.02413 0.00000 0.00910 0.00000 0.00453 121 4YZ 0.00000 0.00101 0.00000 0.00586 0.00000 122 16 C 1S 0.04178 0.03036 -0.00031 0.00395 -0.01075 123 2S -0.08464 -0.07265 -0.02232 -0.00832 0.01291 124 2PX 0.05171 0.00311 0.02246 0.02251 0.00385 125 2PY 0.12665 0.03615 0.00698 0.02658 -0.02176 126 2PZ -0.00528 0.08504 -0.00850 -0.03450 -0.02702 127 3S -0.53918 -0.21758 0.07238 0.01564 0.18146 128 3PX 0.08827 -0.10864 -0.04748 -0.00897 0.02848 129 3PY 0.20055 0.38268 -0.05294 0.08072 -0.06314 130 3PZ -0.03351 0.37425 0.00281 -0.06907 -0.00095 131 4XX 0.00132 0.00559 -0.00473 0.00671 -0.00382 132 4YY 0.00335 0.00683 0.00172 -0.00170 0.00111 133 4ZZ 0.00173 -0.00097 0.00022 -0.00121 0.00003 134 4XY 0.01155 -0.00104 0.00284 -0.00373 -0.00425 135 4XZ 0.00065 -0.00172 0.00252 -0.00326 -0.00117 136 4YZ -0.01108 -0.00489 -0.00438 0.00103 -0.00161 137 17 C 1S 0.04178 -0.03037 -0.00032 -0.00395 -0.01075 138 2S -0.08464 0.07266 -0.02231 0.00833 0.01291 139 2PX 0.05172 -0.00311 0.02246 -0.02251 0.00385 140 2PY -0.12664 0.03616 -0.00698 0.02659 0.02176 141 2PZ -0.00527 -0.08504 -0.00850 0.03450 -0.02703 142 3S -0.53926 0.21762 0.07239 -0.01559 0.18146 143 3PX 0.08826 0.10864 -0.04748 0.00898 0.02848 144 3PY -0.20052 0.38271 0.05296 0.08074 0.06313 145 3PZ -0.03347 -0.37424 0.00281 0.06908 -0.00096 146 4XX 0.00132 -0.00559 -0.00473 -0.00671 -0.00382 147 4YY 0.00335 -0.00683 0.00172 0.00170 0.00111 148 4ZZ 0.00173 0.00097 0.00022 0.00121 0.00002 149 4XY -0.01155 -0.00104 -0.00284 -0.00373 0.00425 150 4XZ 0.00065 0.00172 0.00252 0.00325 -0.00117 151 4YZ 0.01108 -0.00490 0.00438 0.00103 0.00161 152 18 H 1S 0.02871 0.00000 0.11741 0.00000 0.04440 153 2S -0.41095 0.00002 1.47341 0.00000 0.62582 154 19 H 1S -0.03843 0.01577 -0.00971 0.00109 0.00208 155 2S 0.39792 0.72259 -0.02321 -0.03226 -0.19431 156 20 H 1S -0.03843 -0.01576 -0.00971 -0.00109 0.00208 157 2S 0.39798 -0.72261 -0.02323 0.03222 -0.19432 158 21 H 1S 0.05444 0.00000 -0.02905 0.00000 -0.01538 159 2S -0.30229 0.00001 -0.22071 -0.00001 -0.13168 160 22 O 1S 0.03753 -0.00430 0.01619 0.00884 0.00527 161 2S -0.03956 -0.00494 -0.01842 -0.01048 -0.01019 162 2PX 0.15563 -0.01290 0.08247 0.02232 0.00960 163 2PY 0.22886 0.01100 0.09693 0.05039 0.02997 164 2PZ -0.14120 0.05271 0.06623 0.01947 0.02163 165 3S -0.57419 0.12539 -0.25943 -0.10876 -0.07841 166 3PX 0.29282 -0.01056 0.10255 0.00066 0.00999 167 3PY 0.49005 -0.05532 0.16638 0.03399 0.03131 168 3PZ -0.27041 0.08392 0.09312 -0.00125 0.04708 169 4XX 0.01433 -0.00336 0.00696 0.01039 0.00302 170 4YY 0.01413 -0.00250 0.01073 0.00269 0.00062 171 4ZZ 0.01613 -0.00485 -0.00057 0.00183 -0.00039 172 4XY 0.00568 -0.00008 0.00763 0.00085 0.00251 173 4XZ 0.01376 -0.00552 0.00622 -0.00775 0.00281 174 4YZ -0.00571 -0.00204 -0.00121 -0.00675 0.00218 175 23 O 1S 0.03753 0.00430 0.01619 -0.00885 0.00527 176 2S -0.03956 0.00495 -0.01842 0.01048 -0.01019 177 2PX 0.15563 0.01288 0.08247 -0.02233 0.00961 178 2PY -0.22886 0.01103 -0.09693 0.05041 -0.02997 179 2PZ -0.14120 -0.05270 0.06623 -0.01947 0.02163 180 3S -0.57418 -0.12534 -0.25943 0.10878 -0.07843 181 3PX 0.29283 0.01054 0.10256 -0.00068 0.00999 182 3PY -0.49004 -0.05528 -0.16638 0.03401 -0.03132 183 3PZ -0.27042 -0.08390 0.09311 0.00126 0.04708 184 4XX 0.01433 0.00336 0.00696 -0.01039 0.00302 185 4YY 0.01413 0.00250 0.01073 -0.00269 0.00062 186 4ZZ 0.01613 0.00485 -0.00057 -0.00183 -0.00039 187 4XY -0.00568 -0.00008 -0.00763 0.00085 -0.00251 188 4XZ 0.01376 0.00552 0.00622 0.00775 0.00281 189 4YZ 0.00571 -0.00204 0.00121 -0.00675 -0.00218 61 62 63 64 65 V V V V V Eigenvalues -- 0.24912 0.30439 0.31363 0.32662 0.37013 1 1 C 1S -0.00769 -0.04918 -0.06115 0.00226 -0.00127 2 2S 0.01974 0.05121 0.03526 0.00790 0.02213 3 2PX -0.06483 -0.02938 -0.10792 -0.06932 -0.02060 4 2PY -0.01800 -0.19977 0.04489 0.03376 0.03084 5 2PZ 0.15613 -0.04040 0.10439 -0.05971 0.00493 6 3S 0.13972 1.39777 1.97736 0.08238 -0.13826 7 3PX -0.36001 0.00149 -0.90332 -0.13320 -0.04288 8 3PY -0.17705 -1.37833 0.73212 -0.09880 0.22939 9 3PZ 0.57669 -0.29823 0.79020 0.00006 -0.03209 10 4XX 0.00610 0.00237 -0.01765 -0.01091 -0.00253 11 4YY -0.00104 -0.02470 0.00742 0.01042 0.00338 12 4ZZ -0.00483 0.01758 -0.00117 0.00623 0.00019 13 4XY -0.00241 0.00353 0.02269 -0.00382 0.00019 14 4XZ -0.00234 -0.01440 0.01145 -0.00795 -0.00113 15 4YZ 0.00641 0.00071 -0.02428 -0.00019 0.00158 16 2 C 1S 0.00769 0.04918 -0.06116 -0.00226 0.00127 17 2S -0.01974 -0.05121 0.03526 -0.00790 -0.02212 18 2PX 0.06484 0.02937 -0.10792 0.06932 0.02060 19 2PY -0.01800 -0.19977 -0.04487 0.03376 0.03085 20 2PZ -0.15614 0.04041 0.10438 0.05971 -0.00493 21 3S -0.13974 -1.39760 1.97744 -0.08239 0.13823 22 3PX 0.36005 -0.00154 -0.90330 0.13320 0.04289 23 3PY -0.17703 -1.37840 -0.73204 -0.09879 0.22940 24 3PZ -0.57672 0.29826 0.79011 -0.00006 0.03209 25 4XX -0.00610 -0.00238 -0.01765 0.01091 0.00253 26 4YY 0.00103 0.02470 0.00742 -0.01042 -0.00338 27 4ZZ 0.00483 -0.01758 -0.00116 -0.00623 -0.00019 28 4XY -0.00241 0.00353 -0.02269 -0.00382 0.00020 29 4XZ 0.00234 0.01440 0.01145 0.00795 0.00113 30 4YZ 0.00641 0.00071 0.02428 -0.00019 0.00158 31 3 C 1S -0.00502 0.05458 0.04993 0.01183 0.00112 32 2S -0.01909 -0.06382 -0.05071 -0.01458 0.03163 33 2PX 0.03121 -0.03929 -0.16617 -0.08600 -0.01371 34 2PY -0.04680 -0.04807 -0.13033 0.02965 0.00221 35 2PZ 0.03008 -0.15527 0.17504 -0.02969 -0.00025 36 3S 0.41619 -1.37442 -1.44211 -0.20228 -0.12339 37 3PX 0.26616 -0.06227 -1.06988 0.07211 0.13160 38 3PY -0.13588 -0.13865 -0.85990 0.07399 -0.14657 39 3PZ -0.13965 -0.67785 1.01347 -0.10938 -0.14440 40 4XX -0.00287 0.00929 0.01014 -0.00493 -0.00618 41 4YY 0.00719 -0.02213 -0.00263 0.00404 0.00162 42 4ZZ -0.00575 0.01851 -0.00222 0.00470 0.00847 43 4XY -0.01179 -0.01093 0.01300 -0.00593 0.00777 44 4XZ 0.00620 -0.01088 -0.00236 0.00061 0.00587 45 4YZ 0.01996 0.01501 -0.01318 -0.00466 0.00688 46 4 C 1S -0.04246 -0.02516 0.01175 -0.00099 -0.00754 47 2S 0.04860 0.02438 -0.00763 0.00883 -0.00491 48 2PX 0.03243 0.14627 -0.02917 -0.00400 -0.00998 49 2PY 0.32592 -0.14211 0.07104 -0.06989 0.01891 50 2PZ -0.12547 -0.20179 0.02883 -0.00687 -0.05847 51 3S 0.69545 0.42726 -0.49272 0.01368 0.20479 52 3PX 0.14549 0.58986 0.15241 -0.00249 -0.00972 53 3PY 1.37294 -0.47697 0.29478 -0.28808 0.14405 54 3PZ -0.45305 -0.90091 0.04838 -0.03170 -0.24748 55 4XX 0.01494 -0.00164 -0.00573 -0.00479 -0.00054 56 4YY -0.02628 0.00810 0.01240 0.00498 -0.00126 57 4ZZ 0.00596 -0.01032 -0.00591 0.00218 -0.00275 58 4XY -0.00264 -0.00240 0.00662 -0.00051 0.00136 59 4XZ -0.00093 0.01344 0.00627 0.00208 -0.01220 60 4YZ 0.00508 0.00512 0.02348 -0.00169 0.00198 61 5 C 1S 0.04246 0.02516 0.01175 0.00099 0.00754 62 2S -0.04861 -0.02438 -0.00763 -0.00883 0.00490 63 2PX -0.03242 -0.14627 -0.02916 0.00400 0.00999 64 2PY 0.32591 -0.14213 -0.07102 -0.06989 0.01891 65 2PZ 0.12549 0.20179 0.02882 0.00686 0.05847 66 3S -0.69549 -0.42731 -0.49270 -0.01368 -0.20478 67 3PX -0.14548 -0.58984 0.15249 0.00249 0.00972 68 3PY 1.37292 -0.47703 -0.29471 -0.28808 0.14405 69 3PZ 0.45314 0.90091 0.04831 0.03169 0.24748 70 4XX -0.01494 0.00164 -0.00573 0.00479 0.00054 71 4YY 0.02628 -0.00810 0.01240 -0.00498 0.00126 72 4ZZ -0.00596 0.01032 -0.00591 -0.00218 0.00275 73 4XY -0.00264 -0.00240 -0.00662 -0.00051 0.00136 74 4XZ 0.00093 -0.01344 0.00627 -0.00208 0.01220 75 4YZ 0.00509 0.00512 -0.02348 -0.00169 0.00198 76 6 C 1S 0.00502 -0.05457 0.04993 -0.01183 -0.00112 77 2S 0.01909 0.06382 -0.05071 0.01458 -0.03163 78 2PX -0.03120 0.03928 -0.16618 0.08600 0.01371 79 2PY -0.04681 -0.04806 0.13032 0.02965 0.00220 80 2PZ -0.03008 0.15529 0.17503 0.02969 0.00025 81 3S -0.41613 1.37430 -1.44225 0.20229 0.12340 82 3PX -0.26616 0.06219 -1.06992 -0.07210 -0.13158 83 3PY -0.13594 -0.13860 0.85987 0.07398 -0.14658 84 3PZ 0.13966 0.67794 1.01346 0.10937 0.14438 85 4XX 0.00287 -0.00928 0.01015 0.00493 0.00618 86 4YY -0.00719 0.02212 -0.00263 -0.00404 -0.00162 87 4ZZ 0.00575 -0.01851 -0.00222 -0.00470 -0.00847 88 4XY -0.01179 -0.01093 -0.01300 -0.00593 0.00777 89 4XZ -0.00620 0.01088 -0.00236 -0.00061 -0.00587 90 4YZ 0.01996 0.01501 0.01318 -0.00466 0.00688 91 7 H 1S 0.00070 0.06447 0.08430 0.04222 0.00086 92 2S 0.70168 0.13197 0.19511 0.06217 -0.05949 93 8 H 1S -0.00070 -0.06446 0.08431 -0.04222 -0.00086 94 2S -0.70172 -0.13196 0.19510 -0.06217 0.05949 95 9 H 1S 0.04858 -0.09264 -0.02682 0.01843 -0.00913 96 2S -0.14694 0.07470 -0.43580 0.18358 -0.11046 97 10 H 1S 0.05919 -0.00898 -0.03394 -0.01518 0.03026 98 2S 0.65916 0.47093 0.15168 -0.11677 0.11296 99 11 H 1S -0.05919 0.00898 -0.03394 0.01518 -0.03027 100 2S -0.65914 -0.47092 0.15173 0.11677 -0.11296 101 12 H 1S -0.04858 0.09264 -0.02683 -0.01843 0.00913 102 2S 0.14698 -0.07472 -0.43580 -0.18359 0.11048 103 13 H 1S -0.03645 -0.01799 -0.04194 0.00550 0.02145 104 2S -0.53273 0.09842 0.07688 0.09636 -0.19823 105 14 H 1S 0.03644 0.01799 -0.04194 -0.00550 -0.02144 106 2S 0.53272 -0.09841 0.07692 -0.09636 0.19823 107 15 C 1S 0.00000 0.00000 0.00678 0.00000 0.00000 108 2S 0.00000 0.00000 -0.02251 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00888 0.00000 0.00000 110 2PY 0.09125 0.07178 -0.00001 -0.03520 -0.31612 111 2PZ 0.00000 0.00000 0.02875 0.00000 0.00000 112 3S 0.00000 -0.00001 -0.05188 0.00000 0.00000 113 3PX 0.00000 -0.00001 -0.03587 0.00001 0.00000 114 3PY -0.07854 0.09363 -0.00001 -0.95933 0.10072 115 3PZ 0.00001 0.00000 0.05969 -0.00001 0.00000 116 4XX 0.00000 0.00000 -0.00469 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00334 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00191 0.00000 0.00000 119 4XY -0.00726 -0.00631 0.00000 0.00644 0.01098 120 4XZ 0.00000 0.00000 -0.00288 0.00000 0.00000 121 4YZ 0.00156 0.00332 0.00000 -0.00986 -0.01510 122 16 C 1S -0.00707 -0.00782 -0.00108 -0.02273 0.11316 123 2S -0.00513 0.00678 -0.00358 -0.00746 -0.12507 124 2PX 0.02774 -0.03856 0.00298 0.12823 0.15941 125 2PY 0.04318 -0.00897 0.00520 0.24084 -0.14947 126 2PZ 0.00628 -0.05662 0.01930 -0.08470 -0.22711 127 3S 0.28474 0.09026 -0.02082 1.25410 -2.60194 128 3PX 0.05059 -0.02089 0.03796 0.70799 1.07759 129 3PY 0.29441 -0.17677 0.02074 1.79290 -1.76998 130 3PZ 0.02144 -0.08861 -0.02234 -0.29492 -0.98297 131 4XX 0.00158 0.00080 -0.00318 0.00393 -0.00537 132 4YY -0.00600 -0.00272 0.00030 -0.02512 0.02342 133 4ZZ 0.00244 -0.00104 0.00005 0.00402 -0.01367 134 4XY -0.00176 -0.00144 -0.00388 -0.00482 0.00227 135 4XZ -0.00086 0.00204 -0.00058 -0.01351 -0.01115 136 4YZ 0.00090 0.00266 -0.00371 -0.00093 0.00423 137 17 C 1S 0.00707 0.00782 -0.00108 0.02273 -0.11316 138 2S 0.00513 -0.00678 -0.00358 0.00747 0.12507 139 2PX -0.02774 0.03856 0.00297 -0.12823 -0.15941 140 2PY 0.04318 -0.00897 -0.00520 0.24084 -0.14948 141 2PZ -0.00628 0.05662 0.01930 0.08470 0.22710 142 3S -0.28475 -0.09026 -0.02079 -1.25409 2.60196 143 3PX -0.05060 0.02089 0.03794 -0.70800 -1.07760 144 3PY 0.29441 -0.17677 -0.02074 1.79289 -1.77001 145 3PZ -0.02144 0.08860 -0.02233 0.29498 0.98291 146 4XX -0.00157 -0.00080 -0.00318 -0.00393 0.00537 147 4YY 0.00600 0.00272 0.00030 0.02512 -0.02342 148 4ZZ -0.00244 0.00104 0.00005 -0.00402 0.01367 149 4XY -0.00176 -0.00144 0.00388 -0.00482 0.00227 150 4XZ 0.00086 -0.00204 -0.00058 0.01351 0.01115 151 4YZ 0.00090 0.00266 0.00371 -0.00093 0.00423 152 18 H 1S 0.00000 0.00000 0.00722 0.00000 0.00000 153 2S -0.00001 0.00001 -0.06129 -0.00001 0.00000 154 19 H 1S 0.00773 -0.01324 -0.01278 0.02444 0.06639 155 2S 0.09424 -0.28186 0.02670 0.34194 -0.96146 156 20 H 1S -0.00773 0.01324 -0.01278 -0.02444 -0.06639 157 2S -0.09424 0.28186 0.02669 -0.34194 0.96145 158 21 H 1S 0.00000 0.00000 -0.01420 0.00000 0.00000 159 2S 0.00000 0.00000 0.04275 0.00000 0.00000 160 22 O 1S 0.00213 -0.00067 -0.00131 0.01839 0.04211 161 2S -0.00235 0.01329 -0.02280 -0.05335 -0.03818 162 2PX 0.01728 0.03932 -0.03686 -0.18589 -0.17939 163 2PY 0.00799 0.02598 -0.03326 -0.08117 0.01774 164 2PZ 0.03257 -0.00829 -0.01284 0.15778 0.16682 165 3S -0.00736 -0.01944 0.09575 -0.17061 -0.92180 166 3PX -0.01096 0.04499 -0.00255 -0.44734 -0.39738 167 3PY -0.01789 0.03112 -0.03095 -0.21314 0.29187 168 3PZ 0.04118 -0.04896 -0.00676 0.41040 0.27639 169 4XX 0.00245 0.00765 -0.00359 -0.00469 0.02430 170 4YY 0.00397 0.00385 -0.00885 0.00902 -0.00077 171 4ZZ -0.00188 -0.00047 -0.01008 -0.00492 0.01833 172 4XY 0.00587 -0.00003 0.00149 0.02044 -0.02167 173 4XZ -0.00771 -0.00505 0.00142 0.00121 0.01204 174 4YZ -0.00537 -0.00456 0.00267 -0.01789 0.01720 175 23 O 1S -0.00214 0.00067 -0.00131 -0.01839 -0.04211 176 2S 0.00235 -0.01329 -0.02280 0.05335 0.03818 177 2PX -0.01728 -0.03932 -0.03685 0.18589 0.17939 178 2PY 0.00799 0.02598 0.03326 -0.08116 0.01775 179 2PZ -0.03257 0.00829 -0.01285 -0.15778 -0.16683 180 3S 0.00736 0.01945 0.09576 0.17060 0.92180 181 3PX 0.01096 -0.04499 -0.00254 0.44733 0.39737 182 3PY -0.01788 0.03113 0.03095 -0.21313 0.29188 183 3PZ -0.04119 0.04896 -0.00677 -0.41040 -0.27638 184 4XX -0.00245 -0.00765 -0.00359 0.00469 -0.02430 185 4YY -0.00397 -0.00386 -0.00885 -0.00902 0.00077 186 4ZZ 0.00188 0.00047 -0.01008 0.00491 -0.01833 187 4XY 0.00587 -0.00003 -0.00149 0.02044 -0.02167 188 4XZ 0.00771 0.00505 0.00142 -0.00121 -0.01204 189 4YZ -0.00537 -0.00456 -0.00267 -0.01789 0.01720 66 67 68 69 70 V V V V V Eigenvalues -- 0.43216 0.47398 0.47797 0.49140 0.50830 1 1 C 1S -0.09297 -0.00201 -0.03357 0.00378 0.00424 2 2S 0.03026 -0.05806 0.01632 -0.06487 0.33229 3 2PX -0.04081 0.09831 -0.16371 0.12705 -0.08384 4 2PY -0.15076 0.04979 0.22075 -0.24789 -0.03584 5 2PZ 0.11607 0.12615 0.11090 -0.13659 0.06445 6 3S 3.56245 0.19105 1.45064 0.00087 -0.36894 7 3PX -1.02298 -0.08372 -1.81202 -0.14163 0.06506 8 3PY -2.25623 0.03340 1.70936 0.36901 0.01911 9 3PZ 1.26255 -0.11776 1.45114 0.15616 -0.07960 10 4XX 0.00255 0.00696 -0.01396 -0.01030 0.00994 11 4YY -0.00686 -0.00882 0.02035 0.02339 0.04661 12 4ZZ 0.00742 -0.00206 0.00210 -0.01747 0.01514 13 4XY -0.00892 0.00697 -0.00316 0.01909 -0.00376 14 4XZ -0.00498 0.00170 0.00251 0.01943 -0.03193 15 4YZ 0.00824 -0.00592 0.00461 -0.01975 0.00081 16 2 C 1S 0.09297 -0.00200 0.03357 0.00378 0.00424 17 2S -0.03027 -0.05807 -0.01630 -0.06487 0.33229 18 2PX 0.04081 0.09836 0.16367 0.12704 -0.08385 19 2PY -0.15076 -0.04972 0.22077 0.24789 0.03584 20 2PZ -0.11608 0.12612 -0.11094 -0.13658 0.06446 21 3S -3.56244 0.19066 -1.45071 0.00090 -0.36889 22 3PX 1.02303 -0.08318 1.81202 -0.14166 0.06503 23 3PY -2.25617 -0.03284 1.70946 -0.36905 -0.01912 24 3PZ -1.26260 -0.11819 -1.45106 0.15617 -0.07957 25 4XX -0.00255 0.00696 0.01396 -0.01030 0.00994 26 4YY 0.00686 -0.00882 -0.02035 0.02339 0.04661 27 4ZZ -0.00742 -0.00206 -0.00210 -0.01747 0.01514 28 4XY -0.00892 -0.00697 -0.00316 -0.01909 0.00376 29 4XZ 0.00498 0.00170 -0.00251 0.01943 -0.03192 30 4YZ 0.00824 0.00592 0.00460 0.01975 -0.00081 31 3 C 1S -0.08006 0.00722 -0.04117 0.00014 0.00067 32 2S 0.05680 -0.09494 -0.01173 -0.02355 0.13255 33 2PX -0.11024 0.04988 0.05358 -0.24898 0.09741 34 2PY 0.12926 -0.06155 0.05974 0.00810 0.00596 35 2PZ 0.14487 -0.02279 -0.19038 0.19369 -0.07374 36 3S 2.35122 0.00853 2.13749 -0.14990 0.00471 37 3PX 0.28421 -0.03936 1.64578 0.47752 -0.05977 38 3PY 1.87567 0.04114 0.91923 0.00706 0.10320 39 3PZ 0.57168 0.19430 -1.79568 -0.34741 0.17725 40 4XX -0.00039 -0.00235 -0.02196 -0.01142 0.00869 41 4YY -0.00201 0.01230 0.00825 0.00914 0.00644 42 4ZZ 0.00843 -0.02264 0.01413 0.01044 0.00569 43 4XY -0.01699 -0.01243 -0.00694 -0.02815 0.01019 44 4XZ -0.01030 0.00886 0.01368 0.01364 -0.02766 45 4YZ 0.00523 -0.01336 0.01282 0.02801 -0.00002 46 4 C 1S 0.05781 -0.00520 0.00860 -0.00041 -0.00109 47 2S 0.02158 -0.06906 -0.00008 -0.06021 -0.00091 48 2PX 0.01439 0.16203 0.01032 0.07795 0.21389 49 2PY 0.02797 -0.05312 -0.18917 -0.29528 -0.02142 50 2PZ 0.08588 0.16450 -0.15364 -0.04037 0.00804 51 3S -1.82651 0.05277 -0.03548 0.21165 -0.08727 52 3PX -0.50908 -0.23948 -0.06433 -0.13896 -0.28034 53 3PY -0.40606 0.05041 -1.14340 0.30662 0.05952 54 3PZ 1.62428 -0.14304 -0.40057 0.03673 0.01691 55 4XX -0.01907 -0.00220 0.00425 0.01283 -0.00775 56 4YY -0.00215 -0.01655 0.00721 -0.06120 -0.00626 57 4ZZ 0.02746 -0.00826 -0.01039 0.03538 0.00313 58 4XY -0.00208 -0.02135 -0.00247 -0.01224 -0.02780 59 4XZ -0.01029 0.02764 -0.02007 -0.00820 0.04330 60 4YZ -0.00175 -0.01509 -0.00794 0.01222 -0.00196 61 5 C 1S -0.05781 -0.00520 -0.00860 -0.00041 -0.00109 62 2S -0.02158 -0.06906 0.00010 -0.06021 -0.00091 63 2PX -0.01439 0.16203 -0.01037 0.07795 0.21389 64 2PY 0.02798 0.05305 -0.18918 0.29529 0.02142 65 2PZ -0.08588 0.16455 0.15358 -0.04036 0.00804 66 3S 1.82653 0.05275 0.03547 0.21165 -0.08729 67 3PX 0.50906 -0.23947 0.06441 -0.13896 -0.28036 68 3PY -0.40600 -0.05076 -1.14341 -0.30660 -0.05949 69 3PZ -1.62431 -0.14289 0.40058 0.03671 0.01692 70 4XX 0.01907 -0.00220 -0.00425 0.01283 -0.00775 71 4YY 0.00215 -0.01655 -0.00721 -0.06120 -0.00626 72 4ZZ -0.02746 -0.00826 0.01039 0.03538 0.00313 73 4XY -0.00208 0.02135 -0.00247 0.01224 0.02780 74 4XZ 0.01029 0.02765 0.02007 -0.00820 0.04330 75 4YZ -0.00175 0.01509 -0.00795 -0.01223 0.00196 76 6 C 1S 0.08006 0.00723 0.04116 0.00014 0.00066 77 2S -0.05680 -0.09494 0.01176 -0.02355 0.13254 78 2PX 0.11023 0.04986 -0.05359 -0.24898 0.09741 79 2PY 0.12926 0.06157 0.05971 -0.00811 -0.00595 80 2PZ -0.14487 -0.02273 0.19039 0.19368 -0.07374 81 3S -2.35124 0.00792 -2.13749 -0.14987 0.00477 82 3PX -0.28425 -0.03986 -1.64576 0.47755 -0.05973 83 3PY 1.87569 -0.04089 0.91915 -0.00707 -0.10324 84 3PZ -0.57162 0.19486 1.79565 -0.34744 0.17723 85 4XX 0.00039 -0.00235 0.02196 -0.01142 0.00869 86 4YY 0.00201 0.01230 -0.00825 0.00914 0.00644 87 4ZZ -0.00843 -0.02264 -0.01412 0.01043 0.00569 88 4XY -0.01699 0.01243 -0.00694 0.02815 -0.01019 89 4XZ 0.01030 0.00885 -0.01369 0.01365 -0.02766 90 4YZ 0.00523 0.01337 0.01281 -0.02801 0.00002 91 7 H 1S -0.04078 0.00361 -0.03608 0.01154 0.07763 92 2S 1.03640 -0.07833 0.42449 -0.04202 0.04264 93 8 H 1S 0.04078 0.00362 0.03608 0.01154 0.07763 94 2S -1.03639 -0.07844 -0.42447 -0.04201 0.04266 95 9 H 1S -0.08373 0.07552 0.03346 0.01002 0.02087 96 2S 0.74067 0.00041 0.21714 0.02507 0.07773 97 10 H 1S -0.05309 -0.08391 0.07743 0.02356 -0.14632 98 2S -0.17287 -0.08899 -0.11365 -0.07987 -0.02161 99 11 H 1S 0.05309 -0.08393 -0.07741 0.02357 -0.14632 100 2S 0.17288 -0.08896 0.11368 -0.07988 -0.02161 101 12 H 1S 0.08373 0.07551 -0.03348 0.01003 0.02087 102 2S -0.74067 0.00035 -0.21713 0.02507 0.07774 103 13 H 1S 0.05923 0.13986 0.06615 0.02981 0.17008 104 2S 0.28289 -0.06700 -0.03724 -0.04890 -0.06073 105 14 H 1S -0.05923 0.13984 -0.06619 0.02981 0.17008 106 2S -0.28290 -0.06698 0.03726 -0.04890 -0.06073 107 15 C 1S 0.00000 0.01004 0.00000 -0.00756 0.01609 108 2S 0.00000 -0.36574 0.00006 0.00672 -0.09795 109 2PX -0.00001 -0.37676 0.00006 -0.13869 -0.29034 110 2PY -0.10843 0.00000 0.00496 0.00001 0.00000 111 2PZ 0.00000 0.31862 -0.00005 -0.05641 -0.03602 112 3S 0.00001 0.91960 -0.00014 0.07160 0.12245 113 3PX 0.00001 0.79815 -0.00012 0.39774 0.43626 114 3PY 0.12639 0.00003 0.10559 -0.00001 -0.00001 115 3PZ 0.00000 -0.71003 0.00012 0.12322 0.34444 116 4XX 0.00000 -0.01089 0.00000 0.02612 0.03731 117 4YY 0.00000 0.03632 -0.00001 -0.00516 -0.00492 118 4ZZ 0.00000 -0.01434 0.00000 -0.02865 -0.01858 119 4XY 0.00484 0.00000 0.00375 0.00000 0.00000 120 4XZ 0.00000 0.01529 0.00000 0.01365 -0.00820 121 4YZ -0.00822 0.00000 -0.00878 0.00000 0.00000 122 16 C 1S 0.00852 -0.00399 -0.00859 -0.00102 0.02782 123 2S -0.00020 -0.21678 0.06367 0.08101 0.01551 124 2PX 0.01228 -0.05396 -0.10260 -0.19443 0.16424 125 2PY -0.01549 -0.31635 -0.06955 -0.02018 0.20523 126 2PZ 0.02132 0.10355 0.11320 -0.10956 -0.29641 127 3S -0.24240 0.06161 -0.06715 -0.02902 -0.07289 128 3PX -0.06025 0.04797 -0.10793 0.22597 -0.16292 129 3PY -0.09746 0.42495 -0.15085 -0.02404 -0.19052 130 3PZ -0.03029 -0.22592 0.09971 0.13187 0.32418 131 4XX -0.00107 0.00758 0.00261 0.00457 -0.00940 132 4YY 0.00314 -0.07466 0.00907 0.00700 0.01798 133 4ZZ -0.00220 0.02590 -0.00883 0.00177 0.03214 134 4XY 0.00293 0.00272 0.00245 -0.01434 0.02750 135 4XZ 0.00122 0.02771 0.00470 -0.00535 -0.02621 136 4YZ -0.00143 -0.00264 0.00129 0.02036 0.00775 137 17 C 1S -0.00852 -0.00398 0.00859 -0.00102 0.02782 138 2S 0.00020 -0.21680 -0.06360 0.08101 0.01551 139 2PX -0.01229 -0.05392 0.10261 -0.19443 0.16424 140 2PY -0.01549 0.31633 -0.06964 0.02018 -0.20522 141 2PZ -0.02132 0.10352 -0.11324 -0.10956 -0.29642 142 3S 0.24240 0.06163 0.06712 -0.02900 -0.07291 143 3PX 0.06025 0.04800 0.10792 0.22596 -0.16292 144 3PY -0.09746 -0.42499 -0.15072 0.02403 0.19053 145 3PZ 0.03029 -0.22596 -0.09964 0.13189 0.32419 146 4XX 0.00107 0.00758 -0.00261 0.00457 -0.00940 147 4YY -0.00314 -0.07467 -0.00904 0.00700 0.01798 148 4ZZ 0.00220 0.02590 0.00882 0.00177 0.03214 149 4XY 0.00293 -0.00272 0.00245 0.01434 -0.02750 150 4XZ -0.00122 0.02771 -0.00471 -0.00535 -0.02621 151 4YZ -0.00143 0.00264 0.00129 -0.02036 -0.00775 152 18 H 1S 0.00000 0.03702 -0.00001 -0.07923 -0.08959 153 2S -0.00001 0.00412 0.00000 -0.07708 -0.24451 154 19 H 1S 0.00192 -0.07821 -0.02193 0.08489 0.19782 155 2S 0.07234 -0.02442 0.02998 -0.08760 0.04192 156 20 H 1S -0.00192 -0.07820 0.02196 0.08489 0.19782 157 2S -0.07235 -0.02443 -0.02998 -0.08760 0.04191 158 21 H 1S 0.00000 0.05631 -0.00001 0.11202 0.15005 159 2S 0.00000 0.05050 -0.00001 0.09426 0.07491 160 22 O 1S 0.00186 0.01080 -0.00849 0.00174 -0.01451 161 2S -0.02441 0.05183 -0.01341 0.03067 0.13478 162 2PX -0.04320 -0.06608 0.01177 -0.02348 -0.00453 163 2PY -0.02800 -0.08563 -0.04250 0.07266 -0.11357 164 2PZ -0.01783 0.04851 -0.07973 -0.00513 -0.13822 165 3S -0.02139 -0.49416 0.13237 -0.07024 -0.26415 166 3PX 0.00346 0.04426 0.11387 -0.07300 -0.06759 167 3PY 0.01735 0.33907 0.01448 -0.01393 0.01207 168 3PZ -0.00913 -0.00440 -0.06746 -0.07321 -0.03811 169 4XX -0.00513 0.05357 -0.01306 0.00814 0.01021 170 4YY -0.01150 -0.05525 -0.01114 0.01385 0.02058 171 4ZZ -0.00653 0.04799 -0.01702 0.02073 0.02283 172 4XY -0.00423 -0.02184 0.00797 -0.01260 0.00404 173 4XZ 0.00977 0.01921 0.01773 -0.01579 0.03916 174 4YZ 0.00900 0.02333 0.00248 0.00083 -0.00755 175 23 O 1S -0.00186 0.01081 0.00849 0.00174 -0.01451 176 2S 0.02441 0.05183 0.01339 0.03067 0.13478 177 2PX 0.04320 -0.06609 -0.01176 -0.02348 -0.00453 178 2PY -0.02799 0.08561 -0.04253 -0.07265 0.11357 179 2PZ 0.01783 0.04854 0.07971 -0.00514 -0.13821 180 3S 0.02138 -0.49420 -0.13221 -0.07023 -0.26416 181 3PX -0.00346 0.04423 -0.11389 -0.07300 -0.06759 182 3PY 0.01734 -0.33907 0.01458 0.01393 -0.01207 183 3PZ 0.00913 -0.00439 0.06745 -0.07322 -0.03811 184 4XX 0.00513 0.05358 0.01304 0.00813 0.01021 185 4YY 0.01150 -0.05525 0.01116 0.01385 0.02058 186 4ZZ 0.00653 0.04799 0.01700 0.02073 0.02283 187 4XY -0.00422 0.02185 0.00796 0.01260 -0.00404 188 4XZ -0.00977 0.01920 -0.01774 -0.01579 0.03917 189 4YZ 0.00900 -0.02333 0.00248 -0.00083 0.00754 71 72 73 74 75 V V V V V Eigenvalues -- 0.52317 0.54653 0.54787 0.54867 0.56890 1 1 C 1S -0.00606 0.00088 0.00971 -0.00159 -0.04594 2 2S -0.17993 -0.02067 0.09655 0.19032 -0.09134 3 2PX -0.01263 -0.01979 -0.01831 0.19925 -0.01973 4 2PY 0.18851 -0.05069 0.00150 -0.09629 -0.23842 5 2PZ 0.04502 -0.03795 -0.16638 0.26768 -0.07352 6 3S 0.37946 -0.05701 -0.15378 -0.27920 0.97571 7 3PX -0.09674 0.01584 0.00254 -0.05825 -0.66284 8 3PY -0.22964 0.14566 0.03717 0.19689 0.32653 9 3PZ -0.04094 -0.00553 0.14601 -0.27079 0.61398 10 4XX 0.01531 0.00514 -0.00695 0.00155 0.01362 11 4YY -0.04917 -0.01491 0.01338 0.04500 -0.06037 12 4ZZ 0.00329 0.00252 0.02894 -0.01497 -0.00265 13 4XY 0.00936 0.00418 0.03018 -0.01821 0.00516 14 4XZ 0.00370 0.00465 -0.04126 0.00945 0.03635 15 4YZ -0.00032 -0.00401 -0.03193 -0.00187 -0.00602 16 2 C 1S -0.00607 -0.00088 0.00971 -0.00159 0.04594 17 2S -0.17992 0.02059 0.09655 0.19033 0.09135 18 2PX -0.01262 0.01973 -0.01831 0.19926 0.01971 19 2PY -0.18852 -0.05072 -0.00150 0.09626 -0.23844 20 2PZ 0.04502 0.03788 -0.16638 0.26770 0.07351 21 3S 0.37951 0.05713 -0.15382 -0.27919 -0.97572 22 3PX -0.09679 -0.01583 0.00257 -0.05826 0.66287 23 3PY 0.22964 0.14573 -0.03718 -0.19684 0.32657 24 3PZ -0.04090 0.00560 0.14598 -0.27080 -0.61397 25 4XX 0.01531 -0.00514 -0.00695 0.00154 -0.01362 26 4YY -0.04917 0.01489 0.01338 0.04501 0.06037 27 4ZZ 0.00329 -0.00251 0.02894 -0.01497 0.00265 28 4XY -0.00936 0.00417 -0.03018 0.01821 0.00515 29 4XZ 0.00370 -0.00464 -0.04126 0.00945 -0.03635 30 4YZ 0.00032 -0.00401 0.03193 0.00187 -0.00601 31 3 C 1S 0.00900 0.00573 -0.00060 0.00295 -0.01425 32 2S -0.00222 -0.04219 -0.05165 -0.00467 0.08406 33 2PX -0.10643 0.08829 0.06873 0.10182 0.31258 34 2PY 0.03798 -0.07509 -0.15416 -0.08932 -0.03792 35 2PZ -0.12386 -0.08030 -0.04294 0.04503 -0.10970 36 3S -0.34159 0.12827 0.16656 0.27658 1.12946 37 3PX 0.14048 -0.16508 -0.18581 -0.04919 -0.10008 38 3PY -0.32863 0.13175 0.27251 0.41212 0.75577 39 3PZ 0.35721 -0.01516 0.02040 -0.03805 -0.21558 40 4XX 0.01346 -0.00386 -0.02920 0.00053 -0.00196 41 4YY 0.01941 0.00485 0.05569 -0.00768 0.01824 42 4ZZ -0.02599 -0.00239 -0.03667 0.01718 0.00644 43 4XY 0.00180 -0.00196 0.00011 -0.01282 0.00478 44 4XZ 0.01481 -0.00895 0.00282 -0.02603 -0.04072 45 4YZ -0.03558 0.01208 0.01243 0.01929 0.02385 46 4 C 1S 0.00315 -0.00388 0.00067 0.00096 -0.00265 47 2S -0.11646 0.04273 -0.06219 0.09963 0.11669 48 2PX -0.01447 0.10519 -0.06500 0.23192 0.04362 49 2PY 0.07441 0.07390 -0.19314 0.06742 -0.05797 50 2PZ 0.27274 -0.11197 0.09912 -0.27062 -0.16945 51 3S 0.15264 -0.28485 -0.17536 -0.21787 -0.56050 52 3PX -0.00043 0.04628 0.11853 -0.26080 -0.31139 53 3PY -0.04454 -0.15973 0.25187 -0.11936 -0.31023 54 3PZ -0.32957 0.08411 -0.06048 0.35087 0.42710 55 4XX 0.00287 0.00995 0.02653 -0.03039 -0.00338 56 4YY -0.00476 -0.00935 -0.04686 0.02856 0.00367 57 4ZZ -0.01540 -0.00898 -0.00723 0.01711 -0.00004 58 4XY -0.00626 0.00236 0.02251 -0.01521 -0.00001 59 4XZ 0.02149 0.00649 -0.00210 0.01422 0.01262 60 4YZ -0.00579 -0.00418 -0.03309 -0.01492 -0.00834 61 5 C 1S 0.00316 0.00388 0.00067 0.00096 0.00265 62 2S -0.11647 -0.04276 -0.06220 0.09962 -0.11669 63 2PX -0.01446 -0.10525 -0.06501 0.23187 -0.04361 64 2PY -0.07442 0.07390 0.19315 -0.06739 -0.05797 65 2PZ 0.27275 0.11205 0.09913 -0.27060 0.16942 66 3S 0.15264 0.28494 -0.17530 -0.21778 0.56048 67 3PX -0.00045 -0.04621 0.11854 -0.26080 0.31137 68 3PY 0.04458 -0.15974 -0.25189 0.11930 -0.31022 69 3PZ -0.32958 -0.08422 -0.06051 0.35085 -0.42707 70 4XX 0.00287 -0.00994 0.02653 -0.03039 0.00338 71 4YY -0.00476 0.00935 -0.04686 0.02856 -0.00367 72 4ZZ -0.01540 0.00897 -0.00723 0.01712 0.00004 73 4XY 0.00626 0.00236 -0.02251 0.01521 -0.00001 74 4XZ 0.02149 -0.00650 -0.00211 0.01422 -0.01262 75 4YZ 0.00579 -0.00419 0.03309 0.01492 -0.00833 76 6 C 1S 0.00900 -0.00573 -0.00060 0.00295 0.01425 77 2S -0.00222 0.04220 -0.05165 -0.00466 -0.08407 78 2PX -0.10643 -0.08833 0.06872 0.10179 -0.31259 79 2PY -0.03798 -0.07514 0.15416 0.08930 -0.03792 80 2PZ -0.12387 0.08029 -0.04292 0.04506 0.10969 81 3S -0.34155 -0.12839 0.16652 0.27654 -1.12944 82 3PX 0.14052 0.16512 -0.18582 -0.04912 0.10007 83 3PY 0.32860 0.13192 -0.27248 -0.41208 0.75571 84 3PZ 0.35721 0.01517 0.02038 -0.03806 0.21563 85 4XX 0.01346 0.00386 -0.02920 0.00053 0.00196 86 4YY 0.01941 -0.00485 0.05569 -0.00768 -0.01824 87 4ZZ -0.02599 0.00239 -0.03667 0.01718 -0.00644 88 4XY -0.00180 -0.00196 -0.00011 0.01282 0.00478 89 4XZ 0.01481 0.00896 0.00282 -0.02603 0.04072 90 4YZ 0.03558 0.01209 -0.01242 -0.01929 0.02385 91 7 H 1S -0.01075 -0.01983 0.26238 -0.05631 -0.16823 92 2S -0.04800 -0.06548 -0.11997 0.01371 0.20195 93 8 H 1S -0.01075 0.01982 0.26239 -0.05630 0.16823 94 2S -0.04798 0.06549 -0.11997 0.01373 -0.20196 95 9 H 1S 0.04056 0.05751 0.26309 -0.01682 0.11273 96 2S -0.13433 0.00634 -0.08774 0.20337 0.24334 97 10 H 1S -0.00185 0.01443 0.15792 -0.13180 -0.08358 98 2S -0.01813 0.15944 0.00859 0.10861 -0.22195 99 11 H 1S -0.00185 -0.01441 0.15792 -0.13180 0.08358 100 2S -0.01813 -0.15947 0.00857 0.10856 0.22194 101 12 H 1S 0.04056 -0.05753 0.26309 -0.01684 -0.11271 102 2S -0.13432 -0.00640 -0.08775 0.20337 -0.24332 103 13 H 1S 0.06271 -0.00692 0.06174 0.05815 -0.06038 104 2S -0.05191 0.04578 -0.01768 -0.02807 -0.01688 105 14 H 1S 0.06271 0.00690 0.06174 0.05814 0.06038 106 2S -0.05190 -0.04577 -0.01769 -0.02809 0.01688 107 15 C 1S -0.01515 0.00000 -0.00356 -0.02241 0.00000 108 2S 0.14612 -0.00005 0.13295 0.25190 0.00000 109 2PX 0.06764 -0.00006 0.17497 0.28179 0.00000 110 2PY 0.00001 -0.85354 -0.00005 -0.00014 0.25747 111 2PZ -0.45837 0.00005 -0.22548 -0.30886 0.00001 112 3S -0.30168 0.00007 -0.23171 -0.34973 0.00000 113 3PX -0.11488 0.00015 -0.63216 -0.66277 0.00001 114 3PY -0.00002 1.46694 0.00009 0.00023 -0.53782 115 3PZ 0.94754 -0.00018 0.72568 0.94827 -0.00002 116 4XX 0.02771 0.00000 0.00795 0.01273 0.00000 117 4YY -0.03415 0.00001 -0.02552 -0.01969 0.00000 118 4ZZ -0.03183 0.00000 0.00561 -0.02082 0.00000 119 4XY 0.00000 0.04314 0.00000 0.00001 -0.03033 120 4XZ -0.00052 0.00001 -0.03053 -0.01655 0.00000 121 4YZ 0.00000 -0.05048 0.00000 -0.00001 0.02433 122 16 C 1S -0.00944 -0.04597 -0.00654 -0.02136 0.01977 123 2S 0.01704 0.04467 -0.16616 0.00642 -0.08455 124 2PX -0.33509 0.14708 0.29032 -0.00023 0.43680 125 2PY -0.06252 0.18020 -0.13115 -0.18672 0.07035 126 2PZ -0.13086 0.03242 0.02806 0.07938 -0.05741 127 3S -0.14350 1.08417 0.00867 -0.13911 -0.12599 128 3PX 0.40219 -0.68387 -0.54052 -0.14389 -0.89799 129 3PY 0.19260 0.72431 0.37932 0.35700 -0.13500 130 3PZ 0.17627 0.27194 0.15237 -0.03051 0.07757 131 4XX -0.02496 0.00941 -0.00440 0.00145 0.01654 132 4YY 0.00107 -0.02169 -0.03084 -0.00940 -0.00731 133 4ZZ 0.00253 0.00997 0.01540 -0.00800 0.02194 134 4XY -0.02333 0.01326 0.04768 0.00803 -0.00656 135 4XZ 0.01118 0.01143 0.01518 0.02022 -0.02834 136 4YZ 0.02613 -0.01531 -0.00185 -0.00883 -0.00055 137 17 C 1S -0.00944 0.04597 -0.00653 -0.02135 -0.01977 138 2S 0.01703 -0.04465 -0.16615 0.00641 0.08457 139 2PX -0.33509 -0.14712 0.29031 -0.00028 -0.43680 140 2PY 0.06252 0.18012 0.13117 0.18678 0.07036 141 2PZ -0.13086 -0.03246 0.02806 0.07937 0.05742 142 3S -0.14348 -1.08413 0.00851 -0.13946 0.12595 143 3PX 0.40219 0.68400 -0.54044 -0.14367 0.89800 144 3PY -0.19260 0.72449 -0.37922 -0.35677 -0.13502 145 3PZ 0.17629 -0.27192 0.15230 -0.03060 -0.07758 146 4XX -0.02496 -0.00941 -0.00440 0.00144 -0.01655 147 4YY 0.00107 0.02169 -0.03084 -0.00940 0.00732 148 4ZZ 0.00252 -0.00997 0.01540 -0.00800 -0.02194 149 4XY 0.02333 0.01327 -0.04768 -0.00803 -0.00656 150 4XZ 0.01118 -0.01144 0.01518 0.02022 0.02834 151 4YZ -0.02613 -0.01531 0.00185 0.00883 -0.00055 152 18 H 1S -0.16533 0.00004 -0.12992 -0.23028 0.00000 153 2S -0.22755 0.00006 -0.19981 -0.31391 0.00000 154 19 H 1S 0.09121 -0.08752 0.00289 -0.12370 0.04089 155 2S 0.08665 0.39139 0.31217 0.18667 0.03413 156 20 H 1S 0.09121 0.08756 0.00290 -0.12367 -0.04087 157 2S 0.08665 -0.39149 0.31212 0.18655 -0.03413 158 21 H 1S 0.06057 0.00002 -0.09351 -0.06917 0.00000 159 2S 0.03879 0.00003 -0.19558 -0.13717 0.00000 160 22 O 1S -0.00213 -0.00737 0.00118 0.00435 0.00342 161 2S -0.13987 0.09621 -0.01243 -0.15658 -0.07780 162 2PX -0.10178 -0.02723 0.07688 -0.02787 -0.10068 163 2PY 0.15665 -0.21108 0.03942 0.11674 0.14942 164 2PZ -0.08789 0.05689 -0.03760 -0.04660 0.04625 165 3S 0.61700 -0.27772 0.07861 0.56901 0.54577 166 3PX -0.00949 0.21859 -0.05017 0.00990 -0.04143 167 3PY -0.19739 0.01614 -0.02162 -0.15451 -0.09888 168 3PZ -0.12210 -0.25863 0.06383 0.01262 -0.02115 169 4XX -0.04010 0.02057 -0.01272 -0.03975 0.00342 170 4YY 0.00211 -0.00018 0.02101 -0.00634 -0.01381 171 4ZZ -0.04401 0.01483 -0.01026 -0.04215 0.00360 172 4XY -0.00353 -0.05393 0.01825 0.01259 0.00364 173 4XZ -0.03596 0.01611 0.01305 -0.02832 -0.05647 174 4YZ -0.00378 0.05930 -0.02252 -0.01785 0.00428 175 23 O 1S -0.00213 0.00737 0.00118 0.00435 -0.00342 176 2S -0.13987 -0.09616 -0.01244 -0.15661 0.07781 177 2PX -0.10178 0.02723 0.07688 -0.02786 0.10068 178 2PY -0.15664 -0.21104 -0.03944 -0.11681 0.14941 179 2PZ -0.08789 -0.05688 -0.03761 -0.04662 -0.04624 180 3S 0.61700 0.27753 0.07864 0.56911 -0.54577 181 3PX -0.00949 -0.21858 -0.05020 0.00982 0.04144 182 3PY 0.19739 0.01608 0.02162 0.15452 -0.09889 183 3PZ -0.12210 0.25862 0.06387 0.01271 0.02114 184 4XX -0.04010 -0.02056 -0.01272 -0.03976 -0.00342 185 4YY 0.00211 0.00018 0.02101 -0.00634 0.01381 186 4ZZ -0.04401 -0.01481 -0.01026 -0.04215 -0.00359 187 4XY 0.00353 -0.05393 -0.01826 -0.01261 0.00364 188 4XZ -0.03596 -0.01611 0.01304 -0.02833 0.05646 189 4YZ 0.00378 0.05929 0.02253 0.01787 0.00428 76 77 78 79 80 V V V V V Eigenvalues -- 0.57935 0.60744 0.61336 0.61823 0.63631 1 1 C 1S 0.02297 0.01987 -0.00850 -0.02373 0.02650 2 2S -0.06302 -0.14436 -0.12622 -0.22310 -0.02179 3 2PX 0.22307 -0.05262 -0.48227 -0.08619 -0.26956 4 2PY -0.28145 -0.11549 -0.06874 0.17276 0.07862 5 2PZ -0.12519 -0.25486 -0.26134 0.06399 -0.15256 6 3S -0.04688 0.00763 0.11454 0.67912 -0.29968 7 3PX -0.19937 0.31611 0.61772 -0.09352 0.61324 8 3PY 0.30226 -0.24873 0.23437 -0.19747 0.08385 9 3PZ 0.02638 -0.02200 0.09243 0.11242 -0.09981 10 4XX -0.01057 0.00316 0.01416 -0.02515 0.02657 11 4YY 0.02672 -0.01809 -0.00206 -0.04658 0.01843 12 4ZZ 0.00417 0.00133 -0.06270 0.00915 -0.02956 13 4XY -0.01575 -0.00191 0.02490 -0.01466 -0.01089 14 4XZ -0.01699 -0.01540 0.04332 0.03475 -0.01490 15 4YZ 0.02142 0.00097 0.02860 0.02743 -0.00042 16 2 C 1S 0.02297 -0.01987 -0.00850 -0.02373 -0.02650 17 2S -0.06302 0.14435 -0.12625 -0.22309 0.02180 18 2PX 0.22308 0.05252 -0.48229 -0.08617 0.26956 19 2PY 0.28144 -0.11547 0.06877 -0.17278 0.07862 20 2PZ -0.12517 0.25479 -0.26140 0.06402 0.15256 21 3S -0.04695 -0.00766 0.11457 0.67913 0.29963 22 3PX -0.19931 -0.31597 0.61778 -0.09357 -0.61323 23 3PY -0.30223 -0.24880 -0.23432 0.19744 0.08384 24 3PZ 0.02632 0.02201 0.09245 0.11242 0.09981 25 4XX -0.01057 -0.00315 0.01417 -0.02515 -0.02656 26 4YY 0.02672 0.01809 -0.00206 -0.04657 -0.01843 27 4ZZ 0.00417 -0.00134 -0.06270 0.00915 0.02956 28 4XY 0.01575 -0.00192 -0.02490 0.01466 -0.01089 29 4XZ -0.01699 0.01540 0.04332 0.03475 0.01490 30 4YZ -0.02142 0.00097 -0.02860 -0.02743 -0.00042 31 3 C 1S -0.04632 0.03204 -0.00301 0.02864 -0.00125 32 2S 0.00220 0.03532 -0.14758 -0.06691 0.05546 33 2PX -0.02264 0.01879 -0.15843 0.19090 0.12214 34 2PY 0.11243 -0.11477 -0.06947 0.08331 -0.01320 35 2PZ 0.00278 0.12851 -0.05841 0.22816 0.47155 36 3S -0.11873 0.08082 0.47113 -0.23592 -0.47029 37 3PX 0.30235 -0.45281 0.09855 -0.42896 -0.18794 38 3PY -0.07624 0.24754 0.41854 -0.77701 -0.26966 39 3PZ -0.12625 0.32261 0.05053 -0.09677 -0.60599 40 4XX 0.02317 -0.01962 -0.01650 0.03103 0.01820 41 4YY -0.03220 0.03853 -0.02959 -0.03259 -0.01886 42 4ZZ -0.04533 0.03158 0.02859 0.01867 0.00444 43 4XY -0.03578 0.02177 -0.02098 0.01417 0.02065 44 4XZ 0.06397 -0.05133 -0.02244 -0.00528 0.01099 45 4YZ -0.01035 0.03618 -0.02632 0.01174 0.01810 46 4 C 1S 0.01475 -0.00272 -0.00443 -0.00859 0.02528 47 2S -0.12543 0.14552 0.01704 -0.01993 -0.23402 48 2PX -0.00935 0.09587 0.16365 -0.06148 -0.07823 49 2PY 0.24631 0.04729 0.05483 -0.33683 -0.31944 50 2PZ 0.33540 -0.38613 -0.05331 0.02694 -0.01533 51 3S 0.33031 -0.51273 -0.01839 -0.10276 1.00022 52 3PX -0.05094 -0.20308 -0.29595 0.19833 0.18667 53 3PY -0.35146 0.01239 -0.17869 0.64569 0.75629 54 3PZ -0.39517 1.03852 0.28610 -0.19719 -0.11145 55 4XX -0.00545 -0.01705 -0.02317 0.03487 -0.03157 56 4YY 0.01432 0.00225 0.02675 -0.06352 0.03133 57 4ZZ -0.00033 0.02032 -0.00271 0.00944 0.00900 58 4XY -0.01813 0.00334 -0.01066 -0.00904 -0.00516 59 4XZ 0.00126 -0.00808 0.00997 0.01346 -0.02601 60 4YZ 0.00831 0.00058 0.00250 0.04210 0.01762 61 5 C 1S 0.01475 0.00271 -0.00443 -0.00859 -0.02528 62 2S -0.12543 -0.14551 0.01708 -0.01994 0.23402 63 2PX -0.00934 -0.09583 0.16367 -0.06147 0.07823 64 2PY -0.24634 0.04724 -0.05485 0.33683 -0.31945 65 2PZ 0.33540 0.38611 -0.05340 0.02699 0.01530 66 3S 0.33032 0.51274 -0.01853 -0.10272 -1.00022 67 3PX -0.05094 0.20300 -0.29600 0.19832 -0.18667 68 3PY 0.35147 0.01251 0.17871 -0.64568 0.75631 69 3PZ -0.39518 -1.03844 0.28637 -0.19732 0.11151 70 4XX -0.00545 0.01704 -0.02318 0.03487 0.03157 71 4YY 0.01432 -0.00224 0.02675 -0.06351 -0.03133 72 4ZZ -0.00033 -0.02032 -0.00270 0.00943 -0.00900 73 4XY 0.01813 0.00334 0.01066 0.00904 -0.00516 74 4XZ 0.00126 0.00808 0.00996 0.01346 0.02601 75 4YZ -0.00831 0.00058 -0.00250 -0.04210 0.01762 76 6 C 1S -0.04632 -0.03205 -0.00301 0.02864 0.00125 77 2S 0.00219 -0.03535 -0.14757 -0.06691 -0.05547 78 2PX -0.02267 -0.01884 -0.15841 0.19088 -0.12214 79 2PY -0.11243 -0.11475 0.06949 -0.08332 -0.01318 80 2PZ 0.00278 -0.12854 -0.05838 0.22813 -0.47155 81 3S -0.11881 -0.08071 0.47119 -0.23593 0.47031 82 3PX 0.30235 0.45287 0.09845 -0.42890 0.18796 83 3PY 0.07629 0.24741 -0.41862 0.77703 -0.26972 84 3PZ -0.12621 -0.32261 0.05058 -0.09675 0.60597 85 4XX 0.02317 0.01961 -0.01651 0.03103 -0.01821 86 4YY -0.03220 -0.03854 -0.02958 -0.03259 0.01886 87 4ZZ -0.04533 -0.03157 0.02860 0.01867 -0.00444 88 4XY 0.03578 0.02178 0.02097 -0.01417 0.02064 89 4XZ 0.06397 0.05133 -0.02245 -0.00528 -0.01099 90 4YZ 0.01035 0.03618 0.02631 -0.01174 0.01810 91 7 H 1S 0.01114 0.04072 -0.20317 -0.23036 0.06942 92 2S 0.00019 -0.13970 -0.08630 0.12267 -0.16896 93 8 H 1S 0.01116 -0.04074 -0.20317 -0.23035 -0.06940 94 2S 0.00017 0.13968 -0.08632 0.12269 0.16895 95 9 H 1S -0.23791 0.16236 -0.10863 -0.05967 -0.02499 96 2S 0.00855 0.03252 0.24797 -0.31252 -0.05900 97 10 H 1S -0.01265 -0.06815 -0.15692 0.00606 0.03310 98 2S -0.01757 -0.01855 -0.09276 0.12513 0.13489 99 11 H 1S -0.01265 0.06812 -0.15694 0.00607 -0.03310 100 2S -0.01755 0.01852 -0.09277 0.12515 -0.13489 101 12 H 1S -0.23792 -0.16238 -0.10859 -0.05968 0.02500 102 2S 0.00854 -0.03245 0.24799 -0.31252 0.05901 103 13 H 1S 0.02456 0.02252 -0.06169 0.03828 -0.04348 104 2S 0.03051 0.10390 -0.06999 0.06533 -0.16978 105 14 H 1S 0.02457 -0.02254 -0.06168 0.03828 0.04348 106 2S 0.03051 -0.10392 -0.06995 0.06532 0.16977 107 15 C 1S 0.00671 0.00000 -0.00311 0.00174 0.00000 108 2S -0.03536 0.00000 0.00721 -0.03274 0.00000 109 2PX 0.08775 0.00000 0.02116 -0.02750 0.00000 110 2PY 0.00001 0.04604 -0.00001 0.00001 -0.00714 111 2PZ -0.04556 0.00000 -0.08451 -0.12318 0.00000 112 3S -0.01870 0.00000 0.07415 0.07536 -0.00001 113 3PX -0.46570 -0.00002 -0.14457 -0.05319 0.00000 114 3PY -0.00002 -0.09955 0.00002 -0.00002 0.07581 115 3PZ 0.29351 0.00002 0.34151 0.52029 -0.00001 116 4XX 0.00061 0.00000 0.01687 0.00843 0.00000 117 4YY -0.00666 0.00000 -0.01212 0.01984 0.00000 118 4ZZ 0.00258 0.00000 -0.01032 -0.02786 0.00000 119 4XY 0.00000 0.02054 0.00000 0.00000 -0.01141 120 4XZ -0.03119 0.00000 -0.01173 -0.03021 0.00000 121 4YZ 0.00000 -0.00656 0.00000 0.00000 -0.00525 122 16 C 1S -0.00533 0.01846 -0.01199 -0.00898 -0.01499 123 2S -0.34788 0.22839 -0.13622 -0.21689 0.14387 124 2PX 0.10732 -0.17633 0.12774 0.04004 0.01436 125 2PY 0.06059 -0.33693 -0.16185 0.06938 0.23760 126 2PZ -0.12506 0.23664 0.04722 -0.12706 -0.11712 127 3S 0.64554 -0.66048 -0.03083 0.46158 -0.68297 128 3PX -0.26523 0.53542 -0.14757 -0.14166 -0.17580 129 3PY -0.16195 0.33531 0.39317 -0.20955 -0.76955 130 3PZ 0.19567 -0.51818 0.00425 0.06531 -0.15675 131 4XX 0.01625 -0.02777 -0.02564 0.00532 0.05021 132 4YY -0.03595 0.06435 -0.03863 -0.01187 -0.04352 133 4ZZ -0.01961 -0.00801 0.02289 -0.02909 0.00401 134 4XY 0.01725 -0.00329 0.01258 0.01360 -0.00558 135 4XZ 0.01730 0.00245 0.01810 0.01522 0.00563 136 4YZ -0.04665 0.00509 -0.00042 -0.05780 -0.00839 137 17 C 1S -0.00533 -0.01846 -0.01198 -0.00898 0.01499 138 2S -0.34788 -0.22841 -0.13618 -0.21691 -0.14386 139 2PX 0.10730 0.17637 0.12771 0.04004 -0.01435 140 2PY -0.06057 -0.33688 0.16192 -0.06938 0.23760 141 2PZ -0.12506 -0.23662 0.04727 -0.12707 0.11713 142 3S 0.64556 0.66047 -0.03097 0.46165 0.68293 143 3PX -0.26518 -0.53546 -0.14748 -0.14166 0.17580 144 3PY 0.16192 0.33521 -0.39325 0.20953 -0.76956 145 3PZ 0.19568 0.51819 0.00413 0.06535 0.15673 146 4XX 0.01625 0.02776 -0.02565 0.00532 -0.05021 147 4YY -0.03595 -0.06436 -0.03861 -0.01187 0.04352 148 4ZZ -0.01961 0.00802 0.02288 -0.02909 -0.00401 149 4XY -0.01725 -0.00329 -0.01258 -0.01360 -0.00558 150 4XZ 0.01730 -0.00245 0.01810 0.01522 -0.00563 151 4YZ 0.04665 0.00509 0.00042 0.05780 -0.00840 152 18 H 1S -0.08737 -0.00001 -0.10537 -0.19902 0.00001 153 2S -0.05859 -0.00001 -0.14872 -0.19919 0.00000 154 19 H 1S -0.17113 0.09523 -0.00244 -0.28338 -0.20250 155 2S 0.04868 -0.04651 0.18008 0.01043 -0.24493 156 20 H 1S -0.17113 -0.09522 -0.00242 -0.28337 0.20252 157 2S 0.04869 0.04654 0.18007 0.01044 0.24493 158 21 H 1S -0.08725 0.00000 0.00107 -0.02250 0.00000 159 2S -0.20517 -0.00001 -0.09485 -0.00120 0.00000 160 22 O 1S 0.00312 0.00518 -0.00036 0.00267 -0.00252 161 2S -0.02577 -0.02868 -0.01993 -0.06322 0.05442 162 2PX 0.05917 0.07571 -0.00532 -0.03000 -0.01940 163 2PY -0.10314 -0.09278 0.03128 -0.13870 0.02636 164 2PZ -0.03146 -0.05435 -0.04674 -0.04798 -0.04086 165 3S -0.12419 -0.39301 0.09166 0.00198 -0.03974 166 3PX -0.10639 -0.16420 0.02301 -0.05355 0.02377 167 3PY 0.01751 0.07622 0.03007 0.02716 0.03783 168 3PZ 0.10300 0.11048 -0.00082 0.02978 -0.03688 169 4XX -0.03161 -0.04999 0.00153 -0.03265 0.03823 170 4YY -0.00102 0.00503 -0.00500 -0.02292 0.00362 171 4ZZ -0.00325 -0.00952 -0.00513 -0.01442 0.00613 172 4XY 0.01986 0.01736 -0.00226 0.02096 0.00113 173 4XZ 0.03222 0.05520 0.00743 0.01458 -0.01013 174 4YZ -0.00811 -0.01179 -0.00720 -0.00978 -0.00319 175 23 O 1S 0.00312 -0.00518 -0.00036 0.00267 0.00252 176 2S -0.02577 0.02868 -0.01994 -0.06322 -0.05441 177 2PX 0.05918 -0.07570 -0.00531 -0.03000 0.01941 178 2PY 0.10315 -0.09279 -0.03127 0.13870 0.02635 179 2PZ -0.03146 0.05434 -0.04675 -0.04797 0.04087 180 3S -0.12422 0.39301 0.09159 0.00198 0.03974 181 3PX -0.10639 0.16421 0.02298 -0.05354 -0.02376 182 3PY -0.01752 0.07621 -0.03008 -0.02716 0.03783 183 3PZ 0.10300 -0.11047 -0.00079 0.02977 0.03687 184 4XX -0.03161 0.04999 0.00152 -0.03265 -0.03822 185 4YY -0.00102 -0.00502 -0.00500 -0.02292 -0.00362 186 4ZZ -0.00325 0.00952 -0.00513 -0.01442 -0.00613 187 4XY -0.01987 0.01736 0.00225 -0.02095 0.00113 188 4XZ 0.03223 -0.05520 0.00744 0.01458 0.01013 189 4YZ 0.00811 -0.01179 0.00721 0.00978 -0.00319 81 82 83 84 85 V V V V V Eigenvalues -- 0.66309 0.67863 0.71283 0.72293 0.74094 1 1 C 1S -0.04388 -0.04067 -0.02179 -0.00066 0.02249 2 2S 0.18410 -0.01599 -0.19129 0.03954 -0.11323 3 2PX -0.42786 0.01926 0.02954 0.14863 -0.36930 4 2PY -0.24118 -0.19980 0.19005 -0.00907 0.10200 5 2PZ -0.16980 -0.06716 0.12722 0.11303 -0.23457 6 3S -0.68022 -0.05608 -0.49768 0.33065 0.36040 7 3PX 0.68465 -0.01982 0.17978 -0.43525 0.95764 8 3PY 0.61396 -0.00950 -0.28704 0.08004 -0.15901 9 3PZ 0.27659 0.18081 -0.44495 -0.17988 0.40916 10 4XX 0.01810 -0.00021 -0.01719 -0.00204 -0.00082 11 4YY -0.05570 -0.03386 -0.03659 0.00921 0.01785 12 4ZZ -0.00471 -0.01634 -0.01255 0.00319 -0.01676 13 4XY 0.00623 -0.00961 0.05107 -0.03838 -0.00901 14 4XZ 0.04063 0.04481 0.05957 -0.00283 -0.01294 15 4YZ -0.01271 0.00701 -0.03755 0.01357 0.00663 16 2 C 1S 0.04389 0.04067 -0.02179 -0.00066 -0.02249 17 2S -0.18409 0.01599 -0.19129 0.03953 0.11325 18 2PX 0.42785 -0.01926 0.02956 0.14865 0.36930 19 2PY -0.24117 -0.19981 -0.19004 0.00907 0.10198 20 2PZ 0.16978 0.06716 0.12722 0.11305 0.23461 21 3S 0.68021 0.05610 -0.49769 0.33067 -0.36048 22 3PX -0.68464 0.01981 0.17978 -0.43532 -0.95763 23 3PY 0.61394 -0.00949 0.28707 -0.08004 -0.15895 24 3PZ -0.27657 -0.18080 -0.44498 -0.17989 -0.40920 25 4XX -0.01810 0.00021 -0.01719 -0.00204 0.00082 26 4YY 0.05570 0.03386 -0.03660 0.00921 -0.01785 27 4ZZ 0.00471 0.01634 -0.01255 0.00319 0.01676 28 4XY 0.00623 -0.00961 -0.05107 0.03838 -0.00900 29 4XZ -0.04063 -0.04481 0.05957 -0.00283 0.01294 30 4YZ -0.01271 0.00701 0.03755 -0.01357 0.00663 31 3 C 1S -0.01596 0.00039 0.01539 0.00177 -0.01016 32 2S 0.13197 0.19974 -0.31507 -0.15351 -0.06518 33 2PX 0.20702 0.02791 -0.22048 -0.27940 -0.33085 34 2PY 0.09177 0.22001 -0.38877 0.10206 0.03102 35 2PZ -0.16106 -0.02600 0.03760 -0.57863 -0.07851 36 3S -0.52194 -0.56579 0.75170 0.51791 -0.17619 37 3PX 0.05434 -0.06074 0.79426 0.18671 0.62118 38 3PY -0.31359 -0.59593 0.95238 -0.28792 -0.04448 39 3PZ 0.20157 0.12247 -0.14147 1.37129 0.13363 40 4XX 0.03423 0.01574 -0.00043 0.00463 0.00739 41 4YY -0.02155 0.01496 0.02482 -0.04486 0.00827 42 4ZZ -0.01794 -0.02117 -0.01898 0.02188 -0.03448 43 4XY -0.01044 0.01117 -0.00614 -0.01329 -0.01577 44 4XZ 0.03370 -0.00780 -0.01102 -0.00163 0.00902 45 4YZ 0.02063 -0.02493 -0.01127 0.01102 -0.00453 46 4 C 1S -0.01275 0.02764 0.00405 -0.02146 0.00407 47 2S 0.06146 -0.31582 -0.10741 0.11663 -0.02067 48 2PX -0.07095 0.01411 0.09429 0.04715 0.06430 49 2PY 0.29712 -0.45357 0.08287 -0.29161 0.06678 50 2PZ 0.11989 0.24324 -0.14120 -0.10986 0.12074 51 3S -0.24951 1.09495 0.30096 -0.91082 -0.10601 52 3PX 0.11579 0.11585 -0.30573 -0.18947 -0.20495 53 3PY -0.62678 1.47146 -0.38936 0.66665 -0.24690 54 3PZ -0.33527 -0.97872 0.40937 0.37636 -0.37421 55 4XX 0.01801 -0.00982 -0.02295 0.03435 0.00570 56 4YY -0.02989 0.03741 0.01020 -0.01434 -0.00687 57 4ZZ 0.00502 -0.02596 0.00646 -0.04539 0.00191 58 4XY -0.00144 0.00092 -0.01800 0.02752 -0.00017 59 4XZ 0.00004 0.01834 0.01213 0.00582 0.00855 60 4YZ -0.00862 0.00201 -0.06661 0.00366 -0.00239 61 5 C 1S 0.01275 -0.02764 0.00405 -0.02146 -0.00407 62 2S -0.06146 0.31582 -0.10741 0.11663 0.02068 63 2PX 0.07095 -0.01412 0.09428 0.04716 -0.06431 64 2PY 0.29711 -0.45355 -0.08286 0.29162 0.06676 65 2PZ -0.11987 -0.24325 -0.14121 -0.10986 -0.12069 66 3S 0.24952 -1.09497 0.30095 -0.91080 0.10607 67 3PX -0.11579 -0.11583 -0.30568 -0.18948 0.20497 68 3PY -0.62677 1.47141 0.38933 -0.66668 -0.24689 69 3PZ 0.33525 0.97877 0.40942 0.37636 0.37406 70 4XX -0.01801 0.00983 -0.02295 0.03435 -0.00570 71 4YY 0.02989 -0.03741 0.01020 -0.01433 0.00687 72 4ZZ -0.00502 0.02596 0.00646 -0.04539 -0.00191 73 4XY -0.00144 0.00092 0.01800 -0.02752 -0.00017 74 4XZ -0.00004 -0.01834 0.01213 0.00582 -0.00855 75 4YZ -0.00862 0.00201 0.06661 -0.00365 -0.00240 76 6 C 1S 0.01596 -0.00039 0.01539 0.00177 0.01016 77 2S -0.13197 -0.19973 -0.31507 -0.15351 0.06523 78 2PX -0.20702 -0.02792 -0.22048 -0.27939 0.33079 79 2PY 0.09177 0.22000 0.38878 -0.10204 0.03098 80 2PZ 0.16107 0.02601 0.03762 -0.57862 0.07858 81 3S 0.52196 0.56577 0.75168 0.51794 0.17610 82 3PX -0.05434 0.06073 0.79423 0.18671 -0.62109 83 3PY -0.31361 -0.59590 -0.95237 0.28788 -0.04439 84 3PZ -0.20159 -0.12248 -0.14149 1.37127 -0.13379 85 4XX -0.03423 -0.01574 -0.00043 0.00463 -0.00739 86 4YY 0.02155 -0.01495 0.02482 -0.04486 -0.00827 87 4ZZ 0.01794 0.02117 -0.01897 0.02188 0.03448 88 4XY -0.01044 0.01117 0.00613 0.01329 -0.01578 89 4XZ -0.03370 0.00780 -0.01103 -0.00164 -0.00902 90 4YZ 0.02063 -0.02493 0.01127 -0.01103 -0.00453 91 7 H 1S -0.15106 -0.17449 -0.03550 -0.04071 0.03720 92 2S -0.04247 0.24948 -0.17667 0.10212 -0.11772 93 8 H 1S 0.15106 0.17449 -0.03550 -0.04070 -0.03723 94 2S 0.04246 -0.24947 -0.17668 0.10214 0.11774 95 9 H 1S -0.14272 0.13516 0.05767 -0.09197 0.02553 96 2S 0.00295 -0.13460 0.31160 -0.05814 -0.02091 97 10 H 1S -0.02427 0.14086 -0.07610 0.01297 0.05509 98 2S -0.07958 0.35717 -0.19636 -0.08552 -0.07309 99 11 H 1S 0.02427 -0.14085 -0.07609 0.01297 -0.05506 100 2S 0.07958 -0.35717 -0.19635 -0.08552 0.07313 101 12 H 1S 0.14273 -0.13516 0.05768 -0.09197 -0.02552 102 2S -0.00295 0.13459 0.31161 -0.05815 0.02087 103 13 H 1S 0.02149 -0.19716 0.07252 -0.18926 0.00228 104 2S 0.05709 -0.36654 -0.28894 0.09136 -0.09150 105 14 H 1S -0.02149 0.19715 0.07252 -0.18927 -0.00227 106 2S -0.05709 0.36655 -0.28893 0.09137 0.09156 107 15 C 1S 0.00000 0.00000 -0.00782 -0.00063 0.00000 108 2S 0.00000 0.00000 -0.02791 0.03200 -0.00001 109 2PX 0.00000 0.00000 0.14202 -0.04272 0.00000 110 2PY 0.00692 -0.11714 0.00000 0.00000 0.00316 111 2PZ 0.00000 -0.00001 0.19918 -0.00975 0.00000 112 3S 0.00000 0.00001 0.07488 -0.03194 0.00003 113 3PX 0.00000 0.00001 -0.55968 0.11935 0.00000 114 3PY -0.02812 0.23164 0.00001 0.00000 0.09583 115 3PZ -0.00001 0.00001 -0.30154 0.09420 0.00003 116 4XX 0.00000 0.00000 -0.01673 0.00899 0.00000 117 4YY 0.00000 0.00000 0.00980 0.02204 0.00000 118 4ZZ 0.00000 0.00000 0.00295 -0.01697 0.00000 119 4XY 0.01310 0.01828 0.00000 0.00000 -0.02575 120 4XZ 0.00000 0.00000 -0.03375 -0.01118 0.00000 121 4YZ -0.00173 -0.01543 0.00000 0.00000 0.01046 122 16 C 1S -0.00159 0.01345 0.00636 -0.01662 -0.00627 123 2S 0.09429 -0.02708 -0.16155 -0.11919 -0.33761 124 2PX -0.29348 -0.08910 -0.01234 0.09406 0.31931 125 2PY 0.09446 -0.20688 0.16814 0.02572 -0.38109 126 2PZ -0.10986 0.05381 -0.22056 0.06935 -0.00957 127 3S -0.51540 0.34666 0.49835 0.50486 1.87005 128 3PX 0.68345 0.25197 -0.15941 -0.02828 -1.00541 129 3PY -0.32291 0.69175 -0.37794 -0.19779 1.04116 130 3PZ 0.05499 0.03156 0.45954 0.00721 0.60730 131 4XX 0.01614 -0.03512 0.03096 -0.02274 -0.01324 132 4YY -0.01973 0.03974 0.00459 -0.01106 0.05510 133 4ZZ -0.00312 0.00451 -0.03594 0.00306 -0.02735 134 4XY -0.00430 0.00343 0.03107 0.02836 0.01761 135 4XZ 0.00650 0.00722 -0.00863 0.00055 -0.00376 136 4YZ 0.00048 0.00722 0.00739 -0.00892 -0.00474 137 17 C 1S 0.00159 -0.01345 0.00636 -0.01662 0.00627 138 2S -0.09428 0.02708 -0.16153 -0.11920 0.33762 139 2PX 0.29348 0.08910 -0.01233 0.09405 -0.31926 140 2PY 0.09446 -0.20688 -0.16815 -0.02571 -0.38108 141 2PZ 0.10987 -0.05382 -0.22055 0.06935 0.00958 142 3S 0.51538 -0.34666 0.49828 0.50488 -1.87005 143 3PX -0.68344 -0.25197 -0.15941 -0.02826 1.00536 144 3PY -0.32293 0.69176 0.37798 0.19776 1.04115 145 3PZ -0.05501 -0.03154 0.45951 0.00722 -0.60728 146 4XX -0.01614 0.03512 0.03096 -0.02274 0.01324 147 4YY 0.01973 -0.03974 0.00459 -0.01106 -0.05511 148 4ZZ 0.00312 -0.00451 -0.03594 0.00306 0.02735 149 4XY -0.00430 0.00343 -0.03107 -0.02836 0.01761 150 4XZ -0.00650 -0.00722 -0.00863 0.00055 0.00376 151 4YZ 0.00048 0.00722 -0.00739 0.00892 -0.00475 152 18 H 1S 0.00000 0.00000 -0.08961 -0.09415 -0.00001 153 2S 0.00000 -0.00001 0.25210 0.00824 -0.00002 154 19 H 1S -0.02603 0.17398 0.04818 -0.06173 -0.07844 155 2S -0.06708 0.13578 0.01426 -0.06303 0.39540 156 20 H 1S 0.02604 -0.17398 0.04817 -0.06172 0.07846 157 2S 0.06709 -0.13578 0.01424 -0.06303 -0.39543 158 21 H 1S 0.00000 0.00000 -0.21833 -0.02977 -0.00001 159 2S 0.00000 0.00000 -0.28155 0.08686 0.00000 160 22 O 1S 0.00051 0.00501 0.00675 0.00640 -0.00806 161 2S 0.03359 -0.00151 -0.02273 0.00865 -0.04023 162 2PX 0.05319 0.09551 0.18946 0.02535 -0.09265 163 2PY -0.02601 -0.10266 -0.10302 -0.06964 0.07015 164 2PZ 0.00895 0.10322 0.08252 0.01069 -0.05268 165 3S -0.25041 -0.25314 -0.28652 -0.18799 0.61524 166 3PX -0.04275 -0.08567 -0.22133 -0.10742 0.24798 167 3PY 0.05042 0.05916 0.07818 0.06089 -0.16546 168 3PZ 0.06208 -0.02943 0.03331 0.01419 -0.09696 169 4XX 0.00802 -0.02370 -0.04355 0.00606 -0.00328 170 4YY 0.00429 0.01188 -0.00046 -0.00066 0.00726 171 4ZZ 0.00240 -0.00408 0.00701 0.00570 -0.02205 172 4XY 0.00576 -0.00622 0.00989 0.00274 -0.02694 173 4XZ 0.01986 0.01617 0.02284 0.00368 -0.03066 174 4YZ -0.02323 0.00583 -0.00950 -0.01710 0.04016 175 23 O 1S -0.00051 -0.00501 0.00675 0.00640 0.00806 176 2S -0.03358 0.00150 -0.02273 0.00865 0.04022 177 2PX -0.05319 -0.09551 0.18946 0.02535 0.09267 178 2PY -0.02601 -0.10266 0.10302 0.06964 0.07014 179 2PZ -0.00895 -0.10323 0.08251 0.01070 0.05267 180 3S 0.25041 0.25314 -0.28652 -0.18800 -0.61523 181 3PX 0.04276 0.08567 -0.22133 -0.10743 -0.24799 182 3PY 0.05042 0.05916 -0.07819 -0.06089 -0.16546 183 3PZ -0.06208 0.02943 0.03332 0.01419 0.09697 184 4XX -0.00802 0.02370 -0.04355 0.00606 0.00328 185 4YY -0.00429 -0.01189 -0.00046 -0.00066 -0.00726 186 4ZZ -0.00240 0.00408 0.00701 0.00570 0.02205 187 4XY 0.00576 -0.00622 -0.00990 -0.00274 -0.02694 188 4XZ -0.01986 -0.01617 0.02284 0.00368 0.03066 189 4YZ -0.02323 0.00583 0.00950 0.01710 0.04016 86 87 88 89 90 V V V V V Eigenvalues -- 0.75190 0.77536 0.79575 0.79877 0.81070 1 1 C 1S 0.02615 -0.00435 0.01007 -0.00283 0.00895 2 2S -0.18323 0.00529 0.02146 -0.10195 -0.01147 3 2PX -0.00047 -0.01308 -0.15216 0.00874 -0.07108 4 2PY -0.17744 0.09378 -0.07413 0.41296 -0.05470 5 2PZ -0.20909 0.05865 -0.01448 0.05197 0.00634 6 3S 0.63267 -0.79570 -0.00479 1.19705 0.04457 7 3PX -0.02013 0.23356 0.20500 -0.73927 0.09448 8 3PY 0.45068 -0.33676 0.08857 -0.93619 0.05487 9 3PZ 0.28729 -0.28214 -0.06404 0.46142 -0.08830 10 4XX 0.01614 -0.00731 0.01226 -0.02296 -0.00285 11 4YY 0.00609 -0.01562 -0.00027 0.05608 -0.00166 12 4ZZ -0.01694 0.00735 -0.00271 -0.02453 0.01068 13 4XY 0.00135 0.03612 0.02546 0.00657 0.01305 14 4XZ -0.03203 0.01441 -0.02364 0.01563 -0.01705 15 4YZ 0.01577 -0.05234 -0.02052 -0.01725 -0.01244 16 2 C 1S 0.02615 -0.00435 0.01007 0.00283 0.00895 17 2S -0.18320 0.00529 0.02146 0.10196 -0.01146 18 2PX -0.00041 -0.01307 -0.15216 -0.00876 -0.07107 19 2PY 0.17747 -0.09376 0.07409 0.41297 0.05474 20 2PZ -0.20905 0.05864 -0.01448 -0.05196 0.00634 21 3S 0.63259 -0.79570 -0.00466 -1.19699 0.04453 22 3PX -0.02028 0.23356 0.20492 0.73927 0.09446 23 3PY -0.45072 0.33675 -0.08847 -0.93619 -0.05494 24 3PZ 0.28720 -0.28215 -0.06400 -0.46144 -0.08834 25 4XX 0.01614 -0.00730 0.01226 0.02296 -0.00285 26 4YY 0.00609 -0.01563 -0.00026 -0.05608 -0.00166 27 4ZZ -0.01694 0.00735 -0.00271 0.02453 0.01069 28 4XY -0.00135 -0.03612 -0.02546 0.00658 -0.01305 29 4XZ -0.03202 0.01441 -0.02364 -0.01563 -0.01705 30 4YZ -0.01577 0.05234 0.02052 -0.01726 0.01244 31 3 C 1S -0.00365 -0.00522 -0.00441 -0.01244 -0.00369 32 2S -0.17617 -0.08612 0.11669 0.14777 -0.00298 33 2PX 0.41632 -0.21911 -0.10491 0.33532 -0.05434 34 2PY -0.22951 -0.15285 0.07242 -0.01570 0.06696 35 2PZ -0.27857 0.08728 -0.02456 0.12345 -0.05969 36 3S 0.19711 0.49479 0.00084 0.06465 0.16003 37 3PX -0.69227 0.69087 0.20484 -0.06798 0.08282 38 3PY 0.47348 0.59510 0.02696 0.41727 -0.08716 39 3PZ 0.77552 -0.49076 0.10601 -0.62846 0.13165 40 4XX -0.02387 -0.01242 -0.01284 0.01377 0.00265 41 4YY -0.00046 0.00933 0.02460 0.03470 0.00564 42 4ZZ -0.00088 0.00542 -0.00009 -0.03136 -0.01209 43 4XY -0.03315 0.02530 0.01053 -0.02774 -0.00229 44 4XZ 0.03610 0.00902 -0.00063 -0.01366 -0.00640 45 4YZ 0.01606 -0.00938 -0.00111 0.00122 -0.00263 46 4 C 1S -0.01431 0.00145 0.01022 0.00338 0.00159 47 2S -0.07859 0.05352 0.08792 -0.05464 0.13044 48 2PX -0.00148 0.01243 0.00123 0.02163 -0.23541 49 2PY -0.08160 0.14041 0.03148 0.15124 -0.02884 50 2PZ -0.19751 0.00084 0.01145 0.04067 -0.00155 51 3S -0.21579 0.31062 -0.24856 -0.06215 -0.33429 52 3PX -0.06528 -0.22153 -0.12683 -0.26937 0.25683 53 3PY 0.03248 -0.42750 0.07833 -0.90934 0.14256 54 3PZ 0.70990 -0.01483 -0.13308 -0.16222 -0.05200 55 4XX -0.00972 -0.01234 0.01484 -0.03258 -0.00055 56 4YY -0.00112 0.03901 -0.00644 -0.01823 0.00517 57 4ZZ -0.02406 -0.00855 0.01127 0.04477 0.01804 58 4XY -0.00158 -0.01422 -0.05780 -0.01105 -0.06488 59 4XZ 0.01089 -0.03286 0.02162 0.05817 0.03924 60 4YZ -0.06528 -0.02028 -0.01703 -0.00414 -0.01555 61 5 C 1S -0.01431 0.00145 0.01022 -0.00338 0.00159 62 2S -0.07858 0.05352 0.08792 0.05465 0.13045 63 2PX -0.00151 0.01242 0.00123 -0.02161 -0.23544 64 2PY 0.08161 -0.14042 -0.03150 0.15124 0.02883 65 2PZ -0.19753 0.00084 0.01146 -0.04066 -0.00154 66 3S -0.21580 0.31062 -0.24858 0.06207 -0.33431 67 3PX -0.06520 -0.22147 -0.12684 0.26933 0.25694 68 3PY -0.03254 0.42753 -0.07821 -0.90941 -0.14250 69 3PZ 0.70998 -0.01484 -0.13311 0.16215 -0.05205 70 4XX -0.00972 -0.01234 0.01484 0.03258 -0.00055 71 4YY -0.00112 0.03901 -0.00644 0.01822 0.00517 72 4ZZ -0.02406 -0.00855 0.01127 -0.04477 0.01804 73 4XY 0.00158 0.01422 0.05781 -0.01105 0.06488 74 4XZ 0.01089 -0.03286 0.02163 -0.05817 0.03924 75 4YZ 0.06528 0.02028 0.01703 -0.00414 0.01555 76 6 C 1S -0.00365 -0.00522 -0.00441 0.01244 -0.00369 77 2S -0.17616 -0.08612 0.11671 -0.14774 -0.00298 78 2PX 0.41637 -0.21912 -0.10487 -0.33533 -0.05435 79 2PY 0.22954 0.15284 -0.07241 -0.01573 -0.06696 80 2PZ -0.27855 0.08730 -0.02454 -0.12346 -0.05967 81 3S 0.19713 0.49475 0.00084 -0.06469 0.15999 82 3PX -0.69238 0.69086 0.20483 0.06796 0.08281 83 3PY -0.47353 -0.59508 -0.02703 0.41733 0.08715 84 3PZ 0.77550 -0.49082 0.10592 0.62856 0.13158 85 4XX -0.02387 -0.01242 -0.01283 -0.01377 0.00265 86 4YY -0.00046 0.00933 0.02460 -0.03470 0.00564 87 4ZZ -0.00088 0.00542 -0.00010 0.03136 -0.01209 88 4XY 0.03314 -0.02531 -0.01053 -0.02774 0.00229 89 4XZ 0.03610 0.00902 -0.00063 0.01366 -0.00640 90 4YZ -0.01606 0.00938 0.00111 0.00121 0.00263 91 7 H 1S 0.18825 0.11650 0.15098 0.07362 0.09833 92 2S -0.12497 -0.15316 -0.24622 0.49970 -0.18156 93 8 H 1S 0.18824 0.11650 0.15098 -0.07363 0.09833 94 2S -0.12495 -0.15318 -0.24616 -0.49969 -0.18158 95 9 H 1S -0.07060 0.02064 0.08797 -0.06261 0.03386 96 2S 0.19748 0.22027 -0.03830 0.13035 -0.09557 97 10 H 1S -0.13397 0.00799 -0.02918 -0.24518 -0.17438 98 2S -0.19855 -0.24904 0.11692 -0.14617 0.40889 99 11 H 1S -0.13398 0.00799 -0.02920 0.24519 -0.17437 100 2S -0.19853 -0.24902 0.11691 0.14617 0.40894 101 12 H 1S -0.07061 0.02064 0.08796 0.06261 0.03386 102 2S 0.19750 0.22027 -0.03827 -0.13038 -0.09556 103 13 H 1S -0.04969 -0.00834 0.28243 -0.21553 0.26207 104 2S -0.31913 0.06016 -0.05702 0.23120 -0.26242 105 14 H 1S -0.04968 -0.00833 0.28241 0.21555 0.26208 106 2S -0.31911 0.06017 -0.05700 -0.23117 -0.26240 107 15 C 1S 0.01847 0.04867 -0.04325 0.00000 -0.00670 108 2S 0.14074 0.18596 0.30342 0.00001 0.07977 109 2PX 0.00287 -0.23800 -0.30646 -0.00002 0.52068 110 2PY 0.00000 0.00000 0.00000 -0.03512 -0.00001 111 2PZ -0.03255 -0.29840 -0.13145 -0.00002 0.54444 112 3S -0.29014 -0.54524 -0.33278 -0.00002 -0.08052 113 3PX 0.17799 1.11616 0.90149 0.00006 -0.97949 114 3PY 0.00001 0.00000 0.00000 0.07325 0.00002 115 3PZ -0.18596 0.59066 0.07525 0.00003 -1.15830 116 4XX -0.00499 0.09613 -0.12718 -0.00001 0.12262 117 4YY 0.04204 0.04464 0.11339 0.00000 0.02789 118 4ZZ 0.01957 -0.04288 0.01552 0.00001 -0.14225 119 4XY 0.00000 0.00000 0.00000 -0.00190 0.00000 120 4XZ 0.01849 0.03497 0.02838 0.00000 0.01313 121 4YZ 0.00000 0.00000 0.00000 -0.00207 0.00000 122 16 C 1S 0.00558 -0.01483 0.00122 0.00873 -0.00524 123 2S -0.00659 0.01740 0.27404 -0.08445 0.14403 124 2PX -0.28089 0.13339 -0.14406 -0.02135 -0.03747 125 2PY 0.05701 0.10271 0.08557 -0.32557 -0.01268 126 2PZ -0.11524 0.16834 0.21071 -0.30747 0.05115 127 3S -0.21005 0.44530 -0.11595 0.86623 -0.18025 128 3PX 0.33015 -0.19929 0.32645 -0.36677 0.11955 129 3PY -0.05340 -0.51315 -0.27714 1.44333 0.02913 130 3PZ -0.00355 -0.29686 -0.38687 0.97819 -0.01386 131 4XX 0.00319 -0.00244 -0.01604 -0.01520 0.01447 132 4YY 0.00802 0.02458 0.04109 0.05819 0.01676 133 4ZZ -0.02587 -0.03923 -0.00116 -0.00835 -0.02624 134 4XY -0.01244 0.03733 0.04757 0.00417 0.00165 135 4XZ 0.03422 0.04484 -0.02653 0.01005 -0.01019 136 4YZ -0.04436 -0.01525 -0.05743 -0.00394 -0.01672 137 17 C 1S 0.00559 -0.01482 0.00122 -0.00873 -0.00524 138 2S -0.00653 0.01740 0.27403 0.08447 0.14404 139 2PX -0.28095 0.13339 -0.14406 0.02135 -0.03746 140 2PY -0.05709 -0.10271 -0.08554 -0.32558 0.01267 141 2PZ -0.11523 0.16836 0.21069 0.30748 0.05118 142 3S -0.21044 0.44531 -0.11585 -0.86623 -0.18030 143 3PX 0.33034 -0.19930 0.32641 0.36680 0.11955 144 3PY 0.05365 0.51316 0.27701 1.44338 -0.02906 145 3PZ -0.00370 -0.29689 -0.38679 -0.97819 -0.01395 146 4XX 0.00319 -0.00244 -0.01604 0.01519 0.01448 147 4YY 0.00800 0.02458 0.04109 -0.05819 0.01675 148 4ZZ -0.02586 -0.03922 -0.00116 0.00836 -0.02624 149 4XY 0.01244 -0.03733 -0.04757 0.00416 -0.00165 150 4XZ 0.03422 0.04484 -0.02653 -0.01005 -0.01019 151 4YZ 0.04436 0.01526 0.05743 -0.00394 0.01672 152 18 H 1S 0.17106 0.08969 -0.07332 0.00001 -0.56986 153 2S 0.10709 -0.21399 -0.18034 -0.00004 1.38348 154 19 H 1S -0.17335 -0.27534 -0.17695 -0.01100 -0.05866 155 2S 0.20580 -0.17680 -0.06802 0.86375 0.13319 156 20 H 1S -0.17334 -0.27534 -0.17694 0.01100 -0.05866 157 2S 0.20570 -0.17682 -0.06795 -0.86376 0.13313 158 21 H 1S 0.10133 0.57516 -0.60234 -0.00004 0.47715 159 2S 0.15657 0.46897 1.17430 0.00008 -1.23547 160 22 O 1S -0.00228 0.00475 0.01091 0.00258 0.00368 161 2S 0.03330 0.20387 -0.12862 0.00831 -0.03435 162 2PX -0.11623 -0.16464 0.11472 0.09441 -0.05634 163 2PY -0.05490 -0.07726 -0.16282 -0.01582 -0.03943 164 2PZ 0.04615 0.10411 -0.05934 0.13497 -0.09409 165 3S 0.08743 -0.47799 0.21421 0.13069 0.07251 166 3PX 0.14077 -0.04399 -0.13152 -0.04624 0.14492 167 3PY 0.01058 0.00161 0.14894 -0.08607 0.04982 168 3PZ -0.08620 -0.10594 0.00531 -0.07980 0.17232 169 4XX 0.02037 0.04571 0.02143 0.00029 -0.03054 170 4YY -0.00069 0.05644 -0.09106 0.03292 -0.02237 171 4ZZ 0.01125 0.08585 -0.03372 -0.01159 0.03291 172 4XY 0.01725 0.00915 0.03643 -0.03032 -0.03032 173 4XZ -0.02292 -0.01175 -0.05256 -0.01333 -0.01920 174 4YZ 0.00363 -0.03770 -0.00777 0.00412 -0.03297 175 23 O 1S -0.00228 0.00475 0.01091 -0.00258 0.00368 176 2S 0.03331 0.20387 -0.12863 -0.00832 -0.03436 177 2PX -0.11621 -0.16464 0.11472 -0.09440 -0.05635 178 2PY 0.05490 0.07726 0.16283 -0.01581 0.03943 179 2PZ 0.04617 0.10410 -0.05933 -0.13498 -0.09410 180 3S 0.08730 -0.47799 0.21422 -0.13067 0.07251 181 3PX 0.14072 -0.04399 -0.13153 0.04623 0.14492 182 3PY -0.01061 -0.00161 -0.14893 -0.08608 -0.04983 183 3PZ -0.08618 -0.10594 0.00530 0.07980 0.17233 184 4XX 0.02037 0.04570 0.02143 -0.00029 -0.03055 185 4YY -0.00069 0.05644 -0.09106 -0.03293 -0.02238 186 4ZZ 0.01126 0.08585 -0.03372 0.01158 0.03291 187 4XY -0.01726 -0.00915 -0.03642 -0.03033 0.03032 188 4XZ -0.02292 -0.01175 -0.05257 0.01332 -0.01920 189 4YZ -0.00362 0.03770 0.00777 0.00411 0.03297 91 92 93 94 95 V V V V V Eigenvalues -- 0.82848 0.84209 0.85443 0.86451 0.88061 1 1 C 1S -0.01250 0.00742 0.02295 0.00878 -0.01515 2 2S 0.12979 -0.05233 -0.05661 -0.18449 0.32573 3 2PX 0.04672 0.08933 -0.20729 -0.12058 0.21632 4 2PY -0.15773 0.05234 -0.41082 0.00780 0.21229 5 2PZ 0.15130 -0.08418 0.50876 0.14691 -0.32010 6 3S -0.51840 -0.45091 -1.39793 0.44324 -0.68928 7 3PX -0.14500 -0.06109 1.00470 0.16166 -0.50431 8 3PY 0.33233 -0.38334 1.91092 0.43839 -0.43520 9 3PZ -0.87760 0.24517 -1.78124 -0.55132 0.66206 10 4XX 0.01216 0.01699 0.00079 -0.01959 0.00476 11 4YY -0.01566 -0.02273 -0.07392 -0.00898 0.02090 12 4ZZ -0.00370 -0.00332 0.02506 -0.00450 0.02017 13 4XY -0.00724 -0.01077 0.02290 0.00059 -0.06039 14 4XZ 0.01641 -0.01265 -0.02857 0.00401 0.02716 15 4YZ 0.01604 -0.04151 -0.02386 -0.00126 0.04451 16 2 C 1S 0.01251 0.00742 -0.02295 -0.00878 -0.01515 17 2S -0.12980 -0.05232 0.05661 0.18449 0.32572 18 2PX -0.04672 0.08934 0.20730 0.12061 0.21634 19 2PY -0.15772 -0.05232 -0.41080 0.00778 -0.21228 20 2PZ -0.15130 -0.08418 -0.50877 -0.14695 -0.32012 21 3S 0.51831 -0.45090 1.39795 -0.44326 -0.68918 22 3PX 0.14506 -0.06113 -1.00475 -0.16174 -0.50443 23 3PY 0.33232 0.38335 1.91084 0.43843 0.43518 24 3PZ 0.87756 0.24513 1.78127 0.55142 0.66217 25 4XX -0.01216 0.01699 -0.00079 0.01959 0.00475 26 4YY 0.01566 -0.02273 0.07392 0.00897 0.02090 27 4ZZ 0.00370 -0.00332 -0.02506 0.00450 0.02016 28 4XY -0.00724 0.01077 0.02289 0.00059 0.06039 29 4XZ -0.01641 -0.01265 0.02858 -0.00401 0.02717 30 4YZ 0.01605 0.04150 -0.02385 -0.00126 -0.04451 31 3 C 1S -0.00195 0.00721 -0.00749 -0.00084 0.00290 32 2S 0.10209 0.10685 0.08914 0.16351 0.10404 33 2PX 0.12927 0.06503 0.00978 0.08901 -0.07346 34 2PY 0.17554 -0.05034 -0.00848 0.09097 0.05749 35 2PZ 0.30209 0.03918 0.01405 0.21698 -0.02459 36 3S -1.31977 -0.35519 -0.73757 -0.80272 -0.42192 37 3PX -0.67099 0.13418 -0.15282 0.31717 -0.01993 38 3PY -0.65042 0.02336 -0.58098 -0.31090 -0.33085 39 3PZ -1.45850 -0.65497 -0.10354 -0.98675 -0.13526 40 4XX -0.02344 -0.03787 0.02422 -0.01861 -0.00872 41 4YY 0.02317 0.00518 -0.06659 0.02638 0.01664 42 4ZZ -0.02704 0.05429 0.03688 0.00013 -0.00779 43 4XY 0.02866 0.01256 -0.03634 0.01203 -0.01122 44 4XZ 0.02592 0.01192 0.00299 0.00972 -0.01887 45 4YZ -0.00489 -0.00139 0.02488 0.01344 0.01347 46 4 C 1S 0.00423 -0.02741 0.01106 -0.00278 0.00149 47 2S -0.03660 0.15831 -0.09059 0.01923 -0.21373 48 2PX -0.44426 -0.14798 0.10357 0.52796 -0.14521 49 2PY 0.27028 -0.00852 -0.08191 0.16909 0.08284 50 2PZ 0.19327 -0.03845 -0.05201 0.28770 -0.07709 51 3S 0.28392 0.53412 0.55449 0.23717 0.68719 52 3PX 1.76161 0.16801 -0.19823 -1.46070 0.23087 53 3PY -1.12568 -0.41194 0.23540 -0.90704 -0.27288 54 3PZ -1.14764 0.00286 0.22342 -1.25996 0.15504 55 4XX 0.01210 -0.05665 0.00740 0.00069 -0.03147 56 4YY -0.02299 0.07265 0.00057 -0.01252 -0.01320 57 4ZZ 0.01968 0.00383 0.00271 0.01610 0.02267 58 4XY -0.00128 -0.00796 0.00340 0.01743 -0.00917 59 4XZ -0.03416 -0.05675 -0.02079 -0.05666 -0.00046 60 4YZ 0.00515 0.03144 0.00385 0.00882 -0.02764 61 5 C 1S -0.00423 -0.02741 -0.01106 0.00278 0.00149 62 2S 0.03662 0.15830 0.09057 -0.01924 -0.21373 63 2PX 0.44423 -0.14800 -0.10357 -0.52798 -0.14518 64 2PY 0.27028 0.00848 -0.08191 0.16910 -0.08285 65 2PZ -0.19327 -0.03842 0.05201 -0.28769 -0.07707 66 3S -0.28391 0.53416 -0.55450 -0.23708 0.68717 67 3PX -1.76158 0.16811 0.19823 1.46073 0.23078 68 3PY -1.12567 0.41209 0.23539 -0.90707 0.27293 69 3PZ 1.14763 0.00272 -0.22341 1.25989 0.15499 70 4XX -0.01211 -0.05665 -0.00739 -0.00069 -0.03147 71 4YY 0.02300 0.07265 -0.00057 0.01252 -0.01320 72 4ZZ -0.01968 0.00384 -0.00271 -0.01609 0.02267 73 4XY -0.00128 0.00796 0.00340 0.01743 0.00917 74 4XZ 0.03416 -0.05676 0.02079 0.05666 -0.00046 75 4YZ 0.00515 -0.03144 0.00385 0.00882 0.02764 76 6 C 1S 0.00195 0.00721 0.00749 0.00084 0.00290 77 2S -0.10208 0.10685 -0.08916 -0.16351 0.10404 78 2PX -0.12929 0.06503 -0.00978 -0.08901 -0.07346 79 2PY 0.17558 0.05031 -0.00849 0.09095 -0.05748 80 2PZ -0.30208 0.03922 -0.01405 -0.21697 -0.02457 81 3S 1.31978 -0.35531 0.73760 0.80266 -0.42186 82 3PX 0.67111 0.13415 0.15283 -0.31715 -0.01988 83 3PY -0.65059 -0.02326 -0.58095 -0.31082 0.33077 84 3PZ 1.45841 -0.65515 0.10355 0.98671 -0.13531 85 4XX 0.02344 -0.03787 -0.02421 0.01861 -0.00872 86 4YY -0.02317 0.00519 0.06659 -0.02638 0.01664 87 4ZZ 0.02704 0.05429 -0.03688 -0.00013 -0.00779 88 4XY 0.02866 -0.01257 -0.03635 0.01203 0.01121 89 4XZ -0.02592 0.01193 -0.00299 -0.00972 -0.01887 90 4YZ -0.00489 0.00139 0.02489 0.01343 -0.01347 91 7 H 1S -0.02196 0.18733 0.33066 0.12658 -0.30986 92 2S -0.21002 0.14441 -1.68733 -0.55022 1.02926 93 8 H 1S 0.02200 0.18732 -0.33067 -0.12659 -0.30987 94 2S 0.20995 0.14443 1.68733 0.55031 1.02932 95 9 H 1S 0.12857 -0.00657 -0.09359 0.03791 0.09073 96 2S -0.41166 0.07215 0.04028 -0.16120 -0.21939 97 10 H 1S 0.04820 -0.26715 0.07575 0.13737 -0.10344 98 2S 0.75552 -0.00818 -0.29967 -0.95999 0.01287 99 11 H 1S -0.04822 -0.26714 -0.07575 -0.13740 -0.10342 100 2S -0.75550 -0.00814 0.29968 0.96000 0.01280 101 12 H 1S -0.12858 -0.00654 0.09359 -0.03789 0.09072 102 2S 0.41174 0.07207 -0.04030 0.16113 -0.21935 103 13 H 1S -0.04177 -0.34997 0.07774 0.18906 0.05135 104 2S 0.37839 0.12326 -0.04873 -1.11147 -0.41010 105 14 H 1S 0.04176 -0.34996 -0.07772 -0.18906 0.05136 106 2S -0.37839 0.12324 0.04871 1.11144 -0.41018 107 15 C 1S 0.00000 -0.03048 0.00000 0.00000 0.01446 108 2S -0.00002 -0.59695 0.00002 -0.00001 -0.09419 109 2PX 0.00000 -0.17559 0.00000 -0.00001 0.01055 110 2PY -0.01728 0.00000 0.01735 0.05021 0.00000 111 2PZ 0.00000 -0.18828 0.00001 -0.00001 -0.08007 112 3S 0.00006 1.37942 -0.00005 0.00002 0.36035 113 3PX 0.00002 0.66894 -0.00001 0.00003 0.14488 114 3PY 0.02807 -0.00001 -0.07675 -0.08532 0.00001 115 3PZ -0.00001 0.38149 0.00000 0.00002 -0.06904 116 4XX 0.00001 0.03390 0.00000 0.00000 0.00606 117 4YY 0.00000 -0.03076 0.00000 0.00000 0.02719 118 4ZZ -0.00001 -0.08754 0.00000 0.00000 -0.00009 119 4XY -0.00196 0.00000 0.00514 0.02283 0.00000 120 4XZ 0.00000 -0.00032 0.00000 0.00000 0.04133 121 4YZ -0.01320 0.00000 0.00650 -0.01569 0.00000 122 16 C 1S 0.00555 0.01307 -0.00609 0.01816 -0.01109 123 2S -0.01064 -0.08958 0.07044 -0.16385 0.50858 124 2PX 0.16014 -0.04950 0.02519 -0.00042 0.05715 125 2PY -0.21290 0.00307 -0.25662 0.16923 -0.25830 126 2PZ 0.22361 0.06588 -0.29156 0.28232 -0.26200 127 3S 0.49649 0.22644 0.51326 -0.15097 -1.11452 128 3PX -0.46912 0.01253 -0.26975 0.03932 -0.20852 129 3PY 0.67147 -0.03855 1.14483 -0.74900 0.63921 130 3PZ -0.70246 -0.10989 1.05207 -0.96417 0.66005 131 4XX 0.00820 0.04417 0.01360 -0.03291 0.03617 132 4YY 0.03560 -0.02124 0.04282 -0.02817 0.02241 133 4ZZ -0.02530 0.01329 -0.01394 0.03296 0.01204 134 4XY -0.00251 0.00436 0.00559 -0.00749 0.06116 135 4XZ 0.00361 -0.06526 0.00795 -0.00123 0.00481 136 4YZ -0.01167 0.03943 -0.01749 0.02244 -0.06389 137 17 C 1S -0.00555 0.01307 0.00609 -0.01816 -0.01109 138 2S 0.01065 -0.08959 -0.07045 0.16385 0.50857 139 2PX -0.16014 -0.04948 -0.02518 0.00042 0.05715 140 2PY -0.21289 -0.00308 -0.25663 0.16923 0.25830 141 2PZ -0.22361 0.06593 0.29155 -0.28230 -0.26199 142 3S -0.49647 0.22644 -0.51322 0.15100 -1.11457 143 3PX 0.46913 0.01251 0.26974 -0.03933 -0.20852 144 3PY 0.67148 0.03861 1.14488 -0.74902 -0.63919 145 3PZ 0.70247 -0.11006 -1.05204 0.96413 0.66001 146 4XX -0.00820 0.04417 -0.01360 0.03291 0.03617 147 4YY -0.03560 -0.02124 -0.04282 0.02817 0.02240 148 4ZZ 0.02529 0.01328 0.01394 -0.03295 0.01204 149 4XY -0.00251 -0.00436 0.00559 -0.00749 -0.06116 150 4XZ -0.00362 -0.06526 -0.00795 0.00122 0.00481 151 4YZ -0.01167 -0.03943 -0.01749 0.02244 0.06389 152 18 H 1S -0.00003 -0.26627 0.00000 0.00000 0.15205 153 2S 0.00002 -0.39479 0.00001 -0.00002 -0.15732 154 19 H 1S -0.08092 0.10605 -0.17416 0.29649 -0.25859 155 2S -0.10137 -0.29739 1.03423 -1.01016 1.13576 156 20 H 1S 0.08091 0.10606 0.17416 -0.29648 -0.25858 157 2S 0.10135 -0.29751 -1.03425 1.01013 1.13574 158 21 H 1S 0.00002 0.03553 -0.00001 0.00000 0.07708 159 2S -0.00003 -0.04193 0.00002 0.00002 -0.07095 160 22 O 1S 0.00236 0.00789 -0.00258 0.00554 0.01245 161 2S -0.06279 -0.25675 -0.07324 0.04121 0.02688 162 2PX -0.06072 0.11469 -0.02358 0.03453 0.04238 163 2PY -0.04015 -0.16491 -0.01470 -0.06045 -0.12134 164 2PZ -0.06625 -0.17190 -0.01513 0.05708 0.02555 165 3S 0.00309 0.07243 0.34708 -0.21156 -0.26344 166 3PX -0.04193 -0.21807 0.09161 -0.12900 -0.10918 167 3PY 0.00233 0.33380 -0.07971 0.14764 0.35078 168 3PZ -0.01077 0.08126 0.06613 -0.10990 -0.06770 169 4XX -0.02113 -0.09697 -0.02555 -0.00553 0.02675 170 4YY -0.00191 -0.08517 -0.00192 0.01518 -0.03006 171 4ZZ -0.02919 -0.06049 -0.03116 0.02672 0.02920 172 4XY -0.00180 -0.04625 -0.02085 0.02517 0.00423 173 4XZ 0.01734 0.02516 0.00442 -0.02154 -0.01473 174 4YZ 0.00595 0.01658 0.00430 0.00000 -0.01254 175 23 O 1S -0.00236 0.00789 0.00258 -0.00554 0.01245 176 2S 0.06276 -0.25675 0.07325 -0.04123 0.02688 177 2PX 0.06073 0.11469 0.02358 -0.03453 0.04237 178 2PY -0.04013 0.16492 -0.01472 -0.06044 0.12134 179 2PZ 0.06623 -0.17190 0.01513 -0.05709 0.02555 180 3S -0.00310 0.07240 -0.34709 0.21156 -0.26344 181 3PX 0.04191 -0.21808 -0.09161 0.12899 -0.10918 182 3PY 0.00228 -0.33381 -0.07967 0.14762 -0.35079 183 3PZ 0.01078 0.08124 -0.06614 0.10991 -0.06770 184 4XX 0.02112 -0.09697 0.02556 0.00553 0.02675 185 4YY 0.00190 -0.08517 0.00193 -0.01518 -0.03006 186 4ZZ 0.02919 -0.06049 0.03117 -0.02672 0.02920 187 4XY -0.00180 0.04625 -0.02085 0.02517 -0.00423 188 4XZ -0.01734 0.02516 -0.00442 0.02154 -0.01474 189 4YZ 0.00595 -0.01658 0.00430 0.00000 0.01254 96 97 98 99 100 V V V V V Eigenvalues -- 0.88445 0.88520 0.88709 0.89805 0.91384 1 1 C 1S -0.01244 0.00114 0.00703 -0.00839 -0.00500 2 2S -0.10068 -0.10264 -0.11903 0.22262 -0.10233 3 2PX 0.22004 0.18634 -0.33451 0.08960 -0.06203 4 2PY 0.10663 -0.10905 0.16589 0.19099 -0.06345 5 2PZ -0.25711 -0.20296 0.27863 -0.25478 -0.00499 6 3S 0.10737 1.06335 0.04490 -0.90069 0.46115 7 3PX -0.58297 -1.30090 1.38445 -0.31180 -0.05058 8 3PY -0.28042 0.61938 -1.08463 -0.73562 0.14652 9 3PZ 0.63635 1.23309 -1.13761 0.67327 0.08977 10 4XX -0.00078 0.02076 -0.02333 0.04776 0.01915 11 4YY -0.02572 -0.02139 0.01025 -0.00916 -0.01482 12 4ZZ 0.02255 0.02083 -0.01909 -0.00777 -0.02186 13 4XY -0.03473 0.00794 0.03024 -0.00219 0.02178 14 4XZ 0.02788 -0.03831 0.00106 0.00087 -0.00504 15 4YZ 0.03854 -0.00376 -0.02880 -0.00363 0.01497 16 2 C 1S -0.01244 -0.00117 -0.00703 -0.00839 -0.00500 17 2S -0.10093 0.10241 0.11903 0.22261 -0.10232 18 2PX 0.22047 -0.18585 0.33447 0.08960 -0.06203 19 2PY -0.10636 -0.10930 0.16593 -0.19098 0.06343 20 2PZ -0.25757 0.20238 -0.27860 -0.25479 -0.00500 21 3S 0.10982 -1.06310 -0.04486 -0.90067 0.46112 22 3PX -0.58597 1.29958 -1.38436 -0.31179 -0.05057 23 3PY 0.27889 0.62005 -1.08475 0.73559 -0.14641 24 3PZ 0.63916 -1.23164 1.13750 0.67327 0.08977 25 4XX -0.00073 -0.02076 0.02333 0.04776 0.01915 26 4YY -0.02577 0.02133 -0.01025 -0.00917 -0.01482 27 4ZZ 0.02259 -0.02077 0.01908 -0.00777 -0.02186 28 4XY 0.03471 0.00802 0.03023 0.00219 -0.02178 29 4XZ 0.02780 0.03838 -0.00106 0.00087 -0.00504 30 4YZ -0.03853 -0.00384 -0.02880 0.00363 -0.01497 31 3 C 1S 0.00208 -0.02136 -0.02359 0.01638 0.00615 32 2S -0.17452 0.37333 0.21028 -0.23055 -0.11136 33 2PX 0.05524 -0.12757 0.11762 0.05370 -0.02000 34 2PY 0.20937 -0.61742 -0.14192 0.23594 0.26372 35 2PZ -0.04375 0.11993 -0.21384 0.06382 -0.02674 36 3S -0.05944 0.00919 -1.22496 0.36629 0.31487 37 3PX -0.18028 0.88101 -0.94905 0.23005 -0.03608 38 3PY -0.71403 1.86222 0.13567 -0.79199 -0.44667 39 3PZ 0.05998 -0.93725 1.13575 -0.41124 0.33564 40 4XX -0.02052 0.06444 0.01694 -0.05982 -0.03334 41 4YY 0.00918 -0.07703 -0.04749 0.01930 0.04421 42 4ZZ -0.02916 0.06041 0.02155 0.01071 -0.02959 43 4XY -0.00817 0.03103 -0.04841 0.01336 -0.00578 44 4XZ 0.02296 -0.02796 0.00814 0.03226 0.00731 45 4YZ 0.03289 -0.05416 0.02208 -0.00046 0.01768 46 4 C 1S -0.00449 -0.00103 -0.00613 -0.00794 0.01276 47 2S -0.25352 0.10998 0.07374 0.11589 0.04840 48 2PX -0.16315 -0.01742 -0.31230 0.45785 0.26029 49 2PY 0.05497 0.04198 -0.17695 0.02625 0.05497 50 2PZ -0.21182 0.24015 -0.06657 0.10715 -0.08721 51 3S 0.66158 -0.52226 -0.30462 0.28222 -0.28338 52 3PX 0.12380 0.05560 0.62338 -0.85885 -0.44142 53 3PY -0.09458 -0.60830 0.91193 -0.16130 0.14818 54 3PZ 0.23966 -0.89422 0.51366 -0.35135 0.06854 55 4XX -0.02814 0.01877 -0.02324 0.00424 0.02409 56 4YY -0.04043 0.00669 0.01680 0.03688 -0.02470 57 4ZZ 0.01962 -0.02093 0.00676 -0.01728 0.01587 58 4XY -0.06968 -0.01151 -0.01403 0.01030 0.01559 59 4XZ 0.01366 0.01008 0.03610 -0.07606 -0.01084 60 4YZ -0.05896 0.04874 0.00001 -0.00324 -0.02984 61 5 C 1S -0.00450 0.00103 0.00613 -0.00794 0.01276 62 2S -0.25329 -0.11056 -0.07372 0.11589 0.04838 63 2PX -0.16311 0.01704 0.31232 0.45787 0.26029 64 2PY -0.05508 0.04186 -0.17694 -0.02625 -0.05497 65 2PZ -0.21127 -0.24063 0.06658 0.10714 -0.08722 66 3S 0.66045 0.52374 0.30452 0.28223 -0.28334 67 3PX 0.12372 -0.05530 -0.62341 -0.85891 -0.44141 68 3PY 0.09604 -0.60812 0.91192 0.16132 -0.14821 69 3PZ 0.23762 0.89476 -0.51364 -0.35128 0.06855 70 4XX -0.02809 -0.01883 0.02325 0.00424 0.02409 71 4YY -0.04042 -0.00679 -0.01680 0.03688 -0.02471 72 4ZZ 0.01958 0.02098 -0.00676 -0.01727 0.01586 73 4XY 0.06970 -0.01135 -0.01403 -0.01030 -0.01559 74 4XZ 0.01368 -0.01004 -0.03610 -0.07606 -0.01085 75 4YZ 0.05884 0.04887 0.00001 0.00324 0.02984 76 6 C 1S 0.00204 0.02137 0.02359 0.01639 0.00615 77 2S -0.17369 -0.37371 -0.21026 -0.23056 -0.11134 78 2PX 0.05495 0.12769 -0.11761 0.05370 -0.01998 79 2PY -0.20800 -0.61788 -0.14190 -0.23595 -0.26370 80 2PZ -0.04346 -0.12006 0.21384 0.06381 -0.02675 81 3S -0.05932 -0.00933 1.22495 0.36632 0.31480 82 3PX -0.17821 -0.88143 0.94902 0.23006 -0.03615 83 3PY 0.70986 1.86374 0.13563 0.79202 0.44663 84 3PZ 0.05779 0.93747 -1.13573 -0.41120 0.33570 85 4XX -0.02037 -0.06449 -0.01694 -0.05982 -0.03334 86 4YY 0.00902 0.07705 0.04749 0.01931 0.04421 87 4ZZ -0.02902 -0.06048 -0.02155 0.01071 -0.02959 88 4XY 0.00809 0.03104 -0.04841 -0.01336 0.00577 89 4XZ 0.02290 0.02801 -0.00814 0.03226 0.00731 90 4YZ -0.03276 -0.05423 0.02208 0.00045 -0.01768 91 7 H 1S -0.17024 -0.02110 0.15788 0.01095 0.02045 92 2S 0.72349 0.47353 -0.73590 0.78943 -0.07400 93 8 H 1S -0.17028 0.02071 -0.15786 0.01096 0.02043 94 2S 0.72454 -0.47191 0.73579 0.78941 -0.07395 95 9 H 1S 0.13083 -0.39994 -0.18813 0.23006 0.27828 96 2S -0.58011 1.60503 0.50141 -0.77191 -0.58668 97 10 H 1S -0.21855 0.04594 -0.24288 0.08352 0.20417 98 2S 0.08709 0.21268 0.70975 -0.71832 -0.26877 99 11 H 1S -0.21841 -0.04642 0.24291 0.08351 0.20419 100 2S 0.08740 -0.21249 -0.70976 -0.71835 -0.26879 101 12 H 1S 0.12995 0.40023 0.18811 0.23008 0.27826 102 2S -0.57656 -1.60631 -0.50133 -0.77195 -0.58664 103 13 H 1S 0.31804 0.01613 -0.13445 -0.28658 0.11501 104 2S -0.63472 -0.36992 0.35649 0.78219 0.15349 105 14 H 1S 0.31810 -0.01539 0.13443 -0.28658 0.11500 106 2S -0.63564 0.36846 -0.35641 0.78219 0.15350 107 15 C 1S -0.00138 0.00000 0.00000 -0.01681 0.00576 108 2S 0.11496 0.00013 0.00000 0.34472 -0.95897 109 2PX -0.15843 -0.00017 0.00001 0.02476 0.45044 110 2PY -0.00002 0.01364 -0.05816 0.00000 0.00000 111 2PZ -0.09568 -0.00011 0.00001 0.31335 -0.24993 112 3S -0.37851 -0.00041 0.00002 -0.90266 2.60471 113 3PX 0.29810 0.00033 -0.00003 -0.21103 -0.67201 114 3PY 0.00000 0.00331 0.18116 0.00000 0.00000 115 3PZ 0.50244 0.00055 -0.00003 -0.63964 0.15520 116 4XX 0.00016 0.00000 0.00000 0.01002 -0.01699 117 4YY -0.02867 -0.00003 0.00000 0.05323 -0.06141 118 4ZZ 0.02659 0.00003 0.00000 -0.06109 0.01454 119 4XY 0.00000 -0.00196 -0.01273 0.00000 0.00000 120 4XZ -0.04074 -0.00004 0.00000 -0.00319 0.00554 121 4YZ 0.00002 -0.01887 -0.01640 0.00000 0.00000 122 16 C 1S 0.00220 0.00503 0.00752 0.00499 0.00011 123 2S -0.38672 0.08225 -0.25011 -0.04354 -0.02163 124 2PX 0.07935 0.03184 0.00781 -0.06986 -0.09932 125 2PY 0.17668 -0.06614 0.09108 0.09670 0.06931 126 2PZ 0.28409 0.02322 0.37520 -0.00124 0.07426 127 3S 0.95274 -0.40370 0.66173 0.07876 0.08786 128 3PX -0.03020 -0.06375 0.00007 0.17647 0.23630 129 3PY -0.45497 -0.18230 -0.25425 -0.22474 -0.08138 130 3PZ -0.50631 -0.12400 -1.04751 -0.11519 -0.15148 131 4XX -0.02981 0.00454 -0.03130 -0.00711 -0.01457 132 4YY -0.01576 0.00209 -0.01786 0.01744 0.00753 133 4ZZ -0.01388 -0.00099 0.01030 -0.02250 0.00086 134 4XY -0.04681 0.00604 -0.00208 -0.00814 -0.01544 135 4XZ -0.02048 0.00500 -0.01021 0.02421 -0.03472 136 4YZ 0.06435 0.00498 0.02105 -0.02716 -0.00868 137 17 C 1S 0.00221 -0.00502 -0.00752 0.00499 0.00011 138 2S -0.38652 -0.08309 0.25013 -0.04353 -0.02165 139 2PX 0.07942 -0.03167 -0.00783 -0.06986 -0.09931 140 2PY -0.17654 -0.06653 0.09109 -0.09671 -0.06930 141 2PZ 0.28410 -0.02259 -0.37521 -0.00126 0.07427 142 3S 0.95173 0.40579 -0.66178 0.07874 0.08790 143 3PX -0.03034 0.06368 -0.00005 0.17646 0.23629 144 3PY 0.45541 -0.18130 -0.25430 0.22476 0.08137 145 3PZ -0.50646 0.12288 1.04752 -0.11511 -0.15150 146 4XX -0.02980 -0.00460 0.03130 -0.00711 -0.01457 147 4YY -0.01575 -0.00212 0.01786 0.01744 0.00753 148 4ZZ -0.01388 0.00096 -0.01030 -0.02250 0.00086 149 4XY 0.04679 0.00614 -0.00208 0.00814 0.01544 150 4XZ -0.02047 -0.00505 0.01021 0.02421 -0.03472 151 4YZ -0.06436 0.00484 0.02106 0.02716 0.00868 152 18 H 1S -0.00481 0.00000 0.00000 -0.39984 0.39544 153 2S -0.32199 -0.00035 0.00002 1.09926 -0.93557 154 19 H 1S 0.24872 -0.00849 0.27859 -0.07550 -0.00263 155 2S -0.92108 -0.04425 -0.95921 -0.06852 -0.14590 156 20 H 1S 0.24869 0.00904 -0.27860 -0.07548 -0.00263 157 2S -0.92111 0.04223 0.95925 -0.06850 -0.14591 158 21 H 1S -0.05160 -0.00005 0.00000 -0.12125 0.34702 159 2S 0.41054 0.00044 -0.00003 0.03860 -1.26446 160 22 O 1S -0.00684 0.00093 0.00073 -0.00209 -0.00073 161 2S 0.00174 -0.05289 0.03023 0.01561 -0.14977 162 2PX -0.03424 0.01026 0.04325 -0.03435 -0.00862 163 2PY 0.08604 -0.05050 -0.00102 0.07891 -0.21774 164 2PZ -0.00088 0.01234 0.07996 0.00869 0.02334 165 3S 0.09098 0.03888 -0.20299 0.10001 0.12754 166 3PX -0.00549 -0.02934 -0.07816 0.10967 0.15104 167 3PY -0.23175 0.08925 0.01142 -0.19056 0.31805 168 3PZ 0.02340 -0.02398 -0.18135 0.02399 -0.09453 169 4XX -0.01635 -0.00977 0.01005 0.01982 -0.04625 170 4YY 0.04400 -0.01013 -0.00336 -0.01387 -0.03790 171 4ZZ -0.02344 -0.02938 0.01244 0.02531 -0.07804 172 4XY -0.00024 0.00688 0.01239 0.01129 -0.02718 173 4XZ 0.01925 0.00931 -0.00564 -0.01335 0.01234 174 4YZ 0.01462 0.00508 -0.00059 -0.02859 0.02710 175 23 O 1S -0.00684 -0.00095 -0.00073 -0.00209 -0.00073 176 2S 0.00162 0.05290 -0.03023 0.01562 -0.14977 177 2PX -0.03422 -0.01034 -0.04325 -0.03435 -0.00863 178 2PY -0.08592 -0.05068 -0.00102 -0.07891 0.21775 179 2PZ -0.00086 -0.01235 -0.07996 0.00870 0.02335 180 3S 0.09109 -0.03869 0.20300 0.10001 0.12755 181 3PX -0.00555 0.02933 0.07818 0.10968 0.15104 182 3PY 0.23154 0.08974 0.01141 0.19057 -0.31805 183 3PZ 0.02337 0.02404 0.18135 0.02398 -0.09453 184 4XX -0.01638 0.00973 -0.01005 0.01982 -0.04625 185 4YY 0.04398 0.01023 0.00336 -0.01387 -0.03790 186 4ZZ -0.02351 0.02933 -0.01243 0.02532 -0.07804 187 4XY 0.00022 0.00688 0.01239 -0.01129 0.02718 188 4XZ 0.01927 -0.00927 0.00564 -0.01336 0.01234 189 4YZ -0.01463 0.00505 -0.00059 0.02859 -0.02710 101 102 103 104 105 V V V V V Eigenvalues -- 0.93717 0.94030 0.95123 1.00794 1.01439 1 1 C 1S -0.00092 0.00626 0.00337 0.01326 -0.01532 2 2S 0.33664 -0.25518 -0.25438 0.46599 -0.49465 3 2PX 0.00594 -0.10587 0.04304 0.12729 0.10289 4 2PY 0.06961 -0.08040 -0.27272 -0.27569 -0.19440 5 2PZ -0.04199 0.18667 -0.06745 -0.14919 0.07551 6 3S -1.22602 0.00956 0.85439 -1.85084 1.67187 7 3PX 0.12632 0.23183 -0.91474 -1.13492 -0.08704 8 3PY -0.47006 -0.26426 2.07308 2.34350 0.98611 9 3PZ -0.06041 -0.30536 0.84476 1.23819 -0.24917 10 4XX 0.00621 -0.01927 0.00077 0.02106 -0.01981 11 4YY 0.01671 -0.04810 -0.03744 -0.02621 -0.02325 12 4ZZ 0.02343 0.03336 0.01379 0.06150 -0.02411 13 4XY 0.01126 0.02313 -0.01310 0.00547 0.00857 14 4XZ 0.00246 -0.03609 -0.03192 -0.06790 0.02813 15 4YZ -0.00739 -0.08450 0.01239 -0.03104 0.05312 16 2 C 1S 0.00093 0.00626 -0.00336 -0.01326 -0.01532 17 2S -0.33672 -0.25510 0.25435 -0.46599 -0.49469 18 2PX -0.00598 -0.10586 -0.04304 -0.12729 0.10289 19 2PY 0.06964 0.08041 -0.27272 -0.27570 0.19441 20 2PZ 0.04206 0.18665 0.06746 0.14919 0.07551 21 3S 1.22599 0.00922 -0.85440 1.85084 1.67204 22 3PX -0.12622 0.23176 0.91473 1.13489 -0.08714 23 3PY -0.46994 0.26415 2.07318 2.34354 -0.98629 24 3PZ 0.06029 -0.30528 -0.84474 -1.23816 -0.24905 25 4XX -0.00622 -0.01927 -0.00077 -0.02107 -0.01981 26 4YY -0.01673 -0.04810 0.03743 0.02622 -0.02325 27 4ZZ -0.02342 0.03337 -0.01378 -0.06150 -0.02412 28 4XY 0.01125 -0.02313 -0.01310 0.00547 -0.00857 29 4XZ -0.00247 -0.03609 0.03191 0.06790 0.02813 30 4YZ -0.00736 0.08450 0.01241 -0.03103 -0.05312 31 3 C 1S -0.00661 -0.00251 0.01119 -0.00773 0.00070 32 2S -0.19131 -0.44870 -0.08960 -0.43185 -0.03852 33 2PX 0.19692 -0.04232 -0.30447 0.04062 0.10234 34 2PY 0.04378 0.38614 0.15202 0.08626 0.05169 35 2PZ -0.10037 0.01494 0.18349 0.09759 -0.04426 36 3S 0.44974 1.17918 1.33070 2.11484 -0.29412 37 3PX -0.90235 0.28360 1.62819 0.83004 -0.60151 38 3PY -0.21426 -0.81390 -0.13508 -0.22254 0.44523 39 3PZ 0.83589 -0.55089 -1.55416 -0.50002 0.59731 40 4XX -0.03644 -0.04931 -0.00152 0.04644 -0.04193 41 4YY -0.04185 0.00234 0.02673 -0.08329 0.09369 42 4ZZ 0.04564 -0.02310 -0.00242 0.00308 -0.06587 43 4XY 0.00981 0.02777 -0.01679 -0.05919 -0.03021 44 4XZ 0.02715 0.01993 -0.07266 -0.00968 -0.02951 45 4YZ 0.01717 -0.00139 -0.01103 -0.04281 0.04315 46 4 C 1S -0.02677 -0.02131 -0.01205 -0.00231 0.00030 47 2S 0.57958 -0.17176 0.32981 -0.23143 0.47119 48 2PX 0.06467 -0.12031 -0.18185 0.07883 -0.05697 49 2PY -0.27480 0.03071 0.00172 0.01397 -0.05787 50 2PZ 0.22342 -0.13517 0.13707 -0.09018 0.24343 51 3S -1.42000 0.73782 -0.29159 0.85135 -1.37757 52 3PX -0.13419 0.30734 0.09418 -0.66663 0.11435 53 3PY 1.15280 -0.16463 -0.81281 0.22172 0.14974 54 3PZ 0.07766 0.05215 -0.71973 0.15268 -0.08836 55 4XX -0.00363 -0.03287 -0.06416 -0.02521 -0.07384 56 4YY 0.04816 0.00037 0.01245 -0.00869 0.07125 57 4ZZ 0.00396 -0.01709 0.09214 0.00720 0.07067 58 4XY 0.00637 -0.05403 -0.03011 -0.02348 0.03543 59 4XZ -0.06432 0.00478 0.02226 0.07107 -0.00550 60 4YZ 0.01593 0.01512 0.00660 -0.00040 -0.03391 61 5 C 1S 0.02676 -0.02132 0.01204 0.00231 0.00030 62 2S -0.57966 -0.17149 -0.32982 0.23148 0.47117 63 2PX -0.06472 -0.12030 0.18183 -0.07883 -0.05697 64 2PY -0.27480 -0.03059 0.00173 0.01398 0.05785 65 2PZ -0.22349 -0.13506 -0.13708 0.09021 0.24343 66 3S 1.42031 0.73724 0.29168 -0.85151 -1.37749 67 3PX 0.13432 0.30728 -0.09413 0.66664 0.11429 68 3PY 1.15286 0.16428 -0.81281 0.22168 -0.14966 69 3PZ -0.07761 0.05210 0.71970 -0.15271 -0.08840 70 4XX 0.00363 -0.03288 0.06415 0.02520 -0.07384 71 4YY -0.04816 0.00039 -0.01244 0.00870 0.07124 72 4ZZ -0.00397 -0.01708 -0.09214 -0.00719 0.07068 73 4XY 0.00639 0.05404 -0.03010 -0.02347 -0.03543 74 4XZ 0.06432 0.00476 -0.02227 -0.07107 -0.00549 75 4YZ 0.01592 -0.01512 0.00660 -0.00040 0.03392 76 6 C 1S 0.00661 -0.00251 -0.01119 0.00773 0.00070 77 2S 0.19114 -0.44880 0.08954 0.43184 -0.03856 78 2PX -0.19693 -0.04228 0.30447 -0.04063 0.10232 79 2PY 0.04363 -0.38619 0.15198 0.08626 -0.05171 80 2PZ 0.10038 0.01492 -0.18348 -0.09759 -0.04426 81 3S -0.44930 1.17956 -1.33054 -2.11478 -0.29385 82 3PX 0.90246 0.28347 -1.62812 -0.83002 -0.60133 83 3PY -0.21389 0.81404 -0.13506 -0.22259 -0.44524 84 3PZ -0.83613 -0.55075 1.55408 0.50006 0.59717 85 4XX 0.03643 -0.04932 0.00152 -0.04644 -0.04192 86 4YY 0.04185 0.00233 -0.02673 0.08329 0.09369 87 4ZZ -0.04565 -0.02309 0.00241 -0.00308 -0.06587 88 4XY 0.00980 -0.02777 -0.01679 -0.05919 0.03021 89 4XZ -0.02715 0.01993 0.07266 0.00967 -0.02951 90 4YZ 0.01717 0.00138 -0.01102 -0.04281 -0.04314 91 7 H 1S -0.03552 0.32957 0.13425 0.22527 -0.25394 92 2S 0.32554 -0.57753 -0.29785 0.22917 -0.46414 93 8 H 1S 0.03565 0.32957 -0.13420 -0.22528 -0.25392 94 2S -0.32575 -0.57746 0.29777 -0.22919 -0.46415 95 9 H 1S -0.02893 0.19359 0.14244 -0.13035 0.39270 96 2S -0.14808 -0.96781 -0.38202 -0.15617 -0.14085 97 10 H 1S -0.22148 -0.23252 -0.43760 -0.12800 -0.24129 98 2S 0.50191 0.26405 0.59471 -0.23964 0.60134 99 11 H 1S 0.22140 -0.23266 0.43754 0.12797 -0.24130 100 2S -0.50180 0.26431 -0.59466 0.23974 0.60130 101 12 H 1S 0.02898 0.19361 -0.14242 0.13035 0.39269 102 2S 0.14771 -0.96795 0.38189 0.15617 -0.14089 103 13 H 1S 0.50822 -0.05347 0.05906 -0.23801 -0.19767 104 2S -1.05460 -0.35835 -0.10170 0.24336 0.44749 105 14 H 1S -0.50824 -0.05326 -0.05909 0.23800 -0.19769 106 2S 1.05445 -0.35878 0.10168 -0.24331 0.44752 107 15 C 1S 0.00000 0.00221 0.00000 0.00000 0.03072 108 2S -0.00002 -0.06393 0.00003 0.00000 0.54768 109 2PX -0.00003 -0.13796 -0.00002 0.00001 -0.00676 110 2PY 0.01829 0.00000 -0.11487 0.01187 -0.00001 111 2PZ 0.00000 0.00190 0.00001 -0.00001 -0.00335 112 3S 0.00001 -0.07012 -0.00010 0.00001 -1.11960 113 3PX -0.00002 -0.08407 0.00000 -0.00003 -0.03246 114 3PY -0.12191 0.00000 0.44939 0.05068 0.00002 115 3PZ 0.00007 0.31973 0.00001 0.00001 -0.07548 116 4XX 0.00000 -0.01127 0.00000 0.00000 -0.00449 117 4YY -0.00001 -0.05703 0.00000 0.00000 0.05960 118 4ZZ 0.00001 0.04844 0.00000 0.00000 0.04982 119 4XY -0.04028 0.00001 -0.04890 -0.01246 0.00000 120 4XZ 0.00000 -0.02224 0.00000 0.00000 0.00601 121 4YZ -0.02861 0.00001 -0.01800 -0.01850 0.00000 122 16 C 1S 0.00270 -0.01083 -0.00758 -0.01582 0.00961 123 2S -0.10732 0.13797 0.13128 -0.81394 0.22045 124 2PX 0.06106 0.16645 -0.02461 -0.07807 0.09891 125 2PY -0.19496 -0.15636 0.10331 -0.03332 0.02822 126 2PZ 0.04506 -0.26764 -0.05778 0.15581 -0.01260 127 3S 0.21004 -0.52815 -0.06277 2.52058 -0.44952 128 3PX 0.08630 -0.23855 -0.23129 0.17165 -0.29553 129 3PY 0.48082 0.37840 -0.16685 0.52506 0.13352 130 3PZ -0.86817 0.52110 0.70165 -0.65607 0.06562 131 4XX 0.00887 0.02848 0.01588 -0.03441 -0.02805 132 4YY 0.01795 0.00034 -0.00432 -0.01009 0.03105 133 4ZZ -0.04429 -0.01218 0.01945 -0.05309 0.02127 134 4XY 0.00086 -0.05106 -0.00013 0.00127 0.05778 135 4XZ 0.05261 0.01033 -0.03495 0.04569 0.03847 136 4YZ -0.02784 -0.04386 0.02376 -0.00558 0.03678 137 17 C 1S -0.00270 -0.01083 0.00758 0.01582 0.00961 138 2S 0.10737 0.13796 -0.13127 0.81395 0.22042 139 2PX -0.06100 0.16647 0.02464 0.07807 0.09893 140 2PY -0.19489 0.15642 0.10332 -0.03332 -0.02824 141 2PZ -0.04517 -0.26764 0.05775 -0.15581 -0.01260 142 3S -0.21025 -0.52816 0.06272 -2.52058 -0.44951 143 3PX -0.08639 -0.23855 0.23126 -0.17166 -0.29557 144 3PY 0.48064 -0.37853 -0.16686 0.52504 -0.13343 145 3PZ 0.86839 0.52087 -0.70159 0.65607 0.06564 146 4XX -0.00885 0.02849 -0.01588 0.03441 -0.02806 147 4YY -0.01794 0.00034 0.00432 0.01009 0.03105 148 4ZZ 0.04428 -0.01220 -0.01945 0.05310 0.02127 149 4XY 0.00088 0.05106 -0.00013 0.00127 -0.05778 150 4XZ -0.05261 0.01034 0.03495 -0.04569 0.03848 151 4YZ -0.02782 0.04387 0.02377 -0.00558 -0.03678 152 18 H 1S 0.00002 0.09047 -0.00001 0.00002 0.13841 153 2S -0.00008 -0.37447 0.00002 -0.00003 0.11087 154 19 H 1S -0.27743 -0.18562 0.14075 -0.02194 0.14022 155 2S -0.01079 0.70120 0.15934 -0.71344 0.12591 156 20 H 1S 0.27735 -0.18571 -0.14077 0.02195 0.14023 157 2S 0.01107 0.70123 -0.15926 0.71344 0.12587 158 21 H 1S -0.00003 -0.15619 -0.00002 0.00000 0.00065 159 2S 0.00002 0.14017 0.00004 -0.00001 0.32672 160 22 O 1S 0.00954 -0.00331 -0.00861 0.00800 -0.00259 161 2S 0.01612 0.02249 0.14151 0.09456 0.01567 162 2PX 0.13677 -0.00532 0.10104 -0.01812 -0.06750 163 2PY -0.01930 0.14678 0.11241 -0.05908 -0.12807 164 2PZ 0.04486 0.05074 0.21542 -0.06367 -0.01970 165 3S -0.33816 -0.02727 -0.05014 -0.15605 0.13124 166 3PX -0.38661 -0.03433 0.11442 0.00533 0.11001 167 3PY 0.05711 -0.16092 -0.18460 0.08460 0.12189 168 3PZ 0.00681 -0.08074 -0.32901 0.00430 0.04990 169 4XX 0.01959 0.00598 0.07371 0.04057 0.00248 170 4YY 0.03569 0.02168 0.00349 0.06417 -0.00330 171 4ZZ -0.03845 0.00236 0.02748 -0.00581 0.00202 172 4XY -0.01737 0.00599 0.00551 -0.01221 0.04036 173 4XZ 0.00831 0.02935 -0.01716 -0.04140 -0.00381 174 4YZ 0.00036 0.02007 -0.00114 0.02118 -0.01871 175 23 O 1S -0.00954 -0.00331 0.00861 -0.00800 -0.00260 176 2S -0.01610 0.02251 -0.14151 -0.09455 0.01565 177 2PX -0.13676 -0.00525 -0.10105 0.01811 -0.06749 178 2PY -0.01936 -0.14678 0.11238 -0.05908 0.12810 179 2PZ -0.04484 0.05078 -0.21542 0.06366 -0.01970 180 3S 0.33813 -0.02739 0.05014 0.15605 0.13133 181 3PX 0.38658 -0.03447 -0.11441 -0.00532 0.11000 182 3PY 0.05718 0.16091 -0.18455 0.08460 -0.12195 183 3PZ -0.00685 -0.08077 0.32900 -0.00428 0.04989 184 4XX -0.01959 0.00600 -0.07371 -0.04056 0.00247 185 4YY -0.03568 0.02170 -0.00348 -0.06417 -0.00331 186 4ZZ 0.03846 0.00235 -0.02747 0.00581 0.00201 187 4XY -0.01737 -0.00598 0.00551 -0.01221 -0.04036 188 4XZ -0.00830 0.02935 0.01716 0.04140 -0.00382 189 4YZ 0.00035 -0.02007 -0.00114 0.02118 0.01870 106 107 108 109 110 V V V V V Eigenvalues -- 1.02296 1.02724 1.09208 1.09920 1.11415 1 1 C 1S 0.00453 -0.01305 -0.00843 0.01559 -0.01725 2 2S 0.29765 -0.43659 -0.29743 0.56433 -0.48724 3 2PX 0.02353 -0.00585 0.01865 -0.08146 0.10454 4 2PY -0.00012 -0.15816 0.03452 -0.01730 0.00855 5 2PZ 0.01074 0.05168 -0.01711 0.12161 0.00933 6 3S -1.19634 1.77905 0.82268 -1.78057 0.98211 7 3PX 0.09725 -0.20093 -0.10608 0.69644 -0.27254 8 3PY -0.21656 0.73772 0.17758 -0.14343 0.16463 9 3PZ -0.23039 0.11105 0.03043 -0.70172 0.04892 10 4XX -0.00145 0.00945 0.00589 -0.00591 -0.04630 11 4YY 0.00557 -0.04086 -0.00467 0.09247 -0.05713 12 4ZZ 0.02818 -0.03218 -0.03390 -0.01840 0.05684 13 4XY 0.00585 -0.01964 -0.00345 0.08273 -0.01808 14 4XZ -0.00395 0.00932 0.01783 -0.01968 0.02806 15 4YZ -0.01055 0.04158 0.00545 0.01702 -0.01909 16 2 C 1S -0.00452 -0.01306 0.00843 0.01559 -0.01725 17 2S -0.29747 -0.43671 0.29757 0.56427 -0.48728 18 2PX -0.02354 -0.00587 -0.01866 -0.08145 0.10454 19 2PY -0.00019 0.15815 0.03452 0.01728 -0.00854 20 2PZ -0.01077 0.05170 0.01714 0.12160 0.00933 21 3S 1.19565 1.77951 -0.82316 -1.78048 0.98228 22 3PX -0.09717 -0.20087 0.10626 0.69639 -0.27252 23 3PY -0.21627 -0.73764 0.17762 0.14335 -0.16466 24 3PZ 0.23036 0.11099 -0.03063 -0.70167 0.04885 25 4XX 0.00145 0.00944 -0.00590 -0.00591 -0.04630 26 4YY -0.00556 -0.04086 0.00470 0.09247 -0.05713 27 4ZZ -0.02817 -0.03219 0.03390 -0.01841 0.05683 28 4XY 0.00584 0.01964 -0.00347 -0.08273 0.01808 29 4XZ 0.00395 0.00933 -0.01784 -0.01968 0.02806 30 4YZ -0.01053 -0.04159 0.00545 -0.01702 0.01908 31 3 C 1S 0.01108 0.00052 0.01213 -0.02075 -0.01140 32 2S 0.20568 0.22170 -0.11798 -0.82673 0.05650 33 2PX 0.13598 0.11941 0.05080 -0.03394 0.00570 34 2PY -0.06600 0.10437 0.05027 0.03938 -0.11166 35 2PZ 0.01932 -0.06905 0.05427 0.10217 -0.05818 36 3S -0.97112 -1.03194 0.34571 2.75173 -0.53003 37 3PX -0.49659 -0.72811 0.16023 0.40513 -0.17682 38 3PY 0.01538 -0.02808 -0.36801 0.61481 0.13549 39 3PZ 0.26042 0.58403 -0.38298 -0.35696 0.16063 40 4XX -0.00483 -0.01549 0.03849 0.02452 -0.01700 41 4YY 0.01067 0.04112 -0.02371 -0.02318 0.02734 42 4ZZ 0.02254 -0.01531 -0.00592 -0.09208 -0.01680 43 4XY -0.00822 0.00156 0.00934 -0.02558 0.03090 44 4XZ 0.01037 0.01613 -0.02319 -0.01906 0.03531 45 4YZ 0.00528 0.00429 0.00484 -0.02568 0.05502 46 4 C 1S 0.00743 0.00467 -0.01167 0.00040 -0.01168 47 2S 0.10475 -0.35565 0.24803 -0.10970 -0.32107 48 2PX 0.06242 0.01814 -0.07802 -0.16478 0.13878 49 2PY -0.06495 0.23735 -0.11577 0.08624 0.02996 50 2PZ 0.05827 -0.26303 0.10663 -0.06443 -0.03506 51 3S -0.35399 0.97509 -0.33782 0.07192 0.77657 52 3PX 0.04600 -0.02543 0.45761 0.24329 -0.42647 53 3PY 0.19431 -0.39317 0.34360 -0.18783 -0.19182 54 3PZ -0.15286 0.59333 -0.32316 0.51755 0.12841 55 4XX 0.01653 0.01525 -0.02903 -0.01048 -0.01835 56 4YY 0.00417 -0.03545 0.02047 -0.00065 -0.04196 57 4ZZ 0.00475 -0.02508 0.03153 -0.00570 0.00570 58 4XY 0.01183 0.11388 -0.01237 0.09025 0.03025 59 4XZ -0.01820 -0.01731 0.02201 0.02387 -0.05802 60 4YZ 0.00533 -0.01914 0.02010 -0.04156 -0.05642 61 5 C 1S -0.00743 0.00466 0.01167 0.00040 -0.01168 62 2S -0.10467 -0.35569 -0.24806 -0.10964 -0.32111 63 2PX -0.06242 0.01811 0.07797 -0.16481 0.13876 64 2PY -0.06488 -0.23737 -0.11578 -0.08620 -0.02996 65 2PZ -0.05821 -0.26306 -0.10664 -0.06441 -0.03508 66 3S 0.35378 0.97522 0.33783 0.07188 0.77671 67 3PX -0.04601 -0.02536 -0.45755 0.24347 -0.42637 68 3PY 0.19419 0.39324 0.34364 0.18766 0.19184 69 3PZ 0.15270 0.59339 0.32331 0.51746 0.12849 70 4XX -0.01653 0.01525 0.02902 -0.01049 -0.01835 71 4YY -0.00417 -0.03545 -0.02047 -0.00064 -0.04197 72 4ZZ -0.00475 -0.02508 -0.03152 -0.00569 0.00570 73 4XY 0.01186 -0.11387 -0.01239 -0.09025 -0.03025 74 4XZ 0.01821 -0.01732 -0.02201 0.02387 -0.05802 75 4YZ 0.00532 0.01914 0.02012 0.04156 0.05642 76 6 C 1S -0.01108 0.00052 -0.01213 -0.02074 -0.01140 77 2S -0.20575 0.22167 0.11775 -0.82676 0.05644 78 2PX -0.13602 0.11937 -0.05082 -0.03392 0.00570 79 2PY -0.06596 -0.10437 0.05026 -0.03942 0.11169 80 2PZ -0.01930 -0.06907 -0.05424 0.10218 -0.05815 81 3S 0.97147 -1.03183 -0.34493 2.75185 -0.52998 82 3PX 0.49686 -0.72802 -0.16010 0.40516 -0.17680 83 3PY 0.01540 0.02803 -0.36821 -0.61460 -0.13556 84 3PZ -0.26063 0.58397 0.38287 -0.35709 0.16052 85 4XX 0.00484 -0.01549 -0.03849 0.02453 -0.01700 86 4YY -0.01069 0.04112 0.02371 -0.02319 0.02734 87 4ZZ -0.02253 -0.01532 0.00590 -0.09207 -0.01680 88 4XY -0.00822 -0.00157 0.00934 0.02558 -0.03091 89 4XZ -0.01038 0.01613 0.02318 -0.01907 0.03532 90 4YZ 0.00528 -0.00429 0.00484 0.02568 -0.05502 91 7 H 1S 0.03484 -0.04313 -0.08730 -0.10260 -0.02506 92 2S 0.14781 -0.34974 -0.09977 -0.10679 -0.16495 93 8 H 1S -0.03482 -0.04317 0.08727 -0.10262 -0.02510 94 2S -0.14766 -0.34980 0.09973 -0.10680 -0.16498 95 9 H 1S 0.03651 0.12734 -0.05121 0.10787 -0.09521 96 2S 0.20906 0.00664 -0.25282 -0.29646 0.19253 97 10 H 1S 0.07036 0.43265 -0.29347 0.14160 0.09248 98 2S 0.09387 -1.12786 0.88205 -0.22912 -0.75485 99 11 H 1S -0.07046 0.43266 0.29349 0.14153 0.09246 100 2S -0.09359 -1.12790 -0.88208 -0.22885 -0.75483 101 12 H 1S -0.03658 0.12733 0.05123 0.10783 -0.09521 102 2S -0.20904 0.00661 0.25274 -0.29656 0.19255 103 13 H 1S 0.06497 0.07319 0.17692 -0.05072 -0.00839 104 2S -0.28533 -0.46962 -0.23012 -0.38030 -0.01453 105 14 H 1S -0.06498 0.07318 -0.17693 -0.05067 -0.00835 106 2S 0.28544 -0.46952 0.23003 -0.38036 -0.01448 107 15 C 1S 0.00000 -0.00096 0.00000 0.02843 -0.03479 108 2S -0.00006 0.28414 0.00007 0.55403 -0.49364 109 2PX 0.00005 -0.33917 -0.00001 -0.10075 0.03322 110 2PY -0.25325 -0.00004 0.00511 0.00000 0.00000 111 2PZ -0.00002 0.09392 0.00000 -0.02679 0.02136 112 3S 0.00017 -0.94653 -0.00021 -1.65149 0.76638 113 3PX -0.00015 1.00436 0.00002 0.29847 -0.20753 114 3PY 0.75501 0.00012 0.36897 -0.00006 -0.00004 115 3PZ 0.00003 -0.17223 -0.00006 -0.32274 -0.47145 116 4XX -0.00002 0.12183 0.00000 0.01967 -0.10759 117 4YY -0.00001 0.04720 0.00000 0.02850 0.00343 118 4ZZ 0.00002 -0.11857 0.00001 0.01464 -0.03346 119 4XY -0.00347 0.00000 0.14953 -0.00002 -0.00001 120 4XZ 0.00001 -0.04074 0.00001 0.05196 0.15572 121 4YZ 0.10162 0.00002 0.05834 -0.00001 0.00000 122 16 C 1S 0.01055 -0.00076 0.00464 0.00903 0.01457 123 2S -0.10639 0.04412 -0.08644 -0.21105 0.32896 124 2PX -0.18612 0.06352 -0.06186 -0.13924 0.16807 125 2PY -0.18763 -0.06824 0.01284 -0.00796 0.05675 126 2PZ 0.04738 -0.09596 -0.13367 0.01319 0.05958 127 3S 1.28442 -0.24387 0.37752 0.44935 -0.04595 128 3PX 0.36673 -0.03982 -0.16531 -0.21831 -0.43584 129 3PY 1.23312 0.18472 0.21616 0.03855 -0.33725 130 3PZ 0.10703 0.17244 1.10043 0.11925 -0.13303 131 4XX 0.01128 0.00971 -0.04106 0.05140 -0.02848 132 4YY 0.01928 -0.00777 0.00394 -0.05473 0.04719 133 4ZZ 0.02234 0.00409 0.05030 0.04400 0.02869 134 4XY -0.00690 0.01580 -0.01313 -0.01726 0.01440 135 4XZ -0.07232 -0.01516 -0.01460 0.01271 -0.00873 136 4YZ 0.00019 0.04930 0.00216 -0.05332 -0.08911 137 17 C 1S -0.01055 -0.00076 -0.00464 0.00903 0.01457 138 2S 0.10635 0.04420 0.08641 -0.21107 0.32888 139 2PX 0.18609 0.06358 0.06183 -0.13925 0.16806 140 2PY -0.18765 0.06819 0.01284 0.00796 -0.05674 141 2PZ -0.04735 -0.09597 0.13368 0.01315 0.05957 142 3S -1.28431 -0.24440 -0.37743 0.44947 -0.04559 143 3PX -0.36669 -0.03994 0.16522 -0.21838 -0.43595 144 3PY 1.23318 -0.18433 0.21619 -0.03866 0.33711 145 3PZ -0.10705 0.17241 -1.10041 0.11958 -0.13288 146 4XX -0.01128 0.00971 0.04108 0.05139 -0.02848 147 4YY -0.01929 -0.00777 -0.00395 -0.05473 0.04719 148 4ZZ -0.02235 0.00408 -0.05028 0.04402 0.02870 149 4XY -0.00689 -0.01580 -0.01313 0.01726 -0.01440 150 4XZ 0.07233 -0.01514 0.01461 0.01270 -0.00873 151 4YZ 0.00021 -0.04930 0.00218 0.05332 0.08911 152 18 H 1S 0.00007 -0.47963 0.00002 0.10596 -0.03813 153 2S -0.00015 1.02106 0.00007 0.55885 0.19898 154 19 H 1S 0.07748 -0.00140 0.24508 0.08689 -0.02616 155 2S 0.14374 0.16883 0.29774 -0.04621 -0.02378 156 20 H 1S -0.07748 -0.00142 -0.24506 0.08696 -0.02613 157 2S -0.14380 0.16882 -0.29774 -0.04611 -0.02376 158 21 H 1S -0.00001 0.03440 0.00001 0.10103 -0.05010 159 2S -0.00010 0.62674 0.00005 0.47172 -0.32670 160 22 O 1S 0.00630 -0.00082 0.00160 0.00673 0.01303 161 2S 0.45996 -0.12925 -0.00502 0.07664 0.21751 162 2PX -0.26731 0.05535 -0.34313 0.03178 -0.07795 163 2PY 0.37361 -0.06668 -0.25214 -0.11469 0.13225 164 2PZ -0.03930 0.06640 -0.26358 -0.31433 -0.41611 165 3S -1.13273 0.11679 0.18425 -0.24520 -0.75834 166 3PX 0.45543 -0.15917 0.71556 -0.24828 0.11822 167 3PY -0.65953 0.21056 0.38817 0.20308 -0.16321 168 3PZ 0.00465 -0.18364 0.30405 0.61898 0.73065 169 4XX 0.12947 -0.07380 -0.09943 0.01252 0.14778 170 4YY 0.09193 -0.03563 0.04625 0.03108 -0.03214 171 4ZZ 0.21128 -0.01683 0.04750 0.00723 0.08805 172 4XY 0.01517 -0.05142 -0.01392 0.00632 0.04811 173 4XZ -0.00424 0.00416 -0.06627 -0.02075 -0.00930 174 4YZ -0.01379 -0.04618 0.00121 0.01452 0.02437 175 23 O 1S -0.00630 -0.00082 -0.00159 0.00674 0.01303 176 2S -0.45992 -0.12939 0.00506 0.07665 0.21752 177 2PX 0.26729 0.05544 0.34313 0.03168 -0.07798 178 2PY 0.37359 0.06678 -0.25212 0.11477 -0.13222 179 2PZ 0.03929 0.06643 0.26346 -0.31439 -0.41610 180 3S 1.13268 0.11714 -0.18435 -0.24517 -0.75829 181 3PX -0.45538 -0.15932 -0.71560 -0.24806 0.11830 182 3PY -0.65947 -0.21074 0.38813 -0.20320 0.16317 183 3PZ -0.00461 -0.18366 -0.30382 0.61904 0.73060 184 4XX -0.12945 -0.07384 0.09945 0.01250 0.14778 185 4YY -0.09192 -0.03566 -0.04624 0.03110 -0.03214 186 4ZZ -0.21127 -0.01689 -0.04749 0.00725 0.08805 187 4XY 0.01515 0.05143 -0.01393 -0.00632 -0.04811 188 4XZ 0.00424 0.00416 0.06626 -0.02078 -0.00931 189 4YZ -0.01380 0.04618 0.00121 -0.01452 -0.02437 111 112 113 114 115 V V V V V Eigenvalues -- 1.14921 1.15185 1.18945 1.20405 1.25127 1 1 C 1S 0.00257 0.00064 -0.00168 0.00951 0.04030 2 2S 0.01209 0.04072 -0.18480 0.35367 0.90581 3 2PX -0.00661 0.01636 -0.00059 -0.08113 -0.03390 4 2PY -0.05894 0.07537 0.04399 -0.07627 -0.00015 5 2PZ 0.05689 -0.02478 0.05178 0.11863 -0.15854 6 3S 0.39275 -0.43587 0.02557 0.07414 -3.44739 7 3PX 0.62450 -0.04821 -0.10616 0.45836 -0.04327 8 3PY 0.22546 -0.32267 -0.42572 -0.85460 0.19756 9 3PZ -1.03995 0.08408 0.14552 -0.27905 0.77022 10 4XX 0.05801 0.02319 -0.00626 0.02532 0.04055 11 4YY -0.00413 -0.00956 -0.02822 0.01240 0.01612 12 4ZZ -0.06672 -0.00581 0.02306 0.00044 0.03164 13 4XY -0.03514 -0.01180 -0.11163 -0.02842 0.06144 14 4XZ -0.01240 0.00406 -0.00683 -0.05166 -0.07664 15 4YZ 0.05351 -0.04265 -0.12674 -0.00010 -0.01152 16 2 C 1S -0.00257 0.00063 -0.00168 -0.00951 -0.04030 17 2S -0.01218 0.04069 -0.18481 -0.35370 -0.90583 18 2PX 0.00661 0.01637 -0.00061 0.08113 0.03391 19 2PY -0.05887 -0.07543 -0.04397 -0.07627 -0.00016 20 2PZ -0.05687 -0.02486 0.05183 -0.11862 0.15851 21 3S -0.39223 -0.43624 0.02602 -0.07415 3.44743 22 3PX -0.62450 -0.04889 -0.10607 -0.45837 0.04323 23 3PY 0.22512 0.32278 0.42597 -0.85450 0.19757 24 3PZ 1.03990 0.08515 0.14541 0.27907 -0.77018 25 4XX -0.05803 0.02314 -0.00626 -0.02533 -0.04054 26 4YY 0.00412 -0.00956 -0.02822 -0.01240 -0.01613 27 4ZZ 0.06674 -0.00574 0.02306 -0.00044 -0.03165 28 4XY -0.03515 0.01177 0.11164 -0.02839 0.06142 29 4XZ 0.01240 0.00408 -0.00683 0.05165 0.07665 30 4YZ 0.05347 0.04270 0.12674 -0.00007 -0.01152 31 3 C 1S 0.00786 0.00319 0.00508 0.02079 0.00099 32 2S -0.40038 0.27248 0.07664 0.20123 0.26928 33 2PX -0.03884 -0.16543 0.02934 -0.02837 0.02100 34 2PY -0.29278 -0.05627 0.10085 -0.33601 0.05169 35 2PZ 0.14137 0.01251 0.08613 -0.02013 -0.06978 36 3S -0.28211 -0.38201 -0.77911 -1.58209 -0.88712 37 3PX -0.01225 0.43425 0.17021 0.24587 -0.56074 38 3PY 0.60792 0.03712 -0.87204 1.77646 -0.14146 39 3PZ -0.63075 -0.26767 -0.95536 0.38319 0.33196 40 4XX 0.02630 -0.03275 -0.05383 -0.00353 -0.04306 41 4YY -0.02243 0.01587 -0.01822 0.13683 -0.00395 42 4ZZ -0.02469 0.04203 0.06167 -0.08048 0.04665 43 4XY 0.04112 -0.01488 0.01872 -0.05778 0.05128 44 4XZ 0.10572 -0.00345 -0.00813 0.01909 0.02180 45 4YZ 0.03877 0.01704 -0.00910 0.02209 0.07805 46 4 C 1S -0.02842 0.00258 -0.03867 0.01355 -0.01251 47 2S -0.38613 0.05421 -0.80690 0.18751 -0.28713 48 2PX -0.08569 -0.01456 0.11805 0.00194 -0.15112 49 2PY 0.01174 0.04198 -0.04726 -0.04693 0.01426 50 2PZ -0.12778 -0.10691 0.03618 0.16542 -0.03509 51 3S 1.27759 0.35462 2.26095 -1.55302 0.91958 52 3PX 0.42643 -0.06760 -0.04968 -0.38268 0.81662 53 3PY -0.53896 -0.16637 -0.29972 -1.06531 0.24202 54 3PZ 0.56736 0.04992 -0.52374 -0.43556 0.39237 55 4XX 0.01106 -0.00147 0.00533 -0.00945 0.00451 56 4YY -0.01727 -0.01419 -0.07309 -0.01428 -0.01316 57 4ZZ -0.05095 0.02486 -0.05729 0.03759 -0.02266 58 4XY 0.00173 -0.00971 -0.06092 0.00514 0.00755 59 4XZ -0.06505 -0.04531 0.00092 0.04328 -0.09960 60 4YZ -0.03500 0.00098 0.08694 -0.06296 -0.00482 61 5 C 1S 0.02841 0.00261 -0.03867 -0.01357 0.01252 62 2S 0.38602 0.05456 -0.80682 -0.18777 0.28732 63 2PX 0.08573 -0.01448 0.11807 -0.00191 0.15113 64 2PY 0.01176 -0.04197 0.04727 -0.04690 0.01425 65 2PZ 0.12787 -0.10680 0.03623 -0.16540 0.03508 66 3S -1.27774 0.35352 2.26044 1.55375 -0.92013 67 3PX -0.42644 -0.06795 -0.04987 0.38269 -0.81668 68 3PY -0.53904 0.16580 0.30007 -1.06522 0.24192 69 3PZ -0.56741 0.04940 -0.52387 0.43532 -0.39226 70 4XX -0.01106 -0.00148 0.00533 0.00944 -0.00450 71 4YY 0.01728 -0.01418 -0.07309 0.01426 0.01317 72 4ZZ 0.05092 0.02491 -0.05728 -0.03761 0.02265 73 4XY 0.00171 0.00971 0.06092 0.00515 0.00756 74 4XZ 0.06509 -0.04525 0.00094 -0.04327 0.09959 75 4YZ -0.03499 -0.00102 -0.08693 -0.06299 -0.00481 76 6 C 1S -0.00786 0.00318 0.00508 -0.02078 -0.00099 77 2S 0.40014 0.27285 0.07665 -0.20118 -0.26935 78 2PX 0.03900 -0.16539 0.02933 0.02838 -0.02099 79 2PY -0.29282 0.05596 -0.10076 -0.33604 0.05170 80 2PZ -0.14139 0.01239 0.08613 0.02015 0.06977 81 3S 0.28238 -0.38160 -0.77937 1.58176 0.88740 82 3PX 0.01182 0.43428 0.17033 -0.24583 0.56065 83 3PY 0.60794 -0.03641 0.87155 1.77673 -0.14150 84 3PZ 0.63101 -0.26715 -0.95529 -0.38344 -0.33178 85 4XX -0.02628 -0.03277 -0.05383 0.00352 0.04305 86 4YY 0.02242 0.01588 -0.01818 -0.13684 0.00394 87 4ZZ 0.02466 0.04205 0.06164 0.08049 -0.04664 88 4XY 0.04111 0.01491 -0.01870 -0.05779 0.05129 89 4XZ -0.10571 -0.00355 -0.00812 -0.01910 -0.02179 90 4YZ 0.03878 -0.01701 0.00909 0.02209 0.07806 91 7 H 1S -0.39934 0.07293 0.14159 0.05174 0.37776 92 2S -0.39271 0.13758 -0.02444 -0.02729 0.65752 93 8 H 1S 0.39927 0.07331 0.14157 -0.05170 -0.37776 94 2S 0.39258 0.13797 -0.02451 0.02728 -0.65747 95 9 H 1S 0.09836 -0.04715 -0.13586 0.54264 0.05619 96 2S 0.29776 0.20132 -0.30672 0.82785 0.06708 97 10 H 1S 0.00111 0.08629 -0.10656 -0.14369 0.08680 98 2S -0.46202 -0.24122 -0.36871 0.08298 -0.02841 99 11 H 1S -0.00117 0.08630 -0.10661 0.14363 -0.08675 100 2S 0.46211 -0.24077 -0.36870 -0.08305 0.02846 101 12 H 1S -0.09833 -0.04728 -0.13572 -0.54266 -0.05621 102 2S -0.29794 0.20098 -0.30651 -0.82794 -0.06707 103 13 H 1S 0.25515 0.04428 -0.13639 -0.08317 0.18557 104 2S 0.49800 -0.06681 -0.13529 -0.21017 0.35733 105 14 H 1S -0.25520 0.04405 -0.13643 0.08312 -0.18553 106 2S -0.49794 -0.06726 -0.13538 0.21013 -0.35726 107 15 C 1S -0.00001 0.02224 0.04279 0.00000 0.00000 108 2S -0.00018 0.30636 0.74453 0.00006 0.00002 109 2PX 0.00003 -0.06274 0.29015 0.00004 -0.00002 110 2PY 0.03741 0.00002 0.00000 0.00609 0.05643 111 2PZ -0.00008 0.17968 -0.02062 -0.00001 0.00000 112 3S 0.00031 -0.52554 -1.16653 -0.00005 -0.00012 113 3PX 0.00022 -0.47154 -0.39137 -0.00003 0.00002 114 3PY 0.44399 0.00018 0.00007 -0.60855 0.11054 115 3PZ 0.00032 -0.72177 -0.41047 -0.00003 0.00003 116 4XX -0.00001 0.00510 -0.00721 0.00000 0.00001 117 4YY 0.00002 -0.04357 0.11029 0.00002 -0.00001 118 4ZZ -0.00008 0.15090 0.01022 -0.00001 0.00001 119 4XY 0.00365 0.00000 0.00001 -0.01962 0.07458 120 4XZ 0.00010 -0.20509 -0.00406 0.00001 -0.00001 121 4YZ -0.07040 -0.00003 0.00000 0.06269 0.01601 122 16 C 1S -0.00047 -0.02009 -0.00438 -0.00221 0.00741 123 2S -0.58315 -0.13805 0.00682 -0.10226 0.25521 124 2PX -0.10250 0.04490 -0.03921 -0.09912 0.16311 125 2PY -0.09993 -0.07459 -0.06235 0.13995 0.04372 126 2PZ -0.10556 -0.14710 0.11888 -0.07881 -0.13908 127 3S 2.40157 -0.24705 0.10735 -0.94579 -0.57666 128 3PX -0.78360 0.10080 -0.27621 0.81576 -1.00086 129 3PY 1.00181 0.32034 0.36081 -0.65099 -0.10663 130 3PZ 0.95098 0.09045 0.12057 -0.13882 1.11289 131 4XX 0.01190 -0.09080 -0.08418 -0.02725 -0.08941 132 4YY 0.00069 -0.00651 -0.02579 -0.00738 0.00790 133 4ZZ 0.01226 0.04738 0.10286 -0.02354 0.11842 134 4XY -0.00283 -0.10450 0.12499 0.01385 0.00735 135 4XZ 0.01115 -0.03153 0.02074 0.05657 -0.02438 136 4YZ 0.00623 -0.00931 0.02988 0.01878 0.03741 137 17 C 1S 0.00049 -0.02009 -0.00438 0.00221 -0.00741 138 2S 0.58332 -0.13750 0.00676 0.10225 -0.25518 139 2PX 0.10248 0.04501 -0.03925 0.09910 -0.16309 140 2PY -0.10001 0.07451 0.06231 0.13995 0.04372 141 2PZ 0.10570 -0.14699 0.11888 0.07885 0.13906 142 3S -2.40134 -0.24918 0.10717 0.94585 0.57659 143 3PX 0.78346 0.10144 -0.27593 -0.81580 1.00083 144 3PY 1.00218 -0.31949 -0.36063 -0.65105 -0.10661 145 3PZ -0.95104 0.08963 0.12042 0.13881 -1.11287 146 4XX -0.01182 -0.09081 -0.08417 0.02723 0.08944 147 4YY -0.00068 -0.00651 -0.02579 0.00737 -0.00791 148 4ZZ -0.01230 0.04737 0.10283 0.02356 -0.11843 149 4XY -0.00293 0.10450 -0.12499 0.01381 0.00739 150 4XZ -0.01112 -0.03154 0.02075 -0.05656 0.02437 151 4YZ 0.00623 0.00932 -0.02989 0.01877 0.03741 152 18 H 1S -0.00002 0.03253 0.16186 0.00001 0.00001 153 2S -0.00026 0.59752 0.58126 0.00004 -0.00001 154 19 H 1S 0.19136 -0.04881 0.24749 -0.01471 0.33503 155 2S 0.19975 0.18491 -0.10079 -0.16697 0.34016 156 20 H 1S -0.19132 -0.04897 0.24745 0.01477 -0.33505 157 2S -0.19993 0.18475 -0.10087 0.16691 -0.34009 158 21 H 1S 0.00011 -0.23471 0.17282 0.00002 0.00001 159 2S -0.00004 0.03984 -0.11337 -0.00003 0.00004 160 22 O 1S -0.00268 -0.01388 0.01445 0.00267 -0.00397 161 2S 0.06950 -0.27697 0.18839 0.02843 -0.01552 162 2PX -0.01703 -0.42865 0.05342 0.14113 0.02068 163 2PY -0.03281 -0.16109 -0.23454 -0.02804 -0.10512 164 2PZ 0.25407 -0.11325 0.00041 -0.24981 0.09656 165 3S 0.37808 0.66771 -0.37383 -0.15501 0.48081 166 3PX 0.38024 0.80389 -0.10643 -0.46127 0.17370 167 3PY -0.01444 0.27342 0.48001 0.08506 0.17047 168 3PZ -0.59742 0.13631 0.11876 0.65399 -0.22176 169 4XX 0.03602 -0.09325 0.09074 -0.00382 -0.08654 170 4YY 0.04311 0.04861 0.04915 0.00812 0.01464 171 4ZZ -0.01521 -0.20001 0.00768 0.00427 0.05318 172 4XY -0.00151 0.01898 0.01810 -0.03716 -0.00457 173 4XZ -0.05752 0.05023 -0.05264 -0.02288 -0.06194 174 4YZ -0.00742 0.05371 -0.06415 0.03453 0.00272 175 23 O 1S 0.00270 -0.01388 0.01445 -0.00266 0.00396 176 2S -0.06922 -0.27703 0.18839 -0.02837 0.01549 177 2PX 0.01743 -0.42865 0.05344 -0.14109 -0.02066 178 2PY -0.03296 0.16106 0.23454 -0.02801 -0.10513 179 2PZ -0.25401 -0.11346 0.00036 0.24984 -0.09659 180 3S -0.37879 0.66738 -0.37391 0.15486 -0.48069 181 3PX -0.38098 0.80359 -0.10654 0.46121 -0.17375 182 3PY -0.01420 -0.27343 -0.48003 0.08499 0.17050 183 3PZ 0.59737 0.13681 0.11890 -0.65403 0.22183 184 4XX -0.03592 -0.09328 0.09075 0.00385 0.08651 185 4YY -0.04316 0.04857 0.04915 -0.00812 -0.01463 186 4ZZ 0.01540 -0.19999 0.00767 -0.00425 -0.05319 187 4XY -0.00150 -0.01899 -0.01809 -0.03716 -0.00456 188 4XZ 0.05747 0.05029 -0.05264 0.02287 0.06194 189 4YZ -0.00737 -0.05371 0.06415 0.03455 0.00270 116 117 118 119 120 V V V V V Eigenvalues -- 1.26440 1.36727 1.37044 1.39833 1.42708 1 1 C 1S 0.01228 0.00327 -0.02933 -0.00467 0.01971 2 2S 0.34849 0.08645 -0.56151 -0.12314 0.40202 3 2PX -0.10635 -0.06345 0.03727 -0.02795 -0.00540 4 2PY -0.08208 -0.00683 -0.01956 0.06955 0.02609 5 2PZ 0.10518 0.03887 -0.07482 -0.05099 0.09513 6 3S -0.62743 -0.21217 1.90709 0.03478 -2.71464 7 3PX 0.43456 0.22857 -0.59614 -0.29043 0.89871 8 3PY 0.20129 0.02396 -0.41086 -0.41369 1.27231 9 3PZ -0.40477 -0.17267 0.25687 0.39845 -1.29858 10 4XX -0.00588 -0.15183 -0.12138 -0.19835 0.08177 11 4YY 0.06996 0.04888 -0.00224 -0.04170 -0.00143 12 4ZZ -0.05185 0.09881 0.07751 0.22899 -0.07057 13 4XY -0.00325 0.04169 0.00473 0.02390 0.01591 14 4XZ -0.04866 -0.05833 0.05473 0.06701 0.00708 15 4YZ 0.01381 0.05323 0.02858 0.11100 0.01241 16 2 C 1S 0.01227 0.00326 0.02933 -0.00468 -0.01971 17 2S 0.34835 0.08631 0.56154 -0.12323 -0.40200 18 2PX -0.10635 -0.06344 -0.03728 -0.02795 0.00539 19 2PY 0.08209 0.00683 -0.01955 -0.06955 0.02611 20 2PZ 0.10521 0.03885 0.07483 -0.05101 -0.09512 21 3S -0.62677 -0.21159 -1.90711 0.03551 2.71466 22 3PX 0.43457 0.22842 0.59622 -0.29070 -0.89871 23 3PY -0.20116 -0.02373 -0.41091 0.41409 1.27220 24 3PZ -0.40486 -0.17256 -0.25695 0.39885 1.29857 25 4XX -0.00588 -0.15185 0.12137 -0.19836 -0.08175 26 4YY 0.06995 0.04888 0.00225 -0.04169 0.00143 27 4ZZ -0.05185 0.09883 -0.07751 0.22899 0.07056 28 4XY 0.00326 -0.04169 0.00472 -0.02390 0.01591 29 4XZ -0.04865 -0.05833 -0.05474 0.06700 -0.00709 30 4YZ -0.01381 -0.05323 0.02857 -0.11100 0.01242 31 3 C 1S 0.02392 -0.00358 0.00678 0.03049 0.00199 32 2S 0.22085 -0.04070 0.01115 0.38691 0.13143 33 2PX -0.09518 -0.00155 0.04861 -0.08864 -0.04664 34 2PY -0.00775 -0.08478 0.06381 0.07744 0.07147 35 2PZ 0.03996 0.00427 0.04322 0.00875 0.01695 36 3S -0.72320 -0.19905 0.47746 -1.03708 -1.48758 37 3PX 0.49242 0.09129 -0.14338 0.30318 -0.17437 38 3PY 0.42628 0.06659 -0.29183 -0.47607 -1.33131 39 3PZ -0.58838 -0.42141 -0.46403 -0.25030 -0.27885 40 4XX -0.00534 0.08804 -0.09579 0.19331 0.03480 41 4YY 0.06300 0.05494 -0.02954 -0.05793 -0.06513 42 4ZZ -0.04326 -0.15722 0.12098 -0.07235 -0.00188 43 4XY -0.00115 0.05295 0.03346 0.04490 0.05942 44 4XZ -0.07338 -0.05164 0.01903 0.00074 -0.01861 45 4YZ 0.00020 0.09282 -0.07975 0.16044 0.08189 46 4 C 1S -0.04202 -0.03924 -0.02434 0.00601 -0.02053 47 2S -0.63846 -0.61939 -0.27409 0.37930 -0.22985 48 2PX -0.18527 0.11433 -0.14699 0.00639 0.08324 49 2PY 0.01363 -0.10163 0.05218 0.06505 0.01097 50 2PZ 0.00055 0.20117 -0.08271 -0.15544 -0.03371 51 3S 1.87507 1.34509 1.31558 0.00661 1.58616 52 3PX 0.37823 -0.22841 0.85160 0.05297 -0.28347 53 3PY -0.53882 -0.18626 0.30556 -0.18192 0.32705 54 3PZ -0.11627 -0.40848 0.29556 -0.02062 -0.36281 55 4XX -0.07913 -0.08723 0.02645 -0.07005 -0.05198 56 4YY -0.04830 -0.05724 0.01102 0.00787 0.00258 57 4ZZ 0.01808 0.07241 -0.07495 0.09486 0.03743 58 4XY 0.09062 0.07411 -0.04410 0.07256 0.02519 59 4XZ 0.00969 0.00424 -0.08842 -0.00114 0.00853 60 4YZ 0.01381 -0.13573 0.04108 -0.00565 0.02388 61 5 C 1S -0.04202 -0.03924 0.02433 0.00602 0.02053 62 2S -0.63840 -0.61943 0.27395 0.37937 0.22983 63 2PX -0.18525 0.11430 0.14700 0.00638 -0.08325 64 2PY -0.01363 0.10161 0.05220 -0.06504 0.01097 65 2PZ 0.00057 0.20116 0.08275 -0.15543 0.03373 66 3S 1.87477 1.34523 -1.31534 0.00608 -1.58622 67 3PX 0.37810 -0.22824 -0.85163 0.05298 0.28348 68 3PY 0.53894 0.18624 0.30560 0.18203 0.32700 69 3PZ -0.11633 -0.40837 -0.29559 -0.02053 0.36284 70 4XX -0.07913 -0.08722 -0.02646 -0.07004 0.05199 71 4YY -0.04830 -0.05725 -0.01104 0.00786 -0.00258 72 4ZZ 0.01808 0.07241 0.07495 0.09485 -0.03744 73 4XY -0.09062 -0.07410 -0.04411 -0.07256 0.02521 74 4XZ 0.00971 0.00423 0.08842 -0.00113 -0.00855 75 4YZ -0.01381 0.13572 0.04111 0.00566 0.02389 76 6 C 1S 0.02392 -0.00357 -0.00679 0.03049 -0.00200 77 2S 0.22080 -0.04071 -0.01118 0.38686 -0.13147 78 2PX -0.09518 -0.00153 -0.04860 -0.08861 0.04665 79 2PY 0.00778 0.08478 0.06384 -0.07742 0.07147 80 2PZ 0.03997 0.00428 -0.04323 0.00873 -0.01695 81 3S -0.72307 -0.19889 -0.47744 -1.03665 1.48772 82 3PX 0.49254 0.09125 0.14337 0.30321 0.17434 83 3PY -0.42643 -0.06665 -0.29195 0.47567 -1.33135 84 3PZ -0.58842 -0.42146 0.46398 -0.25016 0.27886 85 4XX -0.00534 0.08802 0.09579 0.19333 -0.03482 86 4YY 0.06301 0.05495 0.02956 -0.05790 0.06513 87 4ZZ -0.04327 -0.15721 -0.12101 -0.07238 0.00189 88 4XY 0.00116 -0.05295 0.03345 -0.04488 0.05941 89 4XZ -0.07339 -0.05164 -0.01903 0.00073 0.01862 90 4YZ -0.00019 -0.09279 -0.07975 -0.16042 0.08190 91 7 H 1S -0.06926 -0.04128 -0.01254 0.19127 -0.23555 92 2S -0.22112 -0.14760 0.04638 0.24157 -0.43674 93 8 H 1S -0.06930 -0.04127 0.01251 0.19135 0.23553 94 2S -0.22122 -0.14757 -0.04643 0.24172 0.43671 95 9 H 1S 0.24037 -0.07989 -0.12290 0.04809 -0.16445 96 2S 0.14703 0.05378 -0.12055 -0.05603 -0.33955 97 10 H 1S -0.15626 -0.17613 0.07089 -0.03532 -0.13030 98 2S -0.12904 -0.30975 0.06181 0.14651 -0.17679 99 11 H 1S -0.15628 -0.17611 -0.07092 -0.03529 0.13031 100 2S -0.12901 -0.30973 -0.06188 0.14655 0.17679 101 12 H 1S 0.24040 -0.07989 0.12290 0.04815 0.16444 102 2S 0.14708 0.05379 0.12058 -0.05594 0.33955 103 13 H 1S -0.17102 -0.21641 0.17251 0.02054 0.00128 104 2S -0.47081 0.11152 0.39317 0.00467 -0.05600 105 14 H 1S -0.17105 -0.21637 -0.17256 0.02054 -0.00127 106 2S -0.47087 0.11160 -0.39317 0.00465 0.05601 107 15 C 1S -0.05236 -0.00936 0.00000 0.02836 0.00000 108 2S -0.82046 0.04667 -0.00002 0.32654 -0.00002 109 2PX 0.05161 -0.02870 -0.00001 0.04112 0.00000 110 2PY 0.00001 0.00002 -0.17749 -0.00001 -0.06167 111 2PZ 0.00188 0.03013 0.00000 0.01053 0.00000 112 3S 2.59775 -0.03974 0.00006 -1.08422 0.00005 113 3PX -0.02732 0.30914 0.00005 -0.26546 0.00001 114 3PY 0.00003 0.00009 -0.98908 -0.00005 -0.27205 115 3PZ -0.30549 0.12324 0.00000 0.05733 -0.00001 116 4XX -0.08369 0.07474 0.00000 0.08338 0.00000 117 4YY 0.10587 -0.07446 -0.00001 -0.00382 0.00000 118 4ZZ -0.08515 -0.01015 0.00000 -0.05402 0.00000 119 4XY 0.00001 0.00001 -0.06776 0.00000 -0.36286 120 4XZ 0.07624 -0.12740 -0.00001 0.04468 -0.00001 121 4YZ 0.00000 -0.00002 0.16885 0.00001 -0.29093 122 16 C 1S -0.01131 0.01609 -0.02504 -0.02891 0.00971 123 2S -0.31834 0.38212 -0.34935 -0.50959 0.36832 124 2PX -0.13205 0.07670 -0.03623 -0.15008 0.07918 125 2PY 0.11107 0.03981 -0.00256 -0.04255 -0.06976 126 2PZ 0.01299 0.17794 -0.08789 -0.10665 -0.00336 127 3S 0.36084 -0.57832 1.52709 1.15124 -1.28398 128 3PX 0.44554 0.20664 0.41995 -0.05035 0.35566 129 3PY -0.23836 -0.11257 1.91652 -0.10728 0.33940 130 3PZ -0.24848 -0.51296 0.14124 0.49915 0.18216 131 4XX -0.14370 -0.02778 -0.15324 -0.13925 -0.01120 132 4YY 0.02602 0.05749 0.01375 -0.09253 0.00074 133 4ZZ 0.02872 -0.01602 0.08837 0.22956 -0.00624 134 4XY 0.12675 -0.24441 -0.03358 0.07525 -0.01114 135 4XZ 0.04357 -0.17102 0.07165 0.01109 -0.02495 136 4YZ -0.00765 -0.10538 0.00049 -0.09709 0.09738 137 17 C 1S -0.01131 0.01609 0.02505 -0.02890 -0.00971 138 2S -0.31840 0.38204 0.34946 -0.50963 -0.36828 139 2PX -0.13208 0.07668 0.03626 -0.15011 -0.07917 140 2PY -0.11108 -0.03982 -0.00258 0.04254 -0.06976 141 2PZ 0.01300 0.17793 0.08793 -0.10665 0.00336 142 3S 0.36092 -0.57802 -1.52727 1.15131 1.28387 143 3PX 0.44573 0.20675 -0.41993 -0.05040 -0.35565 144 3PY 0.23837 0.11227 1.91655 0.10743 0.33939 145 3PZ -0.24861 -0.51294 -0.14131 0.49919 -0.18220 146 4XX -0.14369 -0.02780 0.15324 -0.13922 0.01122 147 4YY 0.02602 0.05749 -0.01373 -0.09253 -0.00074 148 4ZZ 0.02870 -0.01600 -0.08839 0.22954 0.00622 149 4XY -0.12676 0.24442 -0.03352 -0.07525 -0.01115 150 4XZ 0.04358 -0.17099 -0.07168 0.01109 0.02496 151 4YZ 0.00766 0.10538 0.00051 0.09708 0.09735 152 18 H 1S -0.24465 -0.12866 -0.00002 0.14247 -0.00001 153 2S -0.15173 0.08193 0.00000 0.16886 -0.00001 154 19 H 1S -0.00534 -0.04458 0.14569 -0.04193 0.15842 155 2S -0.37748 -0.19569 0.29904 -0.02638 0.29775 156 20 H 1S -0.00539 -0.04456 -0.14570 -0.04194 -0.15842 157 2S -0.37753 -0.19565 -0.29908 -0.02642 -0.29775 158 21 H 1S -0.23103 0.05452 0.00000 0.04448 0.00000 159 2S -0.48221 0.12575 0.00001 -0.00440 0.00000 160 22 O 1S 0.01454 -0.01718 -0.00039 0.01509 0.01366 161 2S 0.05288 -0.18683 0.11872 0.14235 0.27648 162 2PX -0.21547 0.03749 0.30934 0.07768 0.05422 163 2PY 0.04584 -0.02610 0.10725 0.03033 -0.03007 164 2PZ 0.11008 0.11043 -0.23808 -0.01678 -0.19746 165 3S -0.51401 0.73220 -0.07704 -0.51187 -0.78444 166 3PX 0.58268 0.02966 -0.94701 -0.49727 -0.27136 167 3PY 0.07591 -0.04229 -0.50138 -0.07297 0.00196 168 3PZ -0.39598 -0.27916 0.85970 0.18085 0.64968 169 4XX 0.11640 -0.05520 -0.01941 0.19800 0.23067 170 4YY -0.11173 0.05174 -0.03168 0.00870 0.05931 171 4ZZ 0.09470 -0.18563 0.12801 -0.06362 -0.07471 172 4XY 0.06690 -0.08984 -0.06586 -0.06214 0.20180 173 4XZ 0.02395 0.00086 -0.10045 0.04648 -0.06397 174 4YZ -0.07713 0.01147 0.05902 -0.12311 0.19164 175 23 O 1S 0.01454 -0.01718 0.00039 0.01508 -0.01366 176 2S 0.05288 -0.18682 -0.11876 0.14228 -0.27650 177 2PX -0.21546 0.03755 -0.30934 0.07765 -0.05423 178 2PY -0.04586 0.02607 0.10725 -0.03033 -0.03007 179 2PZ 0.11005 0.11039 0.23811 -0.01675 0.19746 180 3S -0.51406 0.73221 0.07718 -0.51171 0.78450 181 3PX 0.58263 0.02950 0.94706 -0.49714 0.27142 182 3PY -0.07587 0.04239 -0.50135 0.07294 0.00197 183 3PZ -0.39591 -0.27901 -0.85978 0.18074 -0.64969 184 4XX 0.11641 -0.05521 0.01939 0.19800 -0.23070 185 4YY -0.11174 0.05173 0.03168 0.00868 -0.05932 186 4ZZ 0.09470 -0.18562 -0.12804 -0.06365 0.07473 187 4XY -0.06690 0.08985 -0.06585 0.06214 0.20179 188 4XZ 0.02396 0.00085 0.10045 0.04650 0.06397 189 4YZ 0.07712 -0.01147 0.05901 0.12312 0.19162 121 122 123 124 125 V V V V V Eigenvalues -- 1.43216 1.43859 1.47574 1.49204 1.52643 1 1 C 1S -0.00001 0.03417 0.00420 0.00385 0.00339 2 2S -0.06270 0.63102 -0.15347 0.09939 -0.13748 3 2PX -0.05032 -0.00830 0.08896 -0.03797 0.19639 4 2PY 0.06090 -0.00131 0.08890 -0.00144 0.07036 5 2PZ -0.08098 0.14290 -0.10379 0.05477 -0.03979 6 3S -0.34775 -4.16358 -0.46506 -1.29756 -0.48095 7 3PX -0.08190 1.46154 -0.15021 0.99531 -0.17975 8 3PY -0.49769 2.49421 -0.54019 -0.16351 -0.59549 9 3PZ 0.27492 -2.11257 0.14301 -1.13885 0.31865 10 4XX -0.21122 0.12336 0.07429 -0.14262 0.17051 11 4YY 0.00851 -0.00994 0.00941 0.01634 -0.07032 12 4ZZ 0.16876 -0.11283 -0.07827 0.12417 -0.07490 13 4XY -0.03953 0.01266 -0.09506 -0.01622 0.42478 14 4XZ -0.00128 -0.00785 0.00430 0.04651 -0.09818 15 4YZ 0.03352 0.02772 -0.17961 0.03404 0.26613 16 2 C 1S -0.00001 -0.03417 0.00420 -0.00385 0.00339 17 2S -0.06271 -0.63099 -0.15350 -0.09941 -0.13749 18 2PX -0.05032 0.00830 0.08895 0.03798 0.19639 19 2PY -0.06090 -0.00129 -0.08890 -0.00144 -0.07035 20 2PZ -0.08098 -0.14289 -0.10380 -0.05478 -0.03980 21 3S -0.34767 4.16361 -0.46482 1.29758 -0.48090 22 3PX -0.08194 -1.46155 -0.15025 -0.99532 -0.17978 23 3PY 0.49769 2.49403 0.54038 -0.16355 0.59551 24 3PZ 0.27496 2.11257 0.14311 1.13884 0.31868 25 4XX -0.21122 -0.12333 0.07426 0.14264 0.17053 26 4YY 0.00851 0.00994 0.00941 -0.01634 -0.07033 27 4ZZ 0.16876 0.11280 -0.07824 -0.12419 -0.07491 28 4XY 0.03953 0.01265 0.09506 -0.01620 -0.42477 29 4XZ -0.00128 0.00784 0.00430 -0.04651 -0.09818 30 4YZ -0.03352 0.02772 0.17961 0.03406 -0.26613 31 3 C 1S -0.00105 0.00080 -0.03063 0.03114 -0.00607 32 2S 0.01609 0.20889 -0.35372 0.64130 0.04268 33 2PX -0.05017 -0.19415 0.06784 -0.11831 0.00947 34 2PY 0.07909 0.06694 0.03651 0.04191 0.03941 35 2PZ -0.00582 0.09654 0.03729 -0.03274 0.02641 36 3S -0.02234 -2.13811 1.31295 -2.40617 -0.17816 37 3PX 0.27393 0.16746 0.12634 -0.12810 0.23793 38 3PY -0.49498 -1.88627 -0.33206 -0.76041 -0.54531 39 3PZ -0.38777 -0.68863 0.03791 0.54792 -0.83982 40 4XX 0.14740 0.03031 -0.03525 -0.20762 0.05016 41 4YY -0.04490 -0.07784 0.03737 0.07441 0.00714 42 4ZZ -0.11625 0.00333 -0.03374 0.14440 -0.06459 43 4XY -0.01048 0.03762 -0.25408 -0.00261 -0.01533 44 4XZ -0.10686 -0.01952 -0.18617 0.00470 -0.01447 45 4YZ 0.10255 0.14852 -0.08575 -0.09065 -0.06501 46 4 C 1S -0.00879 -0.01122 0.02547 0.00800 -0.01518 47 2S -0.07686 -0.10867 0.31942 0.14578 -0.17857 48 2PX 0.11642 0.14124 0.01979 0.00554 0.05065 49 2PY 0.01539 0.00984 0.01878 0.03492 -0.04836 50 2PZ -0.02683 -0.05500 0.00833 -0.10762 -0.09705 51 3S 0.60636 1.66094 -0.92378 0.13127 0.98781 52 3PX -0.27273 -0.75693 -0.15995 -0.29068 -0.03771 53 3PY -0.14028 0.05650 0.25708 0.06410 -0.19490 54 3PZ -0.15559 -0.73080 0.07791 -0.12537 -0.26384 55 4XX -0.08179 -0.09645 -0.16002 -0.01250 0.03916 56 4YY -0.02742 -0.00413 0.03119 0.01738 0.05394 57 4ZZ 0.09954 0.10362 0.15506 0.01152 -0.09872 58 4XY 0.16097 0.02405 0.28765 -0.04552 0.05580 59 4XZ 0.09811 0.01800 0.20215 -0.06226 0.13136 60 4YZ 0.04304 0.00993 0.06549 0.02536 0.19128 61 5 C 1S -0.00879 0.01122 0.02547 -0.00800 -0.01519 62 2S -0.07688 0.10867 0.31946 -0.14577 -0.17861 63 2PX 0.11642 -0.14124 0.01978 -0.00554 0.05065 64 2PY -0.01539 0.00985 -0.01878 0.03492 0.04837 65 2PZ -0.02683 0.05502 0.00833 0.10762 -0.09705 66 3S 0.60639 -1.66108 -0.92399 -0.13133 0.98794 67 3PX -0.27274 0.75695 -0.15995 0.29067 -0.03769 68 3PY 0.14029 0.05641 -0.25702 0.06407 0.19489 69 3PZ -0.15560 0.73083 0.07792 0.12538 -0.26383 70 4XX -0.08179 0.09647 -0.16001 0.01248 0.03917 71 4YY -0.02742 0.00413 0.03120 -0.01738 0.05395 72 4ZZ 0.09953 -0.10364 0.15504 -0.01151 -0.09874 73 4XY -0.16098 0.02409 -0.28766 -0.04554 -0.05580 74 4XZ 0.09811 -0.01802 0.20214 0.06227 0.13135 75 4YZ -0.04305 0.00994 -0.06549 0.02536 -0.19128 76 6 C 1S -0.00105 -0.00081 -0.03063 -0.03114 -0.00607 77 2S 0.01607 -0.20895 -0.35369 -0.64133 0.04268 78 2PX -0.05016 0.19416 0.06785 0.11832 0.00947 79 2PY -0.07909 0.06695 -0.03650 0.04191 -0.03941 80 2PZ -0.00582 -0.09654 0.03728 0.03274 0.02641 81 3S -0.02229 2.13832 1.31292 2.40624 -0.17817 82 3PX 0.27394 -0.16751 0.12634 0.12810 0.23791 83 3PY 0.49496 -1.88635 0.33190 -0.76037 0.54532 84 3PZ -0.38779 0.68867 0.03800 -0.54792 -0.83984 85 4XX 0.14740 -0.03034 -0.03528 0.20761 0.05016 86 4YY -0.04489 0.07783 0.03739 -0.07439 0.00714 87 4ZZ -0.11626 -0.00330 -0.03372 -0.14440 -0.06458 88 4XY 0.01049 0.03760 0.25409 -0.00257 0.01533 89 4XZ -0.10686 0.01954 -0.18616 -0.00472 -0.01447 90 4YZ -0.10255 0.14854 0.08577 -0.09063 0.06501 91 7 H 1S 0.17029 -0.44246 0.09239 -0.12973 0.09591 92 2S 0.18611 -0.85204 0.23708 -0.35047 0.29639 93 8 H 1S 0.17029 0.44243 0.09241 0.12973 0.09591 94 2S 0.18612 0.85200 0.23712 0.35047 0.29640 95 9 H 1S -0.06463 -0.25052 -0.19621 0.00856 -0.13871 96 2S -0.22006 -0.43192 -0.27313 -0.00668 -0.19653 97 10 H 1S -0.01751 -0.18242 0.06174 0.03248 -0.07637 98 2S -0.28476 -0.32812 0.15936 -0.17308 -0.09894 99 11 H 1S -0.01752 0.18244 0.06176 -0.03247 -0.07638 100 2S -0.28475 0.32811 0.15936 0.17309 -0.09894 101 12 H 1S -0.06462 0.25051 -0.19617 -0.00857 -0.13871 102 2S -0.22006 0.43191 -0.27307 0.00666 -0.19652 103 13 H 1S -0.01882 -0.13090 0.14751 -0.17141 -0.01191 104 2S 0.07832 -0.20109 0.12148 -0.03231 -0.03455 105 14 H 1S -0.01882 0.13091 0.14749 0.17141 -0.01190 106 2S 0.07831 0.20110 0.12147 0.03231 -0.03453 107 15 C 1S 0.00074 0.00000 -0.00743 0.00000 -0.00682 108 2S 0.01641 -0.00003 -0.12546 0.00000 -0.07194 109 2PX 0.00489 0.00000 -0.01570 0.00000 0.06207 110 2PY 0.00000 -0.03471 -0.00001 0.22520 0.00000 111 2PZ 0.03080 0.00000 -0.04164 0.00000 -0.01870 112 3S 0.03832 0.00008 0.46535 -0.00001 0.66537 113 3PX -0.12276 0.00002 0.11290 0.00000 -0.01759 114 3PY 0.00000 -0.28233 -0.00006 0.72629 0.00001 115 3PZ -0.34178 0.00000 0.18413 0.00001 -0.18299 116 4XX -0.09716 -0.00001 0.02629 0.00000 -0.03333 117 4YY 0.02021 0.00000 0.02672 0.00000 0.04152 118 4ZZ 0.08016 0.00001 -0.04829 0.00000 -0.00091 119 4XY 0.00000 0.21214 -0.00001 0.06649 0.00000 120 4XZ -0.03037 0.00000 0.04432 0.00000 -0.03235 121 4YZ 0.00000 0.27138 0.00001 -0.09125 0.00000 122 16 C 1S -0.00381 -0.01658 0.00716 -0.02111 -0.00047 123 2S 0.00438 0.08841 0.14033 -0.09077 0.17227 124 2PX -0.01506 0.10459 0.06916 0.00590 0.07966 125 2PY -0.03598 -0.01776 0.00619 0.03433 -0.05614 126 2PZ 0.01500 0.08287 0.02820 -0.02017 0.02918 127 3S -0.11235 0.18873 -0.34451 -0.74560 -0.30801 128 3PX 0.06452 -0.01967 -0.08192 0.98318 -0.21223 129 3PY 0.12168 0.28092 0.09949 -0.90156 0.22885 130 3PZ -0.07460 -0.57169 -0.02739 -0.70278 0.03650 131 4XX 0.21504 -0.10723 -0.09947 -0.02322 -0.07298 132 4YY -0.00055 -0.00400 0.03982 -0.00395 0.03298 133 4ZZ -0.22867 0.06493 0.04314 -0.06358 0.00139 134 4XY 0.14664 0.01617 -0.06083 -0.00409 0.02555 135 4XZ 0.02636 -0.04682 -0.02052 -0.01962 -0.01797 136 4YZ 0.19402 -0.04292 -0.07853 -0.04871 0.01807 137 17 C 1S -0.00381 0.01659 0.00716 0.02111 -0.00047 138 2S 0.00440 -0.08834 0.14031 0.09077 0.17227 139 2PX -0.01506 -0.10457 0.06915 -0.00589 0.07966 140 2PY 0.03598 -0.01777 -0.00620 0.03432 0.05614 141 2PZ 0.01501 -0.08287 0.02819 0.02018 0.02918 142 3S -0.11242 -0.18890 -0.34461 0.74560 -0.30798 143 3PX 0.06451 0.01969 -0.08187 -0.98319 -0.21225 144 3PY -0.12165 0.28088 -0.09932 -0.90157 -0.22890 145 3PZ -0.07461 0.57163 -0.02742 0.70274 0.03651 146 4XX 0.21505 0.10725 -0.09946 0.02322 -0.07298 147 4YY -0.00054 0.00401 0.03981 0.00396 0.03298 148 4ZZ -0.22868 -0.06496 0.04313 0.06357 0.00139 149 4XY -0.14664 0.01617 0.06083 -0.00407 -0.02555 150 4XZ 0.02636 0.04683 -0.02052 0.01961 -0.01797 151 4YZ -0.19401 -0.04295 0.07854 -0.04870 -0.01807 152 18 H 1S 0.01683 -0.00001 -0.03690 0.00000 -0.03040 153 2S 0.19131 -0.00001 -0.23559 0.00000 -0.00642 154 19 H 1S -0.01361 -0.10279 0.05906 -0.24372 0.04611 155 2S 0.03313 -0.14240 0.06975 -0.38018 0.11084 156 20 H 1S -0.01360 0.10280 0.05904 0.24372 0.04612 157 2S 0.03313 0.14240 0.06970 0.38017 0.11086 158 21 H 1S -0.02911 0.00000 -0.03792 0.00000 -0.03857 159 2S -0.02217 0.00000 -0.00250 0.00000 -0.13440 160 22 O 1S -0.00041 -0.00261 -0.00128 0.05076 0.01116 161 2S -0.04568 -0.00017 0.00734 0.82335 0.14869 162 2PX -0.08889 0.12793 -0.00098 -0.02276 -0.03664 163 2PY -0.02575 0.04643 -0.00153 -0.19768 -0.05599 164 2PZ -0.02729 -0.03039 0.04203 0.07311 -0.00271 165 3S 0.09518 -0.03207 -0.00502 -2.36692 -0.47554 166 3PX 0.27613 -0.39580 0.05288 0.04331 0.15550 167 3PY 0.09978 -0.14674 0.02817 0.79107 0.27397 168 3PZ 0.13907 0.08095 -0.17957 -0.16047 -0.03703 169 4XX -0.22358 -0.16265 0.08903 0.13917 0.05500 170 4YY 0.02321 -0.01324 -0.04501 0.39742 0.04832 171 4ZZ 0.15857 0.16968 -0.04356 0.10224 0.01049 172 4XY 0.08474 -0.11692 -0.01308 -0.03639 0.01813 173 4XZ -0.08442 -0.00768 0.03146 -0.15584 -0.03347 174 4YZ 0.12886 -0.05709 -0.06725 -0.03014 -0.01965 175 23 O 1S -0.00041 0.00261 -0.00128 -0.05076 0.01115 176 2S -0.04569 0.00014 0.00739 -0.82335 0.14867 177 2PX -0.08889 -0.12794 -0.00099 0.02277 -0.03664 178 2PY 0.02575 0.04643 0.00155 -0.19768 0.05599 179 2PZ -0.02729 0.03039 0.04205 -0.07312 -0.00271 180 3S 0.09518 0.03216 -0.00518 2.36693 -0.47548 181 3PX 0.27615 0.39588 0.05294 -0.04333 0.15549 182 3PY -0.09978 -0.14675 -0.02825 0.79108 -0.27395 183 3PZ 0.13907 -0.08099 -0.17963 0.16050 -0.03703 184 4XX -0.22357 0.16262 0.08905 -0.13917 0.05500 185 4YY 0.02322 0.01323 -0.04498 -0.39742 0.04831 186 4ZZ 0.15856 -0.16967 -0.04356 -0.10224 0.01049 187 4XY -0.08475 -0.11693 0.01309 -0.03639 -0.01813 188 4XZ -0.08441 0.00768 0.03145 0.15584 -0.03347 189 4YZ -0.12887 -0.05710 0.06726 -0.03015 0.01965 126 127 128 129 130 V V V V V Eigenvalues -- 1.58528 1.63998 1.66109 1.72044 1.72342 1 1 C 1S 0.00886 -0.01621 0.01320 0.00184 0.00714 2 2S 0.08473 -0.44138 0.29788 0.04326 0.01872 3 2PX 0.01933 0.14537 -0.08128 -0.00712 0.00718 4 2PY 0.03674 0.02994 0.00642 -0.10105 -0.02985 5 2PZ -0.01438 -0.03086 0.01758 -0.01887 -0.04825 6 3S -0.58718 1.82250 -1.23501 0.06754 -0.30127 7 3PX 0.22972 -1.09009 0.48727 0.06877 0.19670 8 3PY -0.24825 -0.85202 0.67263 0.29169 0.08583 9 3PZ -0.11421 1.25655 -0.61092 -0.08955 -0.08330 10 4XX -0.04498 0.24390 -0.08641 -0.01787 -0.17756 11 4YY 0.03286 -0.01242 -0.00087 -0.09011 -0.00009 12 4ZZ 0.04307 -0.20702 0.08514 0.12066 0.20232 13 4XY 0.07913 0.01587 0.01732 -0.12193 -0.03157 14 4XZ -0.03924 0.06683 -0.03824 0.04715 0.02533 15 4YZ -0.04071 -0.09576 0.05272 -0.01508 -0.00585 16 2 C 1S 0.00886 0.01621 -0.01320 0.00184 0.00714 17 2S 0.08475 0.44137 -0.29788 0.04324 0.01871 18 2PX 0.01933 -0.14537 0.08128 -0.00711 0.00718 19 2PY -0.03675 0.02994 0.00642 0.10105 0.02985 20 2PZ -0.01438 0.03086 -0.01758 -0.01887 -0.04825 21 3S -0.58738 -1.82250 1.23501 0.06763 -0.30124 22 3PX 0.22974 1.09012 -0.48730 0.06872 0.19669 23 3PY 0.24811 -0.85198 0.67262 -0.29163 -0.08580 24 3PZ -0.11427 -1.25657 0.61094 -0.08950 -0.08328 25 4XX -0.04496 -0.24390 0.08642 -0.01787 -0.17756 26 4YY 0.03285 0.01242 0.00087 -0.09011 -0.00009 27 4ZZ 0.04305 0.20702 -0.08515 0.12066 0.20231 28 4XY -0.07914 0.01587 0.01732 0.12192 0.03157 29 4XZ -0.03924 -0.06683 0.03824 0.04717 0.02532 30 4YZ 0.04071 -0.09576 0.05273 0.01507 0.00584 31 3 C 1S -0.06584 0.00884 -0.02091 -0.00382 -0.00652 32 2S -0.86153 0.21270 -0.24329 0.00521 -0.14049 33 2PX 0.12198 -0.04607 0.02965 -0.01773 -0.00288 34 2PY 0.03384 0.05600 -0.01739 0.01719 -0.04932 35 2PZ 0.06053 -0.11513 0.03252 0.09025 -0.03249 36 3S 2.89488 0.70133 0.02473 0.21572 0.44583 37 3PX -0.56275 0.18121 -0.19376 -0.07355 -0.04803 38 3PY -0.24639 0.40118 -0.29767 0.31383 0.55911 39 3PZ 0.09298 0.11813 -0.17429 0.12310 -0.11917 40 4XX 0.01461 0.21301 -0.09804 0.05688 0.09118 41 4YY -0.05879 -0.01233 -0.03550 -0.02408 -0.08402 42 4ZZ -0.01467 -0.20035 0.09834 -0.01146 0.00688 43 4XY 0.13103 0.18235 -0.08491 0.04370 0.02055 44 4XZ 0.08626 -0.04657 -0.01105 0.09271 0.04577 45 4YZ 0.10410 0.21157 -0.09625 -0.16251 0.01259 46 4 C 1S 0.02592 0.00193 -0.01447 0.01472 0.00464 47 2S 0.33627 0.04593 -0.26296 0.19211 0.08233 48 2PX -0.02975 -0.06847 0.04869 -0.04067 0.00008 49 2PY -0.00504 0.00563 0.01055 -0.07030 0.04940 50 2PZ 0.05335 -0.03426 0.02593 -0.06407 -0.05689 51 3S -1.44986 -0.34879 0.94785 -0.58039 -0.13822 52 3PX -0.02112 0.41019 -0.21808 0.11526 -0.01476 53 3PY 0.48955 -0.20952 0.30305 0.12887 -0.17275 54 3PZ 0.32293 0.20118 -0.00169 0.24969 0.19542 55 4XX -0.03707 0.00068 0.00060 -0.04763 0.08674 56 4YY 0.01478 -0.02181 0.01095 0.20169 0.05060 57 4ZZ 0.03336 0.01292 -0.01290 -0.13331 -0.14645 58 4XY -0.00069 0.05656 -0.00547 0.04772 -0.05462 59 4XZ -0.12914 -0.07514 0.04112 0.07517 0.04478 60 4YZ -0.21142 -0.06635 0.06013 -0.10685 0.20505 61 5 C 1S 0.02591 -0.00193 0.01447 0.01471 0.00464 62 2S 0.33625 -0.04592 0.26293 0.19198 0.08240 63 2PX -0.02975 0.06847 -0.04868 -0.04067 0.00008 64 2PY 0.00504 0.00562 0.01055 0.07030 -0.04940 65 2PZ 0.05334 0.03425 -0.02593 -0.06406 -0.05690 66 3S -1.44969 0.34875 -0.94778 -0.57994 -0.13848 67 3PX -0.02106 -0.41021 0.21807 0.11526 -0.01477 68 3PY -0.48957 -0.20952 0.30306 -0.12896 0.17279 69 3PZ 0.32287 -0.20116 0.00167 0.24963 0.19545 70 4XX -0.03708 -0.00068 -0.00061 -0.04763 0.08674 71 4YY 0.01476 0.02181 -0.01096 0.20169 0.05061 72 4ZZ 0.03338 -0.01293 0.01291 -0.13331 -0.14647 73 4XY 0.00069 0.05656 -0.00547 -0.04772 0.05463 74 4XZ -0.12914 0.07514 -0.04111 0.07516 0.04478 75 4YZ 0.21142 -0.06634 0.06012 0.10686 -0.20504 76 6 C 1S -0.06584 -0.00884 0.02091 -0.00382 -0.00652 77 2S -0.86151 -0.21273 0.24331 0.00524 -0.14048 78 2PX 0.12197 0.04607 -0.02965 -0.01772 -0.00288 79 2PY -0.03386 0.05601 -0.01739 -0.01719 0.04932 80 2PZ 0.06053 0.11513 -0.03253 0.09023 -0.03248 81 3S 2.89478 -0.70126 -0.02481 0.21560 0.44589 82 3PX -0.56276 -0.18123 0.19379 -0.07350 -0.04803 83 3PY 0.24653 0.40115 -0.29766 -0.31384 -0.55913 84 3PZ 0.09291 -0.11811 0.17428 0.12306 -0.11916 85 4XX 0.01463 -0.21302 0.09804 0.05688 0.09119 86 4YY -0.05880 0.01233 0.03551 -0.02409 -0.08402 87 4ZZ -0.01468 0.20036 -0.09835 -0.01145 0.00687 88 4XY -0.13105 0.18233 -0.08490 -0.04372 -0.02055 89 4XZ 0.08624 0.04658 0.01104 0.09270 0.04578 90 4YZ -0.10412 0.21156 -0.09624 0.16251 -0.01260 91 7 H 1S -0.02223 0.27174 -0.14169 -0.03433 -0.03769 92 2S 0.01966 0.52921 -0.24182 -0.09418 -0.04078 93 8 H 1S -0.02224 -0.27174 0.14169 -0.03431 -0.03768 94 2S 0.01963 -0.52922 0.24182 -0.09415 -0.04077 95 9 H 1S -0.40051 -0.01176 -0.04643 0.09560 0.09118 96 2S -0.42918 0.12549 -0.12487 0.08900 0.24702 97 10 H 1S 0.10231 0.11406 -0.05491 0.01371 0.05444 98 2S 0.14279 0.01863 -0.21782 0.17223 -0.08255 99 11 H 1S 0.10230 -0.11406 0.05491 0.01368 0.05445 100 2S 0.14280 -0.01864 0.21781 0.17220 -0.08253 101 12 H 1S -0.40053 0.01175 0.04643 0.09561 0.09117 102 2S -0.42922 -0.12549 0.12487 0.08901 0.24703 103 13 H 1S 0.13093 0.04104 0.04351 0.00969 0.03389 104 2S 0.13303 0.18519 -0.02278 -0.03786 -0.05565 105 14 H 1S 0.13095 -0.04104 -0.04351 0.00972 0.03387 106 2S 0.13304 -0.18519 0.02278 -0.03783 -0.05568 107 15 C 1S -0.04133 0.00000 0.00000 -0.05852 -0.02159 108 2S -0.49554 -0.00001 0.00002 -0.84571 -0.20155 109 2PX -0.01200 0.00000 0.00000 0.02750 0.06446 110 2PY 0.00000 0.01598 -0.08179 0.00000 0.00000 111 2PZ -0.09205 0.00000 0.00000 -0.07489 -0.13665 112 3S 2.24362 0.00003 -0.00010 3.63391 1.58487 113 3PX 0.26799 0.00000 -0.00001 0.60304 0.20488 114 3PY 0.00002 -0.03168 -0.23345 0.00000 0.00000 115 3PZ -0.11178 -0.00001 0.00000 -0.76106 0.11401 116 4XX 0.02133 0.00000 0.00000 -0.00216 -0.11158 117 4YY 0.05037 0.00000 -0.00001 0.14219 0.23059 118 4ZZ -0.03712 0.00000 0.00001 -0.11842 -0.09432 119 4XY 0.00000 0.03202 0.10553 0.00000 0.00000 120 4XZ 0.01875 0.00000 0.00000 -0.19709 0.22756 121 4YZ 0.00000 0.04270 0.13029 0.00000 0.00000 122 16 C 1S 0.04040 -0.01150 0.02963 0.00018 0.02805 123 2S 0.60432 -0.17805 0.43703 -0.06911 0.23488 124 2PX 0.05269 -0.02997 0.15246 -0.05032 0.06237 125 2PY -0.06550 -0.02315 -0.05149 -0.06834 -0.02227 126 2PZ 0.00404 0.03322 0.03687 -0.00772 0.05295 127 3S -1.95166 0.16078 -1.51086 0.29262 -1.27213 128 3PX 0.02018 0.73252 -0.44874 -0.16596 0.11045 129 3PY 0.80080 0.35682 0.20464 0.04644 0.70113 130 3PZ -0.31299 -0.42145 0.50460 0.12472 0.00394 131 4XX -0.13149 0.09418 0.25046 0.00312 0.10740 132 4YY 0.01155 -0.00610 0.00871 0.02803 -0.02770 133 4ZZ 0.14561 -0.11802 -0.23968 -0.03017 -0.02998 134 4XY 0.13908 -0.06848 -0.04770 -0.04361 -0.33918 135 4XZ 0.05063 0.04514 0.06146 -0.05878 0.19676 136 4YZ 0.14716 -0.01660 0.15473 0.04063 -0.13441 137 17 C 1S 0.04040 0.01150 -0.02963 0.00018 0.02805 138 2S 0.60430 0.17806 -0.43706 -0.06912 0.23487 139 2PX 0.05268 0.02997 -0.15247 -0.05032 0.06236 140 2PY 0.06550 -0.02315 -0.05149 0.06833 0.02228 141 2PZ 0.00404 -0.03322 -0.03687 -0.00771 0.05295 142 3S -1.95154 -0.16080 1.51098 0.29262 -1.27209 143 3PX 0.02019 -0.73254 0.44874 -0.16589 0.11045 144 3PY -0.80088 0.35681 0.20471 -0.04638 -0.70115 145 3PZ -0.31303 0.42146 -0.50459 0.12463 0.00392 146 4XX -0.13149 -0.09419 -0.25046 0.00312 0.10738 147 4YY 0.01156 0.00610 -0.00872 0.02803 -0.02771 148 4ZZ 0.14561 0.11803 0.23968 -0.03017 -0.02995 149 4XY -0.13908 -0.06848 -0.04772 0.04360 0.33918 150 4XZ 0.05062 -0.04514 -0.06147 -0.05878 0.19677 151 4YZ -0.14716 -0.01661 0.15473 -0.04062 0.13442 152 18 H 1S -0.18731 0.00000 0.00001 -0.12719 -0.17670 153 2S -0.33601 0.00000 0.00001 -0.33335 -0.27193 154 19 H 1S 0.16771 -0.00449 0.34683 -0.04543 0.33520 155 2S 0.33035 -0.10389 0.44362 0.02441 0.31088 156 20 H 1S 0.16770 0.00449 -0.34685 -0.04545 0.33519 157 2S 0.33035 0.10389 -0.44365 0.02435 0.31088 158 21 H 1S -0.23760 0.00000 0.00001 -0.28561 -0.09655 159 2S -0.17542 0.00000 0.00001 -0.31612 -0.10127 160 22 O 1S -0.00354 0.02179 0.00014 0.05704 -0.00369 161 2S -0.06707 0.45283 0.05938 0.82005 0.00777 162 2PX -0.13682 0.07074 0.01647 -0.03101 -0.04625 163 2PY -0.08831 -0.05005 -0.02748 -0.07874 -0.15117 164 2PZ 0.12578 -0.05571 -0.10640 -0.02403 0.07616 165 3S 0.23670 -1.24093 -0.04480 -2.75024 0.09781 166 3PX 0.73378 -0.35988 -0.25316 0.19882 0.55349 167 3PY 0.42532 0.15276 -0.05211 0.89738 0.48109 168 3PZ -0.60158 0.22892 0.24514 -0.12415 -0.58419 169 4XX 0.00873 0.20370 0.27262 0.14545 0.00249 170 4YY -0.08097 0.11497 -0.10911 0.38246 -0.10310 171 4ZZ 0.02453 -0.01764 -0.14055 0.03653 0.11385 172 4XY -0.01821 -0.13347 -0.15324 -0.04136 0.14771 173 4XZ 0.05818 -0.10994 0.01004 -0.24426 0.08209 174 4YZ -0.08771 -0.15785 -0.29326 -0.07029 -0.05584 175 23 O 1S -0.00354 -0.02179 -0.00014 0.05704 -0.00369 176 2S -0.06708 -0.45282 -0.05939 0.82006 0.00776 177 2PX -0.13681 -0.07074 -0.01646 -0.03101 -0.04625 178 2PY 0.08830 -0.05005 -0.02749 0.07874 0.15117 179 2PZ 0.12578 0.05570 0.10639 -0.02403 0.07617 180 3S 0.23674 1.24089 0.04483 -2.75030 0.09783 181 3PX 0.73377 0.35989 0.25311 0.19883 0.55349 182 3PY -0.42527 0.15275 -0.05205 -0.89739 -0.48106 183 3PZ -0.60158 -0.22892 -0.24510 -0.12418 -0.58421 184 4XX 0.00872 -0.20369 -0.27262 0.14544 0.00248 185 4YY -0.08098 -0.11496 0.10912 0.38247 -0.10310 186 4ZZ 0.02453 0.01763 0.14053 0.03654 0.11387 187 4XY 0.01821 -0.13347 -0.15324 0.04137 -0.14772 188 4XZ 0.05818 0.10994 -0.01004 -0.24425 0.08208 189 4YZ 0.08770 -0.15785 -0.29327 0.07029 0.05583 131 132 133 134 135 V V V V V Eigenvalues -- 1.75846 1.77089 1.79419 1.86001 1.87778 1 1 C 1S -0.01122 0.00162 0.00062 0.01333 0.01748 2 2S -0.12805 -0.04613 0.03932 -0.04262 0.13383 3 2PX -0.01441 -0.02879 -0.06884 0.03670 -0.04031 4 2PY 0.00469 0.10435 0.07958 0.10488 -0.01535 5 2PZ 0.02006 0.05755 0.12895 -0.06129 0.05688 6 3S 0.66167 0.03724 0.15221 -1.12922 -0.50172 7 3PX -0.42162 0.01479 -0.38261 0.36610 0.20951 8 3PY -0.18881 -0.12016 -0.49077 0.44238 -0.04665 9 3PZ 0.38533 -0.05084 0.43230 -0.50676 -0.14973 10 4XX 0.00190 -0.02478 0.17806 -0.03263 0.00841 11 4YY 0.01881 0.17841 -0.02462 -0.12607 0.01561 12 4ZZ 0.02474 -0.15696 -0.15857 0.13246 0.04046 13 4XY 0.03992 0.08695 0.00656 0.05161 0.00706 14 4XZ 0.11769 0.10987 0.22740 -0.01496 0.28991 15 4YZ 0.01848 -0.01899 0.20113 0.00361 0.00608 16 2 C 1S 0.01122 0.00162 0.00062 -0.01333 0.01748 17 2S 0.12805 -0.04612 0.03932 0.04266 0.13383 18 2PX 0.01441 -0.02879 -0.06884 -0.03671 -0.04031 19 2PY 0.00470 -0.10434 -0.07959 0.10487 0.01535 20 2PZ -0.02006 0.05754 0.12895 0.06130 0.05687 21 3S -0.66162 0.03723 0.15209 1.12916 -0.50180 22 3PX 0.42156 0.01481 -0.38260 -0.36612 0.20954 23 3PY -0.18875 0.12019 0.49070 0.44240 0.04667 24 3PZ -0.38526 -0.05085 0.43224 0.50678 -0.14974 25 4XX -0.00187 -0.02478 0.17806 0.03266 0.00841 26 4YY -0.01885 0.17841 -0.02462 0.12606 0.01561 27 4ZZ -0.02473 -0.15696 -0.15856 -0.13246 0.04048 28 4XY 0.03994 -0.08695 -0.00657 0.05160 -0.00707 29 4XZ -0.11768 0.10986 0.22742 0.01501 0.28991 30 4YZ 0.01846 0.01901 -0.20112 0.00361 -0.00607 31 3 C 1S 0.02082 0.00894 0.01304 0.01184 -0.00028 32 2S 0.21958 -0.15005 0.42513 -0.02950 -0.08272 33 2PX 0.01558 0.10630 -0.05180 0.04972 0.09431 34 2PY -0.08119 -0.01621 0.17803 -0.05539 0.03126 35 2PZ -0.16310 -0.16017 0.07982 -0.02016 -0.01123 36 3S -1.44399 0.16614 -1.04147 -0.80917 0.31527 37 3PX 0.50930 -0.19359 -0.05045 -0.53074 -0.05466 38 3PY -0.00293 0.12655 -1.24016 -0.64379 0.40447 39 3PZ -0.64814 0.22900 -0.24884 -0.03740 -0.19190 40 4XX -0.03787 0.00111 0.03392 -0.00836 0.15835 41 4YY 0.00262 -0.04577 -0.07296 0.12207 -0.12114 42 4ZZ -0.01898 0.08849 0.02362 -0.11678 0.04441 43 4XY 0.13095 -0.12434 -0.15861 -0.36435 -0.14600 44 4XZ -0.14281 -0.03970 0.01955 -0.33686 0.15209 45 4YZ -0.03604 0.24408 -0.06020 0.09697 -0.01491 46 4 C 1S -0.12518 -0.00035 -0.00845 -0.00077 -0.00965 47 2S -1.56386 0.14137 -0.14153 -0.27136 -0.08512 48 2PX 0.02244 -0.05760 -0.02208 -0.12188 -0.03193 49 2PY 0.06200 0.22715 -0.09262 -0.00464 0.05456 50 2PZ 0.12571 0.09403 0.00629 0.05122 0.02297 51 3S 5.60547 -0.22401 0.61737 0.87261 0.29343 52 3PX -0.03106 0.14696 0.25625 1.41135 0.02930 53 3PY 0.91723 -0.24900 0.20174 0.29279 -0.22995 54 3PZ -0.81734 0.02756 -0.31796 -0.05390 0.08172 55 4XX -0.02093 0.10454 -0.10913 -0.23055 0.11893 56 4YY 0.02764 -0.30977 -0.03430 -0.03631 -0.07202 57 4ZZ -0.05480 0.19219 0.16301 0.28343 -0.03571 58 4XY 0.00580 -0.11447 0.01442 0.26258 0.02206 59 4XZ 0.08598 -0.09075 -0.10704 -0.01466 0.06954 60 4YZ 0.13250 0.16739 -0.36424 -0.03480 0.02339 61 5 C 1S 0.12518 -0.00034 -0.00846 0.00077 -0.00965 62 2S 1.56382 0.14158 -0.14170 0.27133 -0.08519 63 2PX -0.02243 -0.05760 -0.02209 0.12187 -0.03194 64 2PY 0.06206 -0.22714 0.09261 -0.00463 -0.05456 65 2PZ -0.12572 0.09400 0.00631 -0.05122 0.02298 66 3S -5.60537 -0.22475 0.61805 -0.87251 0.29365 67 3PX 0.03110 0.14692 0.25640 -1.41134 0.02941 68 3PY 0.91712 0.24911 -0.20184 0.29279 0.22989 69 3PZ 0.81732 0.02769 -0.31806 0.05389 0.08171 70 4XX 0.02090 0.10455 -0.10916 0.23054 0.11891 71 4YY -0.02760 -0.30976 -0.03432 0.03631 -0.07202 72 4ZZ 0.05480 0.19218 0.16305 -0.28342 -0.03569 73 4XY 0.00580 0.11448 -0.01444 0.26256 -0.02209 74 4XZ -0.08597 -0.09076 -0.10702 0.01466 0.06954 75 4YZ 0.13257 -0.16739 0.36421 -0.03475 -0.02339 76 6 C 1S -0.02082 0.00894 0.01304 -0.01184 -0.00028 77 2S -0.21951 -0.15008 0.42516 0.02953 -0.08270 78 2PX -0.01559 0.10630 -0.05179 -0.04972 0.09431 79 2PY -0.08123 0.01621 -0.17802 -0.05541 -0.03125 80 2PZ 0.16313 -0.16016 0.07980 0.02017 -0.01124 81 3S 1.44383 0.16637 -1.04178 0.80910 0.31513 82 3PX -0.50929 -0.19365 -0.05048 0.53077 -0.05468 83 3PY -0.00276 -0.12659 1.24026 -0.64372 -0.40445 84 3PZ 0.64807 0.22910 -0.24890 0.03733 -0.19190 85 4XX 0.03788 0.00111 0.03391 0.00839 0.15834 86 4YY -0.00262 -0.04575 -0.07295 -0.12210 -0.12112 87 4ZZ 0.01896 0.08848 0.02361 0.11678 0.04439 88 4XY 0.13095 0.12435 0.15863 -0.36434 0.14603 89 4XZ 0.14283 -0.03967 0.01951 0.33687 0.15206 90 4YZ -0.03599 -0.24409 0.06020 0.09698 0.01490 91 7 H 1S 0.12091 0.05680 0.39239 -0.13904 0.12568 92 2S 0.17667 0.00012 0.22489 -0.18609 -0.04266 93 8 H 1S -0.12088 0.05680 0.39238 0.13907 0.12568 94 2S -0.17664 0.00012 0.22487 0.18611 -0.04266 95 9 H 1S 0.13465 0.06207 -0.09441 -0.13473 0.14741 96 2S 0.17786 -0.00720 -0.38266 -0.15265 0.13365 97 10 H 1S -0.43472 0.00263 -0.03722 0.28158 -0.05731 98 2S -0.33042 0.06395 0.15434 0.34541 -0.13424 99 11 H 1S 0.43472 0.00267 -0.03724 -0.28159 -0.05730 100 2S 0.33044 0.06397 0.15434 -0.34542 -0.13422 101 12 H 1S -0.13468 0.06205 -0.09441 0.13472 0.14740 102 2S -0.17792 -0.00722 -0.38266 0.15263 0.13367 103 13 H 1S 0.40232 -0.04097 -0.08463 0.20800 -0.09655 104 2S 0.24804 -0.03879 -0.03969 0.39226 -0.06897 105 14 H 1S -0.40232 -0.04103 -0.08457 -0.20801 -0.09652 106 2S -0.24803 -0.03883 -0.03962 -0.39226 -0.06893 107 15 C 1S 0.00000 -0.02977 0.01145 0.00000 -0.03005 108 2S 0.00000 -0.45860 0.14942 0.00001 -0.28444 109 2PX 0.00000 -0.02921 0.09250 0.00000 -0.07300 110 2PY 0.10020 0.00001 -0.00001 -0.01888 0.00001 111 2PZ 0.00000 -0.06272 -0.04585 0.00000 0.02806 112 3S 0.00000 1.87808 0.00929 -0.00001 0.93760 113 3PX -0.00001 0.31849 -0.12471 0.00002 0.72089 114 3PY 0.19499 0.00002 -0.00002 0.01328 0.00002 115 3PZ 0.00000 -0.47300 0.13223 0.00002 0.04955 116 4XX -0.00001 0.03865 -0.15263 0.00000 0.15365 117 4YY 0.00000 0.15509 0.19580 -0.00001 -0.39607 118 4ZZ 0.00000 -0.17946 -0.04506 0.00002 0.27176 119 4XY 0.09818 0.00001 -0.00001 -0.03609 0.00001 120 4XZ 0.00000 -0.05058 0.12548 0.00000 -0.20782 121 4YZ 0.00613 0.00000 0.00001 -0.06809 -0.00001 122 16 C 1S -0.00437 0.00093 -0.01067 -0.00722 0.01815 123 2S 0.02511 -0.01285 -0.11721 -0.15411 0.34217 124 2PX 0.00483 0.01376 0.05846 -0.03456 -0.09222 125 2PY 0.10176 -0.04662 -0.07241 -0.00402 -0.02088 126 2PZ 0.09578 -0.03145 -0.02689 -0.01810 0.19958 127 3S -0.55930 0.02086 -0.05569 0.62452 -0.43662 128 3PX 0.66876 -0.11324 -0.00063 -0.02063 0.01801 129 3PY -0.83866 0.08769 0.39894 0.30303 0.01130 130 3PZ -0.98658 0.07774 0.28727 0.09409 -0.18464 131 4XX 0.00618 0.01901 0.05973 -0.01990 -0.08684 132 4YY 0.01853 0.02050 -0.03286 0.00551 0.11501 133 4ZZ -0.08150 -0.05424 -0.03538 0.03316 -0.06607 134 4XY 0.10619 -0.07382 -0.16392 -0.04421 0.20449 135 4XZ -0.09135 -0.07370 0.11056 -0.00128 0.13709 136 4YZ -0.02601 0.05056 0.00499 -0.04266 -0.26344 137 17 C 1S 0.00437 0.00093 -0.01067 0.00722 0.01815 138 2S -0.02511 -0.01285 -0.11722 0.15414 0.34213 139 2PX -0.00482 0.01376 0.05846 0.03455 -0.09223 140 2PY 0.10177 0.04663 0.07240 -0.00402 0.02091 141 2PZ -0.09578 -0.03146 -0.02688 0.01812 0.19958 142 3S 0.55932 0.02092 -0.05568 -0.62456 -0.43657 143 3PX -0.66877 -0.11331 -0.00057 0.02064 0.01798 144 3PY -0.83871 -0.08778 -0.39890 0.30302 -0.01119 145 3PZ 0.98657 0.07785 0.28718 -0.09409 -0.18471 146 4XX -0.00618 0.01902 0.05972 0.01989 -0.08683 147 4YY -0.01853 0.02050 -0.03286 -0.00551 0.11499 148 4ZZ 0.08149 -0.05423 -0.03538 -0.03316 -0.06605 149 4XY 0.10618 0.07384 0.16390 -0.04422 -0.20444 150 4XZ 0.09135 -0.07369 0.11056 0.00131 0.13707 151 4YZ -0.02602 -0.05056 -0.00498 -0.04264 0.26344 152 18 H 1S 0.00000 -0.00297 0.01391 -0.00002 -0.36271 153 2S -0.00001 -0.09477 -0.09023 0.00000 -0.08649 154 19 H 1S -0.17723 -0.04771 0.09553 -0.00912 0.26078 155 2S -0.60104 0.10193 0.21687 0.01299 -0.08188 156 20 H 1S 0.17723 -0.04769 0.09551 0.00913 0.26072 157 2S 0.60104 0.10200 0.21681 -0.01298 -0.08193 158 21 H 1S 0.00000 -0.20707 0.07901 0.00001 -0.03286 159 2S -0.00001 -0.14011 -0.06805 0.00001 0.20155 160 22 O 1S 0.01604 0.02680 0.00078 -0.00054 0.00939 161 2S 0.12748 0.43375 0.07309 0.01534 0.12940 162 2PX -0.01721 -0.01194 0.05325 0.01836 -0.00223 163 2PY 0.04211 -0.02617 -0.06274 -0.00848 -0.03895 164 2PZ -0.02562 -0.01220 0.00891 0.00864 0.05845 165 3S -0.74921 -1.41960 -0.10831 0.04147 -0.41761 166 3PX -0.01999 0.14210 0.02438 0.00799 -0.09691 167 3PY 0.13126 0.46518 0.19556 -0.00534 0.16529 168 3PZ -0.02621 -0.09727 -0.16000 -0.01421 -0.09796 169 4XX -0.00925 0.05156 -0.01732 -0.02088 0.00726 170 4YY 0.16021 0.18231 -0.03389 0.01705 0.08555 171 4ZZ -0.01574 0.03325 0.09924 0.00421 0.00955 172 4XY -0.02332 -0.06686 0.12535 -0.00415 0.02789 173 4XZ 0.13657 -0.16407 -0.01426 -0.05731 0.07937 174 4YZ 0.05574 -0.10446 0.00216 -0.01796 0.15682 175 23 O 1S -0.01604 0.02679 0.00079 0.00054 0.00938 176 2S -0.12746 0.43373 0.07311 -0.01535 0.12939 177 2PX 0.01721 -0.01194 0.05325 -0.01835 -0.00223 178 2PY 0.04211 0.02617 0.06274 -0.00847 0.03898 179 2PZ 0.02562 -0.01219 0.00891 -0.00863 0.05846 180 3S 0.74917 -1.41950 -0.10840 -0.04143 -0.41753 181 3PX 0.01998 0.14211 0.02437 -0.00800 -0.09690 182 3PY 0.13124 -0.46516 -0.19557 -0.00535 -0.16534 183 3PZ 0.02621 -0.09728 -0.16001 0.01419 -0.09799 184 4XX 0.00924 0.05156 -0.01733 0.02088 0.00727 185 4YY -0.16021 0.18228 -0.03387 -0.01705 0.08547 186 4ZZ 0.01576 0.03326 0.09924 -0.00421 0.00960 187 4XY -0.02333 0.06685 -0.12535 -0.00417 -0.02793 188 4XZ -0.13658 -0.16409 -0.01425 0.05733 0.07934 189 4YZ 0.05573 0.10447 -0.00217 -0.01798 -0.15679 136 137 138 139 140 V V V V V Eigenvalues -- 1.88534 1.90842 1.93561 1.95825 1.97652 1 1 C 1S -0.00129 -0.01174 0.00808 -0.00055 0.00031 2 2S 0.06131 -0.33208 -0.05923 -0.08526 0.04683 3 2PX -0.03100 0.04516 -0.02104 0.05786 -0.01281 4 2PY -0.04196 0.10036 0.08221 -0.17761 -0.07774 5 2PZ 0.02363 0.00540 0.01661 -0.05957 0.00764 6 3S 0.13797 0.61194 -0.13707 0.17787 -0.20493 7 3PX -0.05611 -0.25423 0.13883 -0.34552 -0.05870 8 3PY -0.15312 -0.10516 -0.10872 0.33959 0.04970 9 3PZ 0.19343 0.21523 -0.02353 0.46802 0.09408 10 4XX -0.01909 -0.15560 -0.20989 -0.10462 0.10937 11 4YY 0.03075 0.21567 0.20243 0.01483 -0.12299 12 4ZZ 0.00117 -0.14538 0.00754 0.05822 0.00002 13 4XY -0.03811 -0.03268 0.01399 -0.09666 -0.19652 14 4XZ 0.06257 -0.12725 0.14353 0.11624 -0.04824 15 4YZ 0.01234 0.14872 0.00693 0.15035 0.20396 16 2 C 1S 0.00129 -0.01174 0.00808 0.00055 0.00031 17 2S -0.06130 -0.33208 -0.05923 0.08524 0.04692 18 2PX 0.03100 0.04516 -0.02103 -0.05785 -0.01284 19 2PY -0.04196 -0.10035 -0.08220 -0.17761 0.07778 20 2PZ -0.02362 0.00540 0.01661 0.05957 0.00767 21 3S -0.13805 0.61195 -0.13707 -0.17786 -0.20503 22 3PX 0.05616 -0.25424 0.13880 0.34551 -0.05873 23 3PY -0.15310 0.10514 0.10869 0.33960 -0.04986 24 3PZ -0.19345 0.21524 -0.02349 -0.46801 0.09409 25 4XX 0.01908 -0.15560 -0.20990 0.10460 0.10934 26 4YY -0.03074 0.21568 0.20243 -0.01482 -0.12294 27 4ZZ -0.00116 -0.14539 0.00755 -0.05822 0.00000 28 4XY -0.03811 0.03268 -0.01400 -0.09664 0.19659 29 4XZ -0.06252 -0.12725 0.14354 -0.11624 -0.04818 30 4YZ 0.01234 -0.14872 -0.00694 0.15034 -0.20396 31 3 C 1S -0.00093 0.00089 -0.00047 -0.02239 0.00855 32 2S 0.06231 -0.07411 -0.00401 -0.45078 -0.14071 33 2PX -0.02042 -0.03819 0.06484 0.04129 -0.10335 34 2PY -0.06496 0.02100 0.06628 -0.15547 -0.12431 35 2PZ -0.04864 -0.01929 0.02263 -0.05142 0.06906 36 3S -0.27079 -0.14552 0.11409 1.31341 -0.14591 37 3PX 0.18391 -0.20336 -0.21459 0.07909 0.23956 38 3PY 0.21507 -0.34622 0.24186 -0.16922 0.17853 39 3PZ -0.03382 0.25693 -0.17261 0.13902 -0.16015 40 4XX -0.03808 -0.09744 0.18832 -0.25767 -0.00283 41 4YY 0.10529 -0.03098 -0.08185 0.40741 0.00063 42 4ZZ -0.08164 0.07854 -0.04245 -0.09334 -0.03733 43 4XY 0.04940 -0.01415 -0.29697 0.13392 0.06848 44 4XZ -0.01285 -0.25147 0.00996 0.11375 -0.09542 45 4YZ -0.07508 0.04737 -0.10416 0.15454 -0.06258 46 4 C 1S -0.03183 0.03101 0.00553 0.00095 -0.01528 47 2S -0.31305 -0.12485 -0.24080 -0.14942 -0.04533 48 2PX 0.02998 -0.00924 0.06668 0.02877 0.05577 49 2PY -0.00274 -0.08246 -0.11090 -0.10601 0.05544 50 2PZ 0.01178 0.02292 0.01411 0.08717 0.03139 51 3S 1.12394 -0.29560 0.18952 0.13729 0.32602 52 3PX -0.19243 0.10231 0.10185 -0.52019 -0.16874 53 3PY 0.21091 0.29187 0.05767 0.60689 -0.18188 54 3PZ -0.16974 -0.03772 0.05795 -0.36502 -0.12846 55 4XX 0.01092 -0.29055 -0.00253 -0.07560 0.10333 56 4YY 0.02394 0.32141 0.22709 -0.05272 -0.18770 57 4ZZ -0.03320 -0.02361 -0.18630 0.16022 0.08932 58 4XY 0.01937 -0.13197 -0.24605 -0.05113 -0.00678 59 4XZ 0.06173 -0.21217 0.09434 -0.16616 0.05257 60 4YZ -0.00766 0.04119 -0.01594 -0.30071 0.03017 61 5 C 1S 0.03183 0.03101 0.00552 -0.00094 -0.01529 62 2S 0.31302 -0.12485 -0.24085 0.14940 -0.04528 63 2PX -0.02999 -0.00923 0.06669 -0.02876 0.05578 64 2PY -0.00275 0.08246 0.11090 -0.10600 -0.05542 65 2PZ -0.01177 0.02292 0.01413 -0.08717 0.03134 66 3S -1.12386 -0.29559 0.18964 -0.13732 0.32612 67 3PX 0.19244 0.10225 0.10177 0.52019 -0.16864 68 3PY 0.21095 -0.29189 -0.05774 0.60686 0.18178 69 3PZ 0.16975 -0.03774 0.05787 0.36504 -0.12831 70 4XX -0.01090 -0.29055 -0.00253 0.07559 0.10334 71 4YY -0.02394 0.32141 0.22709 0.05277 -0.18767 72 4ZZ 0.03319 -0.02361 -0.18629 -0.16026 0.08927 73 4XY 0.01938 0.13198 0.24606 -0.05112 0.00668 74 4XZ -0.06171 -0.21216 0.09434 0.16615 0.05264 75 4YZ -0.00767 -0.04116 0.01598 -0.30071 -0.03015 76 6 C 1S 0.00093 0.00089 -0.00047 0.02239 0.00854 77 2S -0.06233 -0.07414 -0.00404 0.45076 -0.14081 78 2PX 0.02045 -0.03819 0.06484 -0.04129 -0.10334 79 2PY -0.06497 -0.02099 -0.06626 -0.15547 0.12432 80 2PZ 0.04864 -0.01929 0.02262 0.05141 0.06911 81 3S 0.27084 -0.14544 0.11415 -1.31339 -0.14553 82 3PX -0.18393 -0.20336 -0.21456 -0.07911 0.23950 83 3PY 0.21499 0.34620 -0.24184 -0.16926 -0.17848 84 3PZ 0.03379 0.25694 -0.17262 -0.13901 -0.16031 85 4XX 0.03811 -0.09744 0.18828 0.25767 -0.00278 86 4YY -0.10530 -0.03097 -0.08181 -0.40742 0.00071 87 4ZZ 0.08164 0.07853 -0.04245 0.09336 -0.03744 88 4XY 0.04944 0.01415 0.29696 0.13396 -0.06848 89 4XZ 0.01288 -0.25145 0.00997 -0.11376 -0.09541 90 4YZ -0.07509 -0.04737 0.10415 0.15453 0.06267 91 7 H 1S 0.10295 0.10252 0.07323 0.19715 0.17373 92 2S 0.07096 0.01806 -0.02617 0.03621 0.02152 93 8 H 1S -0.10293 0.10253 0.07325 -0.19713 0.17377 94 2S -0.07096 0.01806 -0.02617 -0.03622 0.02150 95 9 H 1S -0.00725 -0.00964 0.16428 -0.51595 0.04249 96 2S 0.15105 -0.14779 0.07187 -0.05851 0.06091 97 10 H 1S -0.12381 0.25384 0.17369 -0.12589 -0.08076 98 2S -0.13138 -0.00158 -0.06381 0.03146 -0.07960 99 11 H 1S 0.12381 0.25382 0.17366 0.12591 -0.08075 100 2S 0.13135 -0.00159 -0.06382 -0.03146 -0.07958 101 12 H 1S 0.00728 -0.00966 0.16424 0.51598 0.04239 102 2S -0.15102 -0.14780 0.07187 0.05852 0.06087 103 13 H 1S 0.09043 0.22365 -0.12160 -0.12717 -0.08422 104 2S -0.01334 -0.03387 -0.02111 -0.28870 0.07772 105 14 H 1S -0.09045 0.22364 -0.12160 0.12718 -0.08416 106 2S 0.01333 -0.03388 -0.02114 0.28870 0.07775 107 15 C 1S 0.00000 -0.01993 0.01313 0.00000 -0.02275 108 2S -0.00003 -0.21806 0.13205 0.00001 -0.06183 109 2PX -0.00001 -0.01868 -0.04900 0.00000 0.00806 110 2PY -0.04619 0.00000 0.00000 -0.10084 -0.00003 111 2PZ 0.00000 -0.00154 -0.00199 0.00000 -0.03359 112 3S 0.00010 0.83091 -0.80827 -0.00004 0.47134 113 3PX 0.00006 0.40603 -0.51733 -0.00002 -0.37582 114 3PY -0.19168 0.00000 0.00000 0.04596 0.00002 115 3PZ 0.00000 -0.04815 -0.11559 -0.00001 -0.39568 116 4XX 0.00002 0.08992 0.10178 0.00001 0.28102 117 4YY -0.00004 -0.16356 -0.00990 0.00000 -0.30427 118 4ZZ 0.00003 0.09563 -0.09591 -0.00001 0.02620 119 4XY -0.05573 0.00000 0.00000 0.16935 0.00004 120 4XZ -0.00002 -0.10487 0.11039 0.00000 0.07871 121 4YZ 0.10774 0.00000 0.00000 -0.09162 -0.00005 122 16 C 1S -0.00834 0.01017 -0.00142 0.01408 -0.00144 123 2S -0.12237 0.02886 0.13471 0.13346 0.21241 124 2PX -0.01879 -0.08764 0.07042 0.06266 -0.12016 125 2PY -0.18558 0.00131 -0.00905 -0.04384 -0.02235 126 2PZ 0.02117 0.05417 -0.04889 0.02414 0.07423 127 3S -0.22275 0.10047 -0.25630 -0.61526 0.17077 128 3PX -0.07278 0.01360 -0.06500 0.08250 0.17742 129 3PY -0.80630 -0.07335 -0.04012 0.01419 -0.29320 130 3PZ -0.63143 0.06574 -0.25045 -0.35374 -0.34360 131 4XX 0.00751 0.04181 -0.13784 0.01656 -0.10776 132 4YY -0.04542 0.02467 0.08121 -0.04659 0.10562 133 4ZZ 0.03300 -0.02745 0.00738 -0.00817 -0.01193 134 4XY -0.27382 0.03980 0.00613 0.03155 -0.09389 135 4XZ -0.17030 0.17988 -0.14903 -0.05893 0.22161 136 4YZ 0.05622 -0.13134 0.22152 0.02815 0.22517 137 17 C 1S 0.00835 0.01017 -0.00141 -0.01408 -0.00143 138 2S 0.12245 0.02889 0.13472 -0.13346 0.21259 139 2PX 0.01877 -0.08763 0.07042 -0.06265 -0.12014 140 2PY -0.18557 -0.00130 0.00905 -0.04384 0.02234 141 2PZ -0.02114 0.05417 -0.04888 -0.02415 0.07425 142 3S 0.22265 0.10033 -0.25635 0.61525 0.17023 143 3PX 0.07279 0.01360 -0.06498 -0.08251 0.17735 144 3PY -0.80632 0.07339 0.04017 0.01419 0.29327 145 3PZ 0.63135 0.06567 -0.25051 0.35372 -0.34371 146 4XX -0.00753 0.04180 -0.13784 -0.01657 -0.10781 147 4YY 0.04544 0.02466 0.08122 0.04660 0.10565 148 4ZZ -0.03301 -0.02744 0.00737 0.00816 -0.01193 149 4XY -0.27386 -0.03981 -0.00612 0.03155 0.09384 150 4XZ 0.17032 0.17986 -0.14904 0.05892 0.22162 151 4YZ 0.05627 0.13134 -0.22152 0.02814 -0.22517 152 18 H 1S -0.00003 -0.16455 0.21637 0.00001 0.02279 153 2S -0.00001 -0.10726 0.17347 0.00001 0.12478 154 19 H 1S -0.36615 0.12222 -0.22673 0.01838 -0.25869 155 2S -0.35123 -0.04403 0.01584 -0.05892 -0.19280 156 20 H 1S 0.36619 0.12221 -0.22674 -0.01840 -0.25865 157 2S 0.35120 -0.04404 0.01581 0.05892 -0.19281 158 21 H 1S -0.00001 -0.05469 -0.13278 -0.00001 -0.38096 159 2S 0.00002 0.06041 -0.06762 0.00000 -0.19200 160 22 O 1S -0.01508 0.01041 -0.01791 0.01367 -0.01444 161 2S 0.01772 0.26979 -0.24361 -0.03220 0.28871 162 2PX 0.00858 0.05241 -0.06136 0.03518 0.05771 163 2PY -0.21166 -0.03266 0.02567 0.07744 -0.09287 164 2PZ 0.05546 -0.00190 -0.07248 -0.09216 -0.13622 165 3S 0.17656 -0.76137 0.83142 -0.28213 -0.27672 166 3PX -0.05458 -0.15223 0.20870 -0.15337 0.06859 167 3PY 0.29772 0.19176 -0.27837 -0.07075 0.02795 168 3PZ -0.14141 -0.01406 0.20860 0.18084 0.27669 169 4XX 0.07847 0.05579 -0.05241 0.00804 -0.03663 170 4YY -0.44202 0.11108 -0.10658 0.08126 0.07363 171 4ZZ 0.29937 -0.01672 0.01178 -0.03818 0.05510 172 4XY 0.24528 0.00654 -0.11405 0.05719 -0.15910 173 4XZ -0.17123 0.00817 0.07735 0.04326 0.21493 174 4YZ -0.12691 0.06812 -0.13202 -0.02417 -0.12407 175 23 O 1S 0.01508 0.01041 -0.01791 -0.01367 -0.01444 176 2S -0.01769 0.26980 -0.24361 0.03217 0.28882 177 2PX -0.00858 0.05242 -0.06136 -0.03518 0.05770 178 2PY -0.21165 0.03267 -0.02567 0.07743 0.09291 179 2PZ -0.05545 -0.00190 -0.07249 0.09215 -0.13619 180 3S -0.17663 -0.76143 0.83140 0.28219 -0.27696 181 3PX 0.05458 -0.15225 0.20869 0.15339 0.06853 182 3PY 0.29768 -0.19178 0.27836 -0.07072 -0.02801 183 3PZ 0.14140 -0.01405 0.20862 -0.18082 0.27667 184 4XX -0.07847 0.05579 -0.05241 -0.00805 -0.03663 185 4YY 0.44204 0.11108 -0.10659 -0.08127 0.07366 186 4ZZ -0.29938 -0.01672 0.01179 0.03818 0.05511 187 4XY 0.24527 -0.00655 0.11403 0.05720 0.15915 188 4XZ 0.17126 0.00816 0.07736 -0.04326 0.21493 189 4YZ -0.12691 -0.06811 0.13202 -0.02416 0.12404 141 142 143 144 145 V V V V V Eigenvalues -- 1.97837 1.98102 2.00054 2.01937 2.04158 1 1 C 1S -0.00028 -0.00209 0.01314 -0.00285 0.01247 2 2S 0.16784 0.20971 0.04720 -0.06066 0.08271 3 2PX -0.04686 -0.07252 0.00713 0.02301 -0.00572 4 2PY -0.10002 -0.07528 -0.11698 -0.01897 -0.06558 5 2PZ 0.04759 0.07104 0.05054 0.02865 0.03876 6 3S -0.34259 -0.16280 -0.65699 0.06123 -0.45298 7 3PX -0.01808 -0.05742 0.13784 -0.11160 0.18120 8 3PY 0.37176 0.35506 0.05226 -0.05181 0.10224 9 3PZ -0.00179 0.00169 -0.09382 0.08020 -0.20317 10 4XX -0.05186 -0.02193 0.08294 0.06094 0.03499 11 4YY 0.05911 0.07524 -0.10639 -0.08428 -0.02095 12 4ZZ -0.01060 -0.04648 0.05046 0.04571 0.01067 13 4XY -0.10889 -0.11693 -0.24325 -0.02819 -0.08008 14 4XZ 0.10137 0.07895 0.08638 -0.00270 0.14111 15 4YZ 0.01638 -0.05088 0.32322 0.08091 0.12319 16 2 C 1S 0.00028 0.00209 0.01314 -0.00285 0.01247 17 2S -0.16782 -0.20970 0.04723 -0.06067 0.08272 18 2PX 0.04686 0.07252 0.00712 0.02301 -0.00572 19 2PY -0.09999 -0.07526 0.11700 0.01896 0.06558 20 2PZ -0.04758 -0.07104 0.05055 0.02865 0.03877 21 3S 0.34250 0.16273 -0.65705 0.06125 -0.45303 22 3PX 0.01806 0.05740 0.13782 -0.11161 0.18121 23 3PY 0.37173 0.35504 -0.05235 0.05183 -0.10225 24 3PZ 0.00183 -0.00167 -0.09381 0.08021 -0.20319 25 4XX 0.05190 0.02196 0.08293 0.06094 0.03498 26 4YY -0.05916 -0.07527 -0.10635 -0.08428 -0.02094 27 4ZZ 0.01060 0.04648 0.05044 0.04571 0.01067 28 4XY -0.10880 -0.11686 0.24327 0.02819 0.08009 29 4XZ -0.10138 -0.07896 0.08641 -0.00270 0.14112 30 4YZ 0.01628 -0.05096 -0.32323 -0.08092 -0.12318 31 3 C 1S -0.02228 -0.02595 -0.01443 -0.00221 -0.00017 32 2S -0.24263 -0.16088 -0.71194 0.00334 -0.31279 33 2PX 0.03021 -0.00234 -0.05453 -0.04534 0.01665 34 2PY -0.04146 0.00828 -0.15623 -0.01480 -0.08945 35 2PZ 0.06696 0.13089 0.08257 0.04346 -0.02934 36 3S 0.70891 0.77023 1.44874 -0.11428 0.58150 37 3PX -0.14762 -0.12441 0.01437 0.00471 0.12298 38 3PY -0.17850 0.01836 0.63514 -0.17900 0.64188 39 3PZ -0.23321 -0.47833 -0.12673 -0.17863 0.01662 40 4XX 0.02406 0.15930 0.02137 -0.03448 0.00181 41 4YY 0.19616 0.07381 -0.15622 0.05910 -0.07026 42 4ZZ -0.19977 -0.23599 0.14205 -0.05458 0.11666 43 4XY 0.03899 -0.02471 0.10298 -0.07689 -0.00353 44 4XZ 0.01648 0.02114 -0.03521 -0.07354 0.00922 45 4YZ -0.14577 -0.26628 -0.05086 -0.06663 -0.00909 46 4 C 1S -0.01807 -0.02107 0.01876 -0.00580 0.00655 47 2S 0.03402 0.17878 0.10118 -0.02121 -0.13099 48 2PX 0.02010 0.00591 -0.00918 0.03796 -0.01761 49 2PY -0.03374 -0.02579 0.06330 -0.02086 0.02111 50 2PZ -0.08569 -0.14565 0.05701 -0.00178 0.07403 51 3S 0.33505 0.09379 -0.61346 0.16374 -0.07758 52 3PX 0.13278 0.39301 -0.03456 0.06069 -0.12364 53 3PY 0.28671 0.07729 -0.01312 0.01483 -0.08619 54 3PZ 0.17616 0.39926 0.17282 -0.07515 0.00370 55 4XX -0.01363 0.06794 -0.03378 0.02150 -0.05640 56 4YY 0.04943 0.06918 -0.00797 -0.03809 0.05086 57 4ZZ -0.04388 -0.16866 0.06975 0.01606 0.03159 58 4XY 0.18336 0.21512 -0.05198 -0.10340 0.03705 59 4XZ 0.09309 0.20603 -0.01155 0.03187 -0.00572 60 4YZ -0.08437 0.00981 0.10399 -0.04279 0.13140 61 5 C 1S 0.01807 0.02107 0.01875 -0.00580 0.00655 62 2S -0.03404 -0.17879 0.10120 -0.02123 -0.13097 63 2PX -0.02008 -0.00590 -0.00917 0.03796 -0.01761 64 2PY -0.03377 -0.02581 -0.06329 0.02086 -0.02111 65 2PZ 0.08570 0.14566 0.05699 -0.00177 0.07402 66 3S -0.33497 -0.09379 -0.61343 0.16377 -0.07760 67 3PX -0.13284 -0.39304 -0.03457 0.06064 -0.12361 68 3PY 0.28678 0.07733 0.01307 -0.01482 0.08617 69 3PZ -0.17619 -0.39927 0.17285 -0.07519 0.00374 70 4XX 0.01364 -0.06795 -0.03377 0.02150 -0.05640 71 4YY -0.04948 -0.06921 -0.00796 -0.03810 0.05087 72 4ZZ 0.04392 0.16870 0.06972 0.01607 0.03158 73 4XY 0.18337 0.21513 0.05196 0.10341 -0.03706 74 4XZ -0.09307 -0.20602 -0.01153 0.03187 -0.00571 75 4YZ -0.08440 0.00978 -0.10398 0.04279 -0.13139 76 6 C 1S 0.02229 0.02595 -0.01444 -0.00221 -0.00017 77 2S 0.24255 0.16080 -0.71198 0.00334 -0.31280 78 2PX -0.03025 0.00232 -0.05453 -0.04534 0.01665 79 2PY -0.04141 0.00833 0.15623 0.01480 0.08945 80 2PZ -0.06693 -0.13087 0.08260 0.04346 -0.02933 81 3S -0.70891 -0.77018 1.44892 -0.11432 0.58153 82 3PX 0.14772 0.12447 0.01437 0.00472 0.12297 83 3PY -0.17861 0.01825 -0.63511 0.17900 -0.64186 84 3PZ 0.23316 0.47832 -0.12681 -0.17861 0.01660 85 4XX -0.02407 -0.15930 0.02138 -0.03449 0.00182 86 4YY -0.19616 -0.07381 -0.15620 0.05910 -0.07025 87 4ZZ 0.19976 0.23598 0.14202 -0.05456 0.11665 88 4XY 0.03897 -0.02474 -0.10299 0.07688 0.00354 89 4XZ -0.01651 -0.02115 -0.03520 -0.07354 0.00922 90 4YZ -0.14576 -0.26628 0.05088 0.06663 0.00909 91 7 H 1S 0.09566 0.05853 0.30276 0.06109 0.12993 92 2S -0.06147 -0.04419 -0.07929 0.02742 -0.10681 93 8 H 1S -0.09558 -0.05846 0.30278 0.06109 0.12993 94 2S 0.06147 0.04418 -0.07930 0.02742 -0.10682 95 9 H 1S -0.26670 -0.11505 0.07302 -0.05715 0.14409 96 2S -0.08895 -0.06313 0.06737 -0.07653 0.16286 97 10 H 1S -0.00118 0.01238 0.10616 0.03098 0.01853 98 2S -0.01120 0.11444 0.02933 0.04766 -0.10350 99 11 H 1S 0.00116 -0.01238 0.10615 0.03097 0.01853 100 2S 0.01117 -0.11445 0.02934 0.04765 -0.10348 101 12 H 1S 0.26673 0.11507 0.07298 -0.05714 0.14408 102 2S 0.08899 0.06316 0.06736 -0.07653 0.16284 103 13 H 1S 0.08634 0.16885 0.05733 -0.08968 0.07387 104 2S 0.02168 0.12263 0.03643 0.02512 0.02165 105 14 H 1S -0.08636 -0.16884 0.05734 -0.08969 0.07387 106 2S -0.02165 -0.12261 0.03642 0.02511 0.02166 107 15 C 1S 0.00000 0.00000 0.03155 -0.02233 -0.03148 108 2S 0.00000 0.00000 0.08927 0.02843 -0.02704 109 2PX 0.00000 0.00000 -0.09466 0.04566 0.12536 110 2PY 0.29495 -0.17750 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.03842 -0.15602 -0.01716 112 3S 0.00002 -0.00002 -0.97410 0.82010 0.86632 113 3PX -0.00007 -0.00002 -0.03289 -0.54410 0.39799 114 3PY -0.16784 0.13928 0.00000 0.00001 -0.00001 115 3PZ -0.00006 -0.00001 0.15116 -0.47376 0.46208 116 4XX 0.00004 0.00001 -0.04335 0.31223 -0.24918 117 4YY -0.00005 -0.00001 0.15809 -0.06850 -0.06601 118 4ZZ 0.00001 0.00000 -0.12898 -0.19945 0.34015 119 4XY -0.39434 0.32164 0.00000 0.00000 -0.00001 120 4XZ 0.00001 0.00001 -0.11005 0.11675 0.35831 121 4YZ 0.41369 -0.29963 0.00000 0.00000 0.00000 122 16 C 1S 0.01319 0.01668 0.00849 0.00491 0.00220 123 2S 0.43652 0.27327 -0.04411 0.16463 0.30817 124 2PX 0.00894 0.12697 0.12066 0.04868 0.03444 125 2PY 0.04935 -0.03928 -0.09397 0.20061 0.19568 126 2PZ 0.08660 -0.02028 -0.04851 0.05655 -0.01688 127 3S -1.15725 -1.15843 -0.52518 -0.20934 -0.08196 128 3PX -0.05011 -0.25883 -0.27735 -0.15633 -0.01645 129 3PY -0.20590 0.00750 0.39412 -0.09571 -0.43793 130 3PZ -0.30741 -0.17051 0.07144 0.09146 -0.23704 131 4XX -0.08869 -0.08129 -0.09503 0.33029 0.02771 132 4YY 0.07858 -0.05429 0.18169 -0.35603 -0.29934 133 4ZZ 0.00883 0.07441 -0.14912 0.05701 0.28470 134 4XY 0.12891 0.00569 0.07239 0.12470 -0.02133 135 4XZ 0.08492 -0.09614 -0.23362 -0.06512 -0.17929 136 4YZ 0.01987 0.02362 -0.11085 -0.25487 0.18326 137 17 C 1S -0.01319 -0.01668 0.00849 0.00491 0.00220 138 2S -0.43647 -0.27325 -0.04405 0.16462 0.30819 139 2PX -0.00897 -0.12698 0.12068 0.04868 0.03444 140 2PY 0.04936 -0.03927 0.09398 -0.20061 -0.19568 141 2PZ -0.08659 0.02028 -0.04850 0.05654 -0.01688 142 3S 1.15732 1.15846 -0.52539 -0.20933 -0.08200 143 3PX 0.05016 0.25886 -0.27738 -0.15632 -0.01646 144 3PY -0.20581 0.00753 -0.39412 0.09572 0.43794 145 3PZ 0.30730 0.17046 0.07140 0.09146 -0.23702 146 4XX 0.08864 0.08126 -0.09504 0.33030 0.02771 147 4YY -0.07854 0.05433 0.18169 -0.35605 -0.29933 148 4ZZ -0.00884 -0.07441 -0.14911 0.05702 0.28469 149 4XY 0.12894 0.00572 -0.07240 -0.12470 0.02134 150 4XZ -0.08487 0.09616 -0.23362 -0.06512 -0.17928 151 4YZ 0.01979 0.02359 0.11086 0.25486 -0.18329 152 18 H 1S 0.00001 0.00000 0.21918 0.19804 -0.60088 153 2S 0.00003 0.00001 0.00903 0.03184 -0.13661 154 19 H 1S 0.09531 0.07605 0.16471 0.28145 -0.27920 155 2S -0.05033 0.07048 0.21025 -0.03572 -0.09314 156 20 H 1S -0.09541 -0.07610 0.16473 0.28145 -0.27920 157 2S 0.05027 -0.07050 0.21026 -0.03573 -0.09313 158 21 H 1S -0.00005 -0.00001 0.16960 -0.50500 0.10656 159 2S -0.00003 -0.00001 0.13289 -0.24572 0.04495 160 22 O 1S -0.00907 0.01995 -0.00314 0.02233 0.00281 161 2S 0.28692 0.06990 -0.39958 0.05193 0.17512 162 2PX -0.11853 0.16842 -0.06291 -0.24739 -0.05487 163 2PY -0.16600 0.14758 0.06936 -0.00235 -0.03521 164 2PZ 0.14197 -0.08992 0.01797 0.08261 0.12266 165 3S -0.50281 -0.48101 0.83458 -0.45846 -0.38180 166 3PX 0.01763 -0.37152 0.07079 0.42613 0.07632 167 3PY 0.19433 -0.08744 -0.17945 0.20339 0.08824 168 3PZ -0.14295 0.15402 0.01035 -0.01439 -0.29302 169 4XX 0.05322 -0.08535 0.01651 -0.09490 0.10438 170 4YY 0.00468 0.19263 -0.13289 -0.01324 0.09065 171 4ZZ 0.03996 -0.03376 -0.04849 0.18371 -0.14713 172 4XY -0.19207 0.03891 0.06284 -0.26873 0.02647 173 4XZ 0.04024 -0.11372 -0.08635 -0.02822 0.01752 174 4YZ 0.14800 -0.09415 -0.06434 -0.06535 0.22757 175 23 O 1S 0.00906 -0.01996 -0.00314 0.02233 0.00281 176 2S -0.28685 -0.06988 -0.39957 0.05193 0.17512 177 2PX 0.11855 -0.16840 -0.06290 -0.24739 -0.05487 178 2PY -0.16598 0.14759 -0.06937 0.00235 0.03521 179 2PZ -0.14202 0.08990 0.01797 0.08262 0.12266 180 3S 0.50279 0.48104 0.83451 -0.45846 -0.38180 181 3PX -0.01762 0.37152 0.07075 0.42614 0.07632 182 3PY 0.19434 -0.08742 0.17946 -0.20340 -0.08823 183 3PZ 0.14305 -0.15398 0.01036 -0.01440 -0.29302 184 4XX -0.05323 0.08534 0.01651 -0.09490 0.10438 185 4YY -0.00467 -0.19262 -0.13287 -0.01324 0.09066 186 4ZZ -0.03994 0.03375 -0.04850 0.18372 -0.14714 187 4XY -0.19202 0.03892 -0.06282 0.26873 -0.02647 188 4XZ -0.04018 0.11375 -0.08636 -0.02820 0.01751 189 4YZ 0.14804 -0.09414 0.06434 0.06534 -0.22757 146 147 148 149 150 V V V V V Eigenvalues -- 2.08889 2.12024 2.14082 2.16023 2.23011 1 1 C 1S -0.02420 -0.00766 -0.00693 0.00306 -0.00495 2 2S -0.50742 -0.37215 0.10823 0.03801 0.03613 3 2PX 0.05221 0.14156 -0.00790 -0.00351 0.00809 4 2PY 0.16457 0.05263 -0.06215 -0.02744 -0.07309 5 2PZ -0.06287 -0.11547 0.02160 0.00764 -0.03317 6 3S 0.61338 0.94813 0.34970 -0.08773 -0.28800 7 3PX -0.36110 -0.37275 -0.04502 0.05117 -0.09261 8 3PY -0.22668 -0.32685 0.19185 0.08928 0.22255 9 3PZ 0.36935 0.32228 0.14564 0.00182 -0.13522 10 4XX -0.07831 -0.04203 -0.05230 -0.01351 0.09954 11 4YY 0.24072 -0.11404 -0.18209 -0.03679 0.03306 12 4ZZ -0.22862 0.11384 0.25469 0.06700 -0.18377 13 4XY -0.17201 -0.08369 0.04906 -0.05174 0.09621 14 4XZ -0.21388 -0.18806 -0.15471 -0.01399 -0.06069 15 4YZ 0.07717 -0.08038 0.00162 0.06111 0.18872 16 2 C 1S -0.02420 0.00766 -0.00693 0.00306 0.00495 17 2S -0.50742 0.37214 0.10825 0.03800 -0.03614 18 2PX 0.05221 -0.14156 -0.00792 -0.00351 -0.00808 19 2PY -0.16457 0.05261 0.06215 0.02744 -0.07310 20 2PZ -0.06287 0.11547 0.02161 0.00764 0.03317 21 3S 0.61336 -0.94811 0.34978 -0.08771 0.28800 22 3PX -0.36109 0.37274 -0.04503 0.05118 0.09260 23 3PY 0.22667 -0.32683 -0.19183 -0.08926 0.22256 24 3PZ 0.36935 -0.32229 0.14567 0.00182 0.13523 25 4XX -0.07832 0.04202 -0.05231 -0.01352 -0.09954 26 4YY 0.24073 0.11405 -0.18208 -0.03679 -0.03305 27 4ZZ -0.22863 -0.11386 0.25470 0.06701 0.18377 28 4XY 0.17200 -0.08370 -0.04906 0.05175 0.09621 29 4XZ -0.21388 0.18806 -0.15470 -0.01400 0.06069 30 4YZ -0.07716 -0.08038 -0.00164 -0.06111 0.18871 31 3 C 1S -0.00633 -0.00565 0.00623 0.00599 -0.00035 32 2S -0.02732 -0.18569 -0.02859 -0.13025 0.16864 33 2PX -0.11307 0.10393 0.02679 0.00505 0.01191 34 2PY 0.01544 0.04339 -0.03279 -0.07839 0.03850 35 2PZ 0.21727 -0.01087 -0.02863 -0.00453 0.02009 36 3S -0.13347 0.69361 -0.20432 -0.00826 -0.26102 37 3PX -0.16407 -0.42046 -0.44401 -0.05178 -0.04402 38 3PY -0.18468 0.14829 -0.35729 0.25392 -0.29832 39 3PZ -0.09360 -0.06939 -0.07520 -0.06424 -0.18483 40 4XX 0.19725 0.22893 -0.08153 0.02949 -0.14378 41 4YY -0.02406 -0.09732 0.17614 0.06581 0.14409 42 4ZZ -0.20299 -0.06124 -0.12680 -0.07169 -0.00859 43 4XY -0.04160 -0.27307 -0.16226 -0.11520 -0.06992 44 4XZ -0.10179 0.19422 -0.08329 -0.06184 0.02303 45 4YZ -0.09040 0.06868 -0.09296 -0.05984 -0.00265 46 4 C 1S -0.00784 -0.01015 -0.01555 -0.01198 -0.00443 47 2S 0.42787 -0.26084 0.19524 -0.04696 -0.11262 48 2PX 0.01444 -0.00897 0.02601 0.02386 0.03452 49 2PY 0.12059 -0.03423 0.08263 0.03302 -0.02767 50 2PZ -0.09785 0.05370 -0.09489 0.00030 0.00948 51 3S -0.16602 0.44331 0.12651 0.24006 0.51249 52 3PX -0.06192 0.09139 0.57243 0.00696 -0.04635 53 3PY -0.21702 0.15919 -0.09738 -0.15039 0.11270 54 3PZ 0.33240 -0.00018 0.17829 0.01181 -0.03814 55 4XX 0.41130 0.14025 -0.15280 0.01588 0.12114 56 4YY -0.21639 -0.07215 -0.17039 -0.06545 -0.01468 57 4ZZ -0.24209 -0.03001 0.24564 0.02965 -0.07161 58 4XY 0.00430 -0.13826 -0.42641 -0.10196 -0.10162 59 4XZ -0.03465 -0.05558 0.17091 0.01744 0.12121 60 4YZ -0.15240 -0.13880 -0.07752 0.04720 -0.00660 61 5 C 1S -0.00783 0.01015 -0.01555 -0.01198 0.00443 62 2S 0.42790 0.26082 0.19525 -0.04697 0.11262 63 2PX 0.01444 0.00897 0.02601 0.02386 -0.03452 64 2PY -0.12059 -0.03422 -0.08263 -0.03302 -0.02767 65 2PZ -0.09786 -0.05369 -0.09489 0.00030 -0.00947 66 3S -0.16609 -0.44328 0.12641 0.24007 -0.51251 67 3PX -0.06192 -0.09142 0.57240 0.00697 0.04633 68 3PY 0.21703 0.15919 0.09740 0.15037 0.11269 69 3PZ 0.33243 0.00016 0.17827 0.01181 0.03814 70 4XX 0.41130 -0.14025 -0.15281 0.01588 -0.12114 71 4YY -0.21640 0.07217 -0.17039 -0.06545 0.01468 72 4ZZ -0.24209 0.03000 0.24564 0.02964 0.07161 73 4XY -0.00429 -0.13829 0.42639 0.10196 -0.10163 74 4XZ -0.03465 0.05557 0.17094 0.01744 -0.12120 75 4YZ 0.15240 -0.13880 0.07748 -0.04720 -0.00660 76 6 C 1S -0.00633 0.00565 0.00623 0.00599 0.00035 77 2S -0.02729 0.18570 -0.02863 -0.13025 -0.16863 78 2PX -0.11307 -0.10394 0.02679 0.00506 -0.01191 79 2PY -0.01545 0.04339 0.03280 0.07838 0.03849 80 2PZ 0.21727 0.01087 -0.02863 -0.00452 -0.02009 81 3S -0.13352 -0.69369 -0.20421 -0.00826 0.26103 82 3PX -0.16407 0.42049 -0.44397 -0.05179 0.04404 83 3PY 0.18470 0.14828 0.35720 -0.25392 -0.29832 84 3PZ -0.09358 0.06940 -0.07518 -0.06424 0.18483 85 4XX 0.19724 -0.22893 -0.08154 0.02950 0.14378 86 4YY -0.02407 0.09730 0.17612 0.06580 -0.14411 87 4ZZ -0.20298 0.06126 -0.12678 -0.07169 0.00860 88 4XY 0.04160 -0.27308 0.16222 0.11521 -0.06993 89 4XZ -0.10179 -0.19423 -0.08329 -0.06184 -0.02303 90 4YZ 0.09040 0.06868 0.09297 0.05985 -0.00266 91 7 H 1S 0.09190 -0.09759 -0.14128 0.02335 0.04706 92 2S 0.12201 0.14751 0.03589 -0.01541 -0.05374 93 8 H 1S 0.09189 0.09760 -0.14128 0.02334 -0.04706 94 2S 0.12201 -0.14751 0.03590 -0.01541 0.05375 95 9 H 1S 0.01158 0.04470 -0.16798 0.02322 -0.12662 96 2S -0.10634 -0.06172 -0.15010 0.08968 -0.03825 97 10 H 1S -0.21123 -0.04521 0.40555 0.05387 -0.05605 98 2S -0.06028 -0.05266 -0.02625 -0.15338 -0.00832 99 11 H 1S -0.21123 0.04518 0.40555 0.05387 0.05604 100 2S -0.06028 0.05265 -0.02625 -0.15337 0.00832 101 12 H 1S 0.01158 -0.04468 -0.16797 0.02323 0.12663 102 2S -0.10634 0.06174 -0.15008 0.08967 0.03825 103 13 H 1S -0.10252 0.12161 -0.36360 -0.08119 0.12637 104 2S -0.02392 -0.01785 -0.17094 -0.01659 -0.05196 105 14 H 1S -0.10252 -0.12159 -0.36361 -0.08118 -0.12636 106 2S -0.02392 0.01786 -0.17095 -0.01659 0.05197 107 15 C 1S 0.00181 0.00000 0.00351 -0.02379 0.00000 108 2S -0.06294 0.00001 -0.11924 -0.54510 0.00001 109 2PX -0.01959 0.00000 -0.08066 -0.08803 0.00000 110 2PY 0.00000 0.09741 0.00000 0.00000 -0.02686 111 2PZ 0.00599 0.00000 0.03121 0.05956 0.00000 112 3S 0.19861 -0.00001 0.19536 0.89097 -0.00003 113 3PX 0.36923 -0.00003 0.56870 0.79377 -0.00002 114 3PY 0.00000 -0.07224 -0.00001 0.00001 -0.03455 115 3PZ 0.29269 -0.00002 0.40665 -0.46893 0.00001 116 4XX -0.07063 0.00000 -0.01263 -0.36991 0.00001 117 4YY 0.05362 0.00000 -0.04649 0.32826 -0.00001 118 4ZZ 0.04967 0.00000 0.10228 0.04575 -0.00001 119 4XY 0.00000 -0.05181 0.00000 -0.00001 -0.49481 120 4XZ 0.07248 -0.00001 0.17938 -0.59098 0.00000 121 4YZ 0.00000 0.11396 0.00000 -0.00001 -0.43040 122 16 C 1S 0.00261 0.00050 -0.00369 0.02931 -0.00928 123 2S 0.02985 0.33170 -0.22688 0.49920 -0.01212 124 2PX 0.07175 0.14979 -0.01853 -0.01351 -0.02883 125 2PY -0.00543 0.00771 -0.11549 0.20729 0.07007 126 2PZ -0.04593 0.02246 -0.03366 0.07229 0.00178 127 3S -0.18269 -1.23157 0.07132 -0.52671 0.67413 128 3PX -0.23753 -0.15640 -0.08309 0.35572 -0.19343 129 3PY 0.15426 -0.12909 0.30695 -0.47185 0.42222 130 3PZ 0.20147 -0.63353 0.20153 -0.40970 0.26860 131 4XX 0.01384 -0.06109 -0.04939 -0.15259 -0.09896 132 4YY -0.04350 0.01536 0.10305 -0.22278 0.06339 133 4ZZ 0.02232 -0.09784 -0.03628 0.42237 0.03404 134 4XY 0.05162 0.05826 0.05418 -0.03071 -0.19504 135 4XZ -0.02496 -0.41784 -0.01207 0.16808 -0.07759 136 4YZ -0.04536 0.00706 -0.01938 0.00821 -0.34122 137 17 C 1S 0.00261 -0.00050 -0.00369 0.02931 0.00928 138 2S 0.02983 -0.33170 -0.22687 0.49922 0.01210 139 2PX 0.07174 -0.14979 -0.01854 -0.01351 0.02884 140 2PY 0.00543 0.00771 0.11549 -0.20729 0.07007 141 2PZ -0.04593 -0.02246 -0.03366 0.07228 -0.00178 142 3S -0.18259 1.23161 0.07124 -0.52680 -0.67411 143 3PX -0.23754 0.15641 -0.08308 0.35575 0.19342 144 3PY -0.15429 -0.12907 -0.30690 0.47191 0.42223 145 3PZ 0.20150 0.63352 0.20150 -0.40973 -0.26858 146 4XX 0.01385 0.06109 -0.04939 -0.15259 0.09896 147 4YY -0.04350 -0.01536 0.10305 -0.22279 -0.06336 148 4ZZ 0.02232 0.09785 -0.03628 0.42237 -0.03407 149 4XY -0.05161 0.05826 -0.05419 0.03070 -0.19504 150 4XZ -0.02495 0.41785 -0.01205 0.16808 0.07759 151 4YZ 0.04536 0.00706 0.01938 -0.00824 -0.34122 152 18 H 1S -0.18774 0.00001 -0.31864 0.05145 0.00000 153 2S -0.11892 0.00001 -0.06772 0.04146 0.00000 154 19 H 1S 0.09724 -0.04065 0.07789 -0.13461 0.14462 155 2S 0.15449 -0.04303 0.09101 -0.18514 0.08795 156 20 H 1S 0.09724 0.04064 0.07789 -0.13462 -0.14462 157 2S 0.15450 0.04302 0.09100 -0.18516 -0.08795 158 21 H 1S 0.11013 -0.00001 0.08790 0.37343 -0.00001 159 2S 0.14949 -0.00001 0.26595 0.05160 0.00000 160 22 O 1S 0.00837 -0.00358 0.00122 0.01025 -0.00639 161 2S 0.02709 0.40724 0.09736 -0.16446 -0.09720 162 2PX -0.02097 0.12334 0.01861 0.10024 -0.04287 163 2PY -0.00422 -0.11674 -0.03745 0.13018 0.01726 164 2PZ 0.04380 -0.05932 0.05911 -0.07375 -0.06367 165 3S -0.25956 -0.82589 -0.30505 0.11131 0.36393 166 3PX -0.03706 -0.33793 -0.15684 0.05134 0.24590 167 3PY 0.11350 0.20456 0.14624 -0.09959 -0.13458 168 3PZ -0.12565 0.09407 -0.17311 -0.12494 0.17426 169 4XX 0.13461 0.00351 0.09102 -0.21689 -0.11201 170 4YY 0.02516 0.08759 0.06106 0.01724 -0.00471 171 4ZZ -0.12147 0.04412 -0.11934 0.19813 0.08557 172 4XY 0.09780 -0.02210 0.15992 0.00502 -0.29767 173 4XZ -0.04811 0.06933 -0.03873 -0.05669 0.05790 174 4YZ 0.09326 0.01359 0.10205 -0.01155 -0.24727 175 23 O 1S 0.00837 0.00358 0.00122 0.01025 0.00639 176 2S 0.02708 -0.40723 0.09734 -0.16446 0.09720 177 2PX -0.02098 -0.12334 0.01861 0.10024 0.04286 178 2PY 0.00422 -0.11674 0.03745 -0.13018 0.01726 179 2PZ 0.04380 0.05930 0.05912 -0.07375 0.06367 180 3S -0.25952 0.82589 -0.30505 0.11127 -0.36392 181 3PX -0.03705 0.33793 -0.15683 0.05132 -0.24590 182 3PY -0.11349 0.20457 -0.14624 0.09959 -0.13457 183 3PZ -0.12566 -0.09405 -0.17312 -0.12494 -0.17425 184 4XX 0.13461 -0.00352 0.09102 -0.21688 0.11202 185 4YY 0.02515 -0.08759 0.06106 0.01724 0.00471 186 4ZZ -0.12147 -0.04410 -0.11934 0.19813 -0.08559 187 4XY -0.09780 -0.02208 -0.15993 -0.00503 -0.29767 188 4XZ -0.04811 -0.06932 -0.03874 -0.05670 -0.05791 189 4YZ -0.09325 0.01359 -0.10204 0.01153 -0.24727 151 152 153 154 155 V V V V V Eigenvalues -- 2.25488 2.26203 2.27988 2.29194 2.30960 1 1 C 1S -0.00533 -0.02238 0.00026 0.01261 0.02772 2 2S -0.29611 -0.28936 -0.03811 0.17037 0.54320 3 2PX 0.06237 -0.02095 0.01861 0.03321 -0.11277 4 2PY 0.06912 -0.02388 0.03762 0.04658 0.05125 5 2PZ -0.07944 -0.02838 0.01435 0.04481 0.11646 6 3S 0.32326 3.02018 -0.05373 -1.29098 -2.45032 7 3PX -0.23261 -0.87960 0.07255 0.80774 1.07110 8 3PY -0.03556 -1.01076 -0.01015 0.62416 0.85806 9 3PZ 0.03718 1.37630 -0.03876 -0.43953 -0.91814 10 4XX 0.14069 -0.20811 -0.13572 -0.32786 -0.16241 11 4YY 0.15654 0.06695 0.10492 -0.06415 0.03679 12 4ZZ -0.28942 0.20355 0.00974 0.34043 0.12941 13 4XY -0.02784 0.01989 0.03282 -0.34216 -0.02162 14 4XZ -0.10422 -0.02013 0.02592 0.00221 0.17969 15 4YZ -0.08141 0.06050 0.05733 -0.30655 -0.22892 16 2 C 1S -0.00533 0.02238 0.00026 -0.01261 -0.02773 17 2S -0.29614 0.28936 -0.03812 -0.17038 -0.54323 18 2PX 0.06237 0.02095 0.01861 -0.03321 0.11278 19 2PY -0.06911 -0.02387 -0.03762 0.04658 0.05123 20 2PZ -0.07944 0.02837 0.01434 -0.04480 -0.11645 21 3S 0.32355 -3.02015 -0.05376 1.29101 2.45039 22 3PX -0.23270 0.87960 0.07251 -0.80776 -1.07113 23 3PY 0.03565 -1.01071 0.01016 0.62414 0.85804 24 3PZ 0.03729 -1.37631 -0.03879 0.43956 0.91820 25 4XX 0.14069 0.20815 -0.13567 0.32786 0.16232 26 4YY 0.15655 -0.06697 0.10492 0.06416 -0.03675 27 4ZZ -0.28942 -0.20357 0.00969 -0.34043 -0.12938 28 4XY 0.02784 0.01990 -0.03285 -0.34215 -0.02162 29 4XZ -0.10423 0.02012 0.02592 -0.00221 -0.17970 30 4YZ 0.08141 0.06053 -0.05735 -0.30654 -0.22895 31 3 C 1S 0.00560 -0.02999 -0.00758 0.00581 0.01776 32 2S 0.15857 -0.63338 -0.02563 0.14982 0.21037 33 2PX -0.02934 0.06883 -0.00081 -0.06028 -0.14270 34 2PY 0.01444 -0.11307 0.00625 -0.00791 -0.01617 35 2PZ 0.04413 -0.04551 -0.00843 0.01433 0.14959 36 3S -0.43827 2.75505 0.11662 -1.10698 -1.60909 37 3PX 0.19207 0.53710 -0.00364 0.18819 0.05110 38 3PY 0.15362 1.82946 0.18183 -0.50883 -0.87187 39 3PZ 0.23940 0.43078 -0.01532 0.01476 -0.25095 40 4XX 0.18971 0.06236 -0.12233 0.13263 0.09667 41 4YY -0.33458 -0.21227 -0.07681 -0.03796 -0.09345 42 4ZZ 0.11975 0.24614 0.19512 -0.14491 -0.08882 43 4XY 0.27578 0.29438 0.03594 0.05693 0.13905 44 4XZ 0.10740 0.20829 0.09795 -0.04931 -0.20226 45 4YZ 0.11973 0.14943 -0.08337 0.22448 -0.12065 46 4 C 1S 0.00902 0.04518 -0.00307 -0.00477 0.00359 47 2S 0.01612 0.23788 -0.13687 -0.32438 0.38990 48 2PX 0.04407 -0.02994 0.02812 0.03932 -0.02857 49 2PY 0.02304 -0.00245 0.01277 -0.05412 0.02514 50 2PZ 0.00960 0.12396 0.05873 0.04401 -0.13818 51 3S -0.07805 -2.46513 0.15428 0.95021 -0.09807 52 3PX -0.00313 -0.42872 -0.12917 -0.40309 0.46819 53 3PY -0.03183 -0.59313 -0.02655 0.00665 -0.10951 54 3PZ 0.13613 0.41319 -0.03968 -0.34846 -0.10709 55 4XX -0.18302 -0.12509 -0.03190 0.22139 -0.14642 56 4YY 0.02474 -0.09673 -0.04739 -0.13079 0.09722 57 4ZZ 0.18513 0.22751 0.11096 -0.00529 -0.02676 58 4XY -0.12622 0.41837 0.00492 -0.10460 -0.03537 59 4XZ 0.45746 0.18547 0.21470 -0.01864 -0.21799 60 4YZ -0.10122 0.11234 -0.04533 0.03132 -0.12412 61 5 C 1S 0.00902 -0.04518 -0.00307 0.00477 -0.00359 62 2S 0.01612 -0.23787 -0.13687 0.32440 -0.38985 63 2PX 0.04408 0.02994 0.02812 -0.03933 0.02857 64 2PY -0.02304 -0.00244 -0.01278 -0.05412 0.02513 65 2PZ 0.00961 -0.12397 0.05873 -0.04402 0.13818 66 3S -0.07818 2.46516 0.15433 -0.95022 0.09804 67 3PX -0.00318 0.42874 -0.12913 0.40309 -0.46819 68 3PY 0.03185 -0.59311 0.02651 0.00663 -0.10952 69 3PZ 0.13613 -0.41321 -0.03968 0.34845 0.10708 70 4XX -0.18302 0.12506 -0.03190 -0.22138 0.14643 71 4YY 0.02473 0.09673 -0.04738 0.13078 -0.09725 72 4ZZ 0.18514 -0.22749 0.11094 0.00529 0.02677 73 4XY 0.12619 0.41842 -0.00491 -0.10461 -0.03540 74 4XZ 0.45750 -0.18545 0.21469 0.01863 0.21798 75 4YZ 0.10120 0.11235 0.04533 0.03132 -0.12411 76 6 C 1S 0.00560 0.03000 -0.00758 -0.00581 -0.01775 77 2S 0.15852 0.63340 -0.02562 -0.14982 -0.21036 78 2PX -0.02933 -0.06883 -0.00081 0.06028 0.14269 79 2PY -0.01443 -0.11307 -0.00625 -0.00791 -0.01617 80 2PZ 0.04412 0.04551 -0.00844 -0.01433 -0.14959 81 3S -0.43804 -2.75514 0.11659 1.10696 1.60904 82 3PX 0.19211 -0.53714 -0.00369 -0.18819 -0.05112 83 3PY -0.15378 1.82950 -0.18179 -0.50881 -0.87181 84 3PZ 0.23942 -0.43071 -0.01534 -0.01478 0.25091 85 4XX 0.18972 -0.06233 -0.12235 -0.13265 -0.09675 86 4YY -0.33460 0.21227 -0.07680 0.03796 0.09347 87 4ZZ 0.11976 -0.24617 0.19512 0.14493 0.08888 88 4XY -0.27579 0.29437 -0.03591 0.05693 0.13905 89 4XZ 0.10741 -0.20829 0.09794 0.04931 0.20230 90 4YZ -0.11974 0.14942 0.08339 0.22449 -0.12059 91 7 H 1S -0.03568 0.08592 0.01518 -0.16552 -0.11643 92 2S 0.05435 0.44744 -0.03305 -0.25774 -0.33515 93 8 H 1S -0.03567 -0.08593 0.01520 0.16552 0.11643 94 2S 0.05439 -0.44743 -0.03305 0.25775 0.33516 95 9 H 1S 0.24477 0.21674 0.06751 -0.00610 0.01336 96 2S 0.10026 0.41326 0.06041 -0.08693 -0.18089 97 10 H 1S 0.26133 0.06711 0.05970 -0.20436 0.07157 98 2S -0.12487 -0.01800 -0.17063 -0.13567 0.21294 99 11 H 1S 0.26134 -0.06708 0.05971 0.20434 -0.07159 100 2S -0.12488 0.01799 -0.17061 0.13568 -0.21291 101 12 H 1S 0.24478 -0.21674 0.06749 0.00610 -0.01337 102 2S 0.10030 -0.41326 0.06040 0.08692 0.18086 103 13 H 1S -0.26818 -0.19087 -0.11778 0.03163 -0.08332 104 2S 0.02700 -0.06603 0.08276 -0.08541 0.11638 105 14 H 1S -0.26818 0.19085 -0.11777 -0.03161 0.08333 106 2S 0.02697 0.06601 0.08276 0.08541 -0.11637 107 15 C 1S 0.00307 0.00000 -0.01734 0.00000 0.00000 108 2S 0.02639 0.00000 -0.22521 0.00001 0.00002 109 2PX -0.01468 0.00000 0.00265 0.00000 0.00000 110 2PY 0.00000 0.02986 0.00000 -0.02849 -0.00322 111 2PZ 0.00715 0.00000 -0.00542 0.00000 0.00000 112 3S -0.14823 -0.00002 0.59244 -0.00002 -0.00003 113 3PX -0.09936 -0.00001 0.38701 -0.00001 -0.00003 114 3PY 0.00000 -0.00449 0.00001 0.05827 -0.00059 115 3PZ -0.03670 0.00001 -0.23912 0.00001 0.00001 116 4XX -0.05849 0.00000 0.22092 -0.00001 -0.00001 117 4YY -0.02486 -0.00001 0.17276 0.00000 -0.00001 118 4ZZ 0.08604 0.00001 -0.39365 0.00002 0.00002 119 4XY 0.00001 -0.12309 -0.00001 -0.12022 -0.18028 120 4XZ 0.07839 0.00001 -0.33369 0.00001 0.00001 121 4YZ 0.00001 -0.11205 0.00000 -0.20560 -0.11489 122 16 C 1S -0.00916 0.00586 0.01447 0.00437 -0.03590 123 2S -0.06263 0.06713 0.41273 0.33254 -0.81789 124 2PX 0.03247 0.02030 -0.01621 -0.05082 0.11573 125 2PY 0.01076 0.02200 0.15949 -0.00244 0.05845 126 2PZ -0.00217 -0.04079 0.03541 0.10875 -0.22823 127 3S 0.24804 -0.58120 -0.42795 -0.88494 3.33691 128 3PX -0.02455 -0.12306 0.08103 0.32836 -0.96839 129 3PY -0.10544 -0.24365 -0.23398 -0.65570 1.54197 130 3PZ 0.16591 -0.03414 -0.40230 -0.37792 1.83977 131 4XX -0.08602 -0.02574 0.33002 -0.17200 0.14959 132 4YY -0.02624 0.01457 -0.20866 0.01942 0.02529 133 4ZZ 0.10189 -0.01313 -0.14995 0.10848 -0.07810 134 4XY -0.03440 -0.03350 0.04767 -0.01952 -0.00126 135 4XZ 0.00411 -0.14637 0.16192 0.20564 -0.20447 136 4YZ -0.08965 -0.07223 0.14664 -0.02125 -0.06594 137 17 C 1S -0.00916 -0.00586 0.01448 -0.00437 0.03590 138 2S -0.06259 -0.06717 0.41273 -0.33257 0.81785 139 2PX 0.03248 -0.02030 -0.01622 0.05082 -0.11573 140 2PY -0.01076 0.02201 -0.15948 -0.00242 0.05847 141 2PZ -0.00217 0.04078 0.03541 -0.10875 0.22823 142 3S 0.24786 0.58124 -0.42797 0.88498 -3.33687 143 3PX -0.02454 0.12305 0.08104 -0.32836 0.96838 144 3PY 0.10551 -0.24367 0.23398 -0.65572 1.54200 145 3PZ 0.16585 0.03417 -0.40232 0.37792 -1.83968 146 4XX -0.08604 0.02572 0.33002 0.17197 -0.14962 147 4YY -0.02625 -0.01455 -0.20866 -0.01940 -0.02526 148 4ZZ 0.10190 0.01314 -0.14996 -0.10847 0.07811 149 4XY 0.03441 -0.03350 -0.04768 -0.01951 -0.00126 150 4XZ 0.00410 0.14637 0.16193 -0.20566 0.20445 151 4YZ 0.08965 -0.07222 -0.14665 -0.02123 -0.06593 152 18 H 1S -0.04259 -0.00001 0.21636 -0.00001 -0.00001 153 2S 0.10819 0.00000 -0.07880 0.00001 0.00000 154 19 H 1S 0.00903 0.01747 -0.00118 -0.06380 0.22737 155 2S 0.01747 0.05180 -0.15353 -0.23134 0.60887 156 20 H 1S 0.00903 -0.01747 -0.00118 0.06379 -0.22737 157 2S 0.01745 -0.05178 -0.15353 0.23134 -0.60885 158 21 H 1S -0.00464 0.00000 -0.01868 0.00000 0.00000 159 2S -0.02719 0.00000 0.07718 0.00000 -0.00001 160 22 O 1S 0.00068 -0.00382 0.01180 0.01385 -0.02468 161 2S 0.02156 0.11117 -0.11456 -0.16138 -0.08526 162 2PX -0.01404 0.03729 -0.00228 -0.11124 0.07202 163 2PY -0.00736 -0.03275 0.05182 0.05838 -0.06713 164 2PZ -0.00965 -0.02407 -0.05035 0.03604 -0.09268 165 3S -0.11258 -0.14855 0.07803 -0.08765 1.26655 166 3PX -0.04684 -0.03957 0.20898 0.15689 0.32669 167 3PY -0.01692 0.08058 0.02034 0.01624 -0.15831 168 3PZ 0.04910 0.03899 0.01841 0.01352 0.02187 169 4XX -0.15579 -0.05813 0.44486 0.02993 -0.07603 170 4YY 0.03045 0.00526 -0.04905 -0.04239 -0.07275 171 4ZZ 0.13767 0.06472 -0.35879 0.02554 0.06386 172 4XY -0.02974 -0.06693 0.10009 -0.11047 -0.04009 173 4XZ -0.03549 0.02324 0.13976 -0.11856 0.32517 174 4YZ 0.01272 -0.07511 0.01344 -0.13124 -0.08712 175 23 O 1S 0.00068 0.00382 0.01180 -0.01385 0.02468 176 2S 0.02157 -0.11116 -0.11456 0.16139 0.08528 177 2PX -0.01404 -0.03728 -0.00228 0.11124 -0.07202 178 2PY 0.00736 -0.03275 -0.05182 0.05839 -0.06713 179 2PZ -0.00965 0.02408 -0.05035 -0.03604 0.09269 180 3S -0.11263 0.14854 0.07801 0.08764 -1.26656 181 3PX -0.04685 0.03955 0.20897 -0.15691 -0.32670 182 3PY 0.01691 0.08059 -0.02034 0.01624 -0.15831 183 3PZ 0.04911 -0.03899 0.01841 -0.01352 -0.02186 184 4XX -0.15579 0.05810 0.44486 -0.02996 0.07599 185 4YY 0.03045 -0.00525 -0.04905 0.04239 0.07276 186 4ZZ 0.13767 -0.06470 -0.35880 -0.02552 -0.06382 187 4XY 0.02976 -0.06693 -0.10010 -0.11047 -0.04006 188 4XZ -0.03549 -0.02325 0.13975 0.11855 -0.32518 189 4YZ -0.01271 -0.07511 -0.01344 -0.13123 -0.08710 156 157 158 159 160 V V V V V Eigenvalues -- 2.31854 2.37118 2.40151 2.43437 2.44809 1 1 C 1S 0.01658 -0.00558 -0.00278 0.03284 0.01159 2 2S 0.20377 -0.04845 -0.02197 0.20613 0.07414 3 2PX -0.04270 -0.07418 0.03289 -0.12597 -0.00407 4 2PY -0.14729 0.04616 -0.07463 0.16088 0.02592 5 2PZ -0.05279 0.04206 -0.00969 0.08318 0.00889 6 3S -0.48713 1.15345 0.53337 0.60586 -0.43415 7 3PX 0.10939 -0.29314 -0.32169 -0.39650 0.15611 8 3PY 0.08648 -0.70951 -0.16989 0.16580 -0.10229 9 3PZ -0.24536 0.28089 0.36039 0.42471 -0.10989 10 4XX 0.43972 0.02156 0.22370 0.14440 -0.07999 11 4YY -0.22124 0.03270 0.03912 -0.25347 0.08816 12 4ZZ -0.16259 0.01997 -0.27727 0.13178 -0.01207 13 4XY -0.06901 0.17701 -0.44802 0.15913 -0.02555 14 4XZ 0.12291 0.08330 0.11311 0.29237 0.14924 15 4YZ -0.15358 -0.04236 -0.19937 0.12967 0.07029 16 2 C 1S 0.01657 0.00558 0.00278 -0.03285 0.01159 17 2S 0.20365 0.04845 0.02197 -0.20615 0.07412 18 2PX -0.04269 0.07418 -0.03289 0.12596 -0.00406 19 2PY 0.14730 0.04616 -0.07464 0.16089 -0.02590 20 2PZ -0.05281 -0.04206 0.00969 -0.08317 0.00888 21 3S -0.48646 -1.15343 -0.53335 -0.60558 -0.43422 22 3PX 0.10912 0.29315 0.32169 0.39640 0.15615 23 3PY -0.08621 -0.70950 -0.16987 0.16574 0.10229 24 3PZ -0.24511 -0.28090 -0.36038 -0.42463 -0.10993 25 4XX 0.43975 -0.02156 -0.22369 -0.14438 -0.08001 26 4YY -0.22125 -0.03270 -0.03912 0.25342 0.08819 27 4ZZ -0.16261 -0.01997 0.27726 -0.13176 -0.01208 28 4XY 0.06899 0.17701 -0.44803 0.15911 0.02555 29 4XZ 0.12288 -0.08330 -0.11312 -0.29248 0.14921 30 4YZ 0.15352 -0.04235 -0.19938 0.12971 -0.07027 31 3 C 1S -0.01282 -0.00980 0.01346 -0.05962 -0.02219 32 2S -0.11698 -0.49822 -0.39343 -1.20369 -0.07155 33 2PX 0.04364 0.06016 0.08595 -0.02546 -0.00560 34 2PY -0.03140 -0.14162 -0.11426 -0.20238 0.03016 35 2PZ -0.01819 -0.05726 -0.20370 0.13362 0.04882 36 3S 0.57048 0.59621 0.55170 3.64545 0.75361 37 3PX 0.12464 -0.09676 -0.11130 -0.01004 0.11026 38 3PY 0.33307 0.76927 0.42861 1.91310 0.19463 39 3PZ 0.10544 -0.00656 -0.15127 0.47520 0.09173 40 4XX 0.39089 0.17612 -0.12077 0.05191 -0.25157 41 4YY -0.00080 -0.20290 0.13982 0.05685 0.21198 42 4ZZ -0.38195 0.08510 0.12902 0.08237 0.04066 43 4XY 0.03375 0.06826 -0.11107 -0.02405 0.08590 44 4XZ -0.19115 0.00709 0.08926 -0.23901 -0.05740 45 4YZ 0.31887 -0.21509 -0.07687 0.14041 0.09949 46 4 C 1S 0.00908 -0.03635 -0.01019 0.08725 0.01632 47 2S -0.14242 -0.30694 -0.04539 0.54258 0.09277 48 2PX -0.00444 0.07041 -0.01123 0.00267 -0.01846 49 2PY -0.05591 0.08806 0.06829 -0.06175 0.01348 50 2PZ 0.02261 0.08783 0.01363 0.13748 0.05359 51 3S -0.08265 0.74599 0.00303 -4.01298 -0.50349 52 3PX 0.06764 -0.12555 0.19949 -0.77289 -0.05965 53 3PY 0.01935 0.46710 -0.08519 -0.99680 0.07669 54 3PZ 0.13273 -0.51257 -0.12054 1.13478 0.18704 55 4XX 0.00199 -0.41697 -0.31073 0.37325 0.09000 56 4YY 0.18374 0.17468 0.12082 -0.21783 0.05232 57 4ZZ -0.13459 0.23391 0.15815 -0.14915 -0.13859 58 4XY -0.13980 -0.32194 -0.11036 -0.11692 0.03277 59 4XZ -0.02852 0.05786 -0.08459 -0.01656 0.14653 60 4YZ 0.06191 -0.28818 0.41435 0.14897 -0.03410 61 5 C 1S 0.00908 0.03635 0.01019 -0.08726 0.01631 62 2S -0.14246 0.30693 0.04538 -0.54264 0.09272 63 2PX -0.00443 -0.07041 0.01123 -0.00265 -0.01846 64 2PY 0.05592 0.08806 0.06829 -0.06173 -0.01349 65 2PZ 0.02264 -0.08783 -0.01362 -0.13751 0.05358 66 3S -0.08278 -0.74594 -0.00301 4.01328 -0.50309 67 3PX 0.06758 0.12556 -0.19949 0.77289 -0.05958 68 3PY -0.01935 0.46709 -0.08519 -0.99673 -0.07680 69 3PZ 0.13278 0.51257 0.12053 -1.13502 0.18692 70 4XX 0.00199 0.41695 0.31073 -0.37331 0.08997 71 4YY 0.18373 -0.17466 -0.12084 0.21778 0.05234 72 4ZZ -0.13457 -0.23391 -0.15812 0.14926 -0.13858 73 4XY 0.13976 -0.32192 -0.11037 -0.11693 -0.03278 74 4XZ -0.02846 -0.05788 0.08458 0.01645 0.14651 75 4YZ -0.06192 -0.28818 0.41435 0.14893 0.03412 76 6 C 1S -0.01283 0.00980 -0.01345 0.05964 -0.02219 77 2S -0.11704 0.49824 0.39345 1.20374 -0.07143 78 2PX 0.04368 -0.06015 -0.08595 0.02546 -0.00559 79 2PY 0.03141 -0.14162 -0.11427 -0.20234 -0.03019 80 2PZ -0.01822 0.05725 0.20369 -0.13366 0.04881 81 3S 0.57093 -0.59629 -0.55177 -3.64605 0.75326 82 3PX 0.12466 0.09676 0.11130 0.00996 0.11026 83 3PY -0.33333 0.76928 0.42862 1.91325 -0.19444 84 3PZ 0.10550 0.00657 0.15129 -0.47520 0.09167 85 4XX 0.39086 -0.17611 0.12077 -0.05178 -0.25157 86 4YY -0.00079 0.20291 -0.13983 -0.05699 0.21198 87 4ZZ -0.38193 -0.08512 -0.12901 -0.08235 0.04065 88 4XY -0.03373 0.06825 -0.11106 -0.02399 -0.08591 89 4XZ -0.19111 -0.00708 -0.08925 0.23907 -0.05737 90 4YZ -0.31888 -0.21508 -0.07687 0.14049 -0.09947 91 7 H 1S 0.02358 0.00508 0.18322 0.13566 0.11061 92 2S -0.04912 0.19336 0.09160 0.02039 -0.03308 93 8 H 1S 0.02361 -0.00509 -0.18322 -0.13573 0.11060 94 2S -0.04902 -0.19335 -0.09159 -0.02037 -0.03309 95 9 H 1S -0.02992 0.21468 -0.02762 0.01707 -0.15599 96 2S 0.11514 0.17118 0.11876 0.36939 0.05453 97 10 H 1S 0.09812 0.23938 0.21533 0.05899 -0.02837 98 2S -0.04164 -0.08102 -0.02159 -0.20928 0.13073 99 11 H 1S 0.09812 -0.23936 -0.21533 -0.05900 -0.02838 100 2S -0.04166 0.08100 0.02159 0.20928 0.13075 101 12 H 1S -0.02991 -0.21467 0.02762 -0.01696 -0.15600 102 2S 0.11520 -0.17117 -0.11875 -0.36942 0.05450 103 13 H 1S -0.00841 0.12716 -0.10411 -0.23189 -0.01631 104 2S -0.08649 -0.28072 0.06000 -0.08818 0.01992 105 14 H 1S -0.00839 -0.12717 0.10411 0.23194 -0.01629 106 2S -0.08650 0.28072 -0.06000 0.08820 0.01993 107 15 C 1S -0.00229 0.00000 0.00000 0.00000 0.00406 108 2S -0.17420 0.00000 0.00001 0.00003 -0.01202 109 2PX -0.05152 0.00000 0.00000 0.00001 -0.03022 110 2PY 0.00000 0.00367 0.01965 -0.01621 0.00000 111 2PZ 0.02229 0.00000 0.00000 -0.00001 -0.00129 112 3S 0.19942 -0.00001 -0.00001 0.00000 -0.14572 113 3PX 0.24701 0.00000 -0.00001 -0.00003 -0.04781 114 3PY 0.00000 0.03440 -0.01721 -0.10848 -0.00001 115 3PZ 0.02400 0.00000 0.00000 -0.00002 0.23882 116 4XX 0.14740 0.00000 0.00000 0.00003 0.64475 117 4YY 0.08174 0.00000 0.00000 0.00000 0.01963 118 4ZZ -0.19881 0.00000 0.00000 -0.00004 -0.64587 119 4XY -0.00002 -0.06847 -0.09075 -0.15304 -0.00001 120 4XZ -0.06397 0.00000 0.00000 -0.00001 0.10451 121 4YZ -0.00001 -0.12410 -0.08203 -0.03671 0.00001 122 16 C 1S 0.00622 0.02961 0.01475 0.03475 0.00274 123 2S 0.11075 0.67438 0.06287 0.35741 -0.06175 124 2PX 0.00153 -0.02422 0.06266 -0.00332 0.01799 125 2PY 0.04708 -0.04965 -0.03671 -0.07572 0.00727 126 2PZ -0.00427 0.14796 -0.03060 0.01443 -0.01525 127 3S -0.18648 -2.73313 -0.64418 -1.86928 -0.02109 128 3PX 0.07580 0.45868 -0.12497 -0.26805 0.16560 129 3PY -0.06583 -1.25624 -0.13868 -0.59237 -0.04433 130 3PZ -0.14890 -1.20177 -0.05239 -0.40876 0.02855 131 4XX 0.09642 -0.22702 -0.02321 0.08740 -0.28038 132 4YY -0.05340 -0.02312 -0.04601 -0.07928 0.03300 133 4ZZ -0.04820 0.14144 0.06394 -0.03180 0.26986 134 4XY 0.01203 0.07965 0.09014 0.17188 -0.04703 135 4XZ 0.07019 0.02419 -0.06038 -0.10258 -0.01964 136 4YZ 0.05570 0.06457 0.06179 0.15490 0.00568 137 17 C 1S 0.00623 -0.02961 -0.01475 -0.03475 0.00274 138 2S 0.11088 -0.67439 -0.06288 -0.35738 -0.06180 139 2PX 0.00151 0.02422 -0.06266 0.00333 0.01799 140 2PY -0.04707 -0.04965 -0.03671 -0.07572 -0.00728 141 2PZ -0.00424 -0.14796 0.03059 -0.01443 -0.01525 142 3S -0.18705 2.73314 0.64420 1.86931 -0.02088 143 3PX 0.07597 -0.45868 0.12497 0.26804 0.16562 144 3PY 0.06611 -1.25627 -0.13868 -0.59238 0.04424 145 3PZ -0.14923 1.20173 0.05240 0.40874 0.02861 146 4XX 0.09639 0.22703 0.02321 -0.08741 -0.28038 147 4YY -0.05340 0.02311 0.04601 0.07926 0.03301 148 4ZZ -0.04819 -0.14144 -0.06394 0.03180 0.26986 149 4XY -0.01203 0.07965 0.09014 0.17187 0.04705 150 4XZ 0.07022 -0.02418 0.06039 0.10258 -0.01963 151 4YZ -0.05572 0.06458 0.06179 0.15490 -0.00567 152 18 H 1S 0.07227 0.00000 0.00000 0.00002 0.33265 153 2S -0.08983 0.00001 0.00000 0.00000 -0.28897 154 19 H 1S -0.01163 -0.15674 0.01285 0.00697 -0.11077 155 2S -0.03597 -0.40363 0.02571 -0.00617 0.03435 156 20 H 1S -0.01168 0.15674 -0.01285 -0.00697 -0.11076 157 2S -0.03608 0.40363 -0.02571 0.00617 0.03436 158 21 H 1S -0.02666 0.00000 0.00000 -0.00002 -0.34734 159 2S 0.11126 0.00000 0.00000 -0.00001 0.17198 160 22 O 1S -0.00067 0.01629 0.00068 -0.01017 -0.01356 161 2S -0.09056 0.07083 0.09543 0.11039 -0.05388 162 2PX 0.00606 -0.05280 0.02078 0.05448 0.04951 163 2PY 0.02228 0.02580 -0.02712 -0.03276 0.00413 164 2PZ -0.01243 0.02569 -0.02204 0.01992 0.03764 165 3S 0.17927 -0.84518 -0.19602 -0.22129 0.33976 166 3PX 0.06592 -0.13218 -0.06453 -0.21249 -0.13767 167 3PY -0.04565 0.16204 0.07938 0.05652 -0.15549 168 3PZ -0.04355 0.05419 0.06390 -0.05574 -0.23227 169 4XX 0.15017 0.03315 -0.03747 -0.22018 -0.18479 170 4YY 0.01112 0.01457 -0.00467 0.03525 0.04265 171 4ZZ -0.17868 0.02763 0.06714 0.15262 0.07305 172 4XY 0.08729 -0.09228 -0.03306 -0.02672 0.24408 173 4XZ 0.02551 -0.17215 0.04471 -0.16067 -0.10056 174 4YZ 0.04776 -0.10957 -0.07846 -0.03255 0.35405 175 23 O 1S -0.00066 -0.01630 -0.00068 0.01017 -0.01356 176 2S -0.09054 -0.07083 -0.09543 -0.11037 -0.05388 177 2PX 0.00606 0.05280 -0.02078 -0.05448 0.04951 178 2PY -0.02229 0.02580 -0.02712 -0.03276 -0.00413 179 2PZ -0.01242 -0.02569 0.02204 -0.01992 0.03763 180 3S 0.17903 0.84518 0.19602 0.22126 0.33978 181 3PX 0.06585 0.13217 0.06453 0.21250 -0.13765 182 3PY 0.04562 0.16204 0.07938 0.05650 0.15550 183 3PZ -0.04356 -0.05419 -0.06390 0.05574 -0.23225 184 4XX 0.15019 -0.03314 0.03747 0.22019 -0.18477 185 4YY 0.01113 -0.01457 0.00467 -0.03526 0.04266 186 4ZZ -0.17870 -0.02764 -0.06714 -0.15261 0.07302 187 4XY -0.08730 -0.09229 -0.03306 -0.02674 -0.24409 188 4XZ 0.02545 0.17215 -0.04471 0.16067 -0.10053 189 4YZ -0.04777 -0.10957 -0.07846 -0.03258 -0.35405 161 162 163 164 165 V V V V V Eigenvalues -- 2.45144 2.48408 2.52227 2.54538 2.59890 1 1 C 1S 0.02264 -0.00317 0.00734 -0.00397 0.00821 2 2S 0.09619 0.06936 0.30699 -0.10884 0.07332 3 2PX 0.01342 -0.02449 -0.06989 0.07491 0.03988 4 2PY 0.00949 0.00227 0.00295 -0.03044 -0.07362 5 2PZ -0.00577 0.00907 0.05346 -0.03731 -0.03024 6 3S -0.79963 0.16808 -0.41305 -0.71833 -0.26768 7 3PX 0.29669 -0.11888 0.28558 0.31735 0.12908 8 3PY -0.16625 0.05133 0.02278 -0.10358 0.01887 9 3PZ -0.25894 0.17669 -0.13658 -0.37561 -0.06726 10 4XX -0.06636 -0.00702 -0.09888 -0.04645 -0.02800 11 4YY 0.12607 0.01313 0.00122 0.04093 -0.06568 12 4ZZ -0.05628 -0.02217 0.01877 0.00885 0.08420 13 4XY -0.02820 -0.08751 -0.08447 -0.05402 0.08151 14 4XZ 0.31996 -0.02693 0.11483 -0.08580 0.00746 15 4YZ 0.07912 -0.10159 -0.01049 0.01103 -0.03904 16 2 C 1S 0.02263 0.00317 -0.00734 0.00397 0.00821 17 2S 0.09612 -0.06937 -0.30699 0.10883 0.07334 18 2PX 0.01346 0.02449 0.06988 -0.07491 0.03988 19 2PY -0.00944 0.00227 0.00295 -0.03045 0.07362 20 2PZ -0.00579 -0.00907 -0.05346 0.03731 -0.03023 21 3S -0.79980 -0.16805 0.41306 0.71838 -0.26774 22 3PX 0.29679 0.11887 -0.28559 -0.31737 0.12910 23 3PY 0.16631 0.05134 0.02277 -0.10360 -0.01888 24 3PZ -0.25906 -0.17667 0.13659 0.37562 -0.06729 25 4XX -0.06641 0.00702 0.09889 0.04646 -0.02799 26 4YY 0.12615 -0.01313 -0.00123 -0.04093 -0.06569 27 4ZZ -0.05633 0.02217 -0.01878 -0.00886 0.08420 28 4XY 0.02823 -0.08752 -0.08446 -0.05401 -0.08151 29 4XZ 0.31987 0.02692 -0.11484 0.08578 0.00747 30 4YZ -0.07907 -0.10159 -0.01049 0.01103 0.03904 31 3 C 1S -0.05674 -0.01409 -0.02278 0.01260 -0.00751 32 2S -0.15202 -0.27720 -0.29589 0.67658 -0.01992 33 2PX 0.01061 0.03314 -0.00382 0.00817 0.03731 34 2PY 0.07940 -0.03917 -0.06413 0.15927 0.00594 35 2PZ 0.07214 -0.04801 0.08622 0.03366 -0.02232 36 3S 1.68623 0.51974 0.92563 -1.33193 0.15560 37 3PX 0.09747 -0.08494 -0.32165 -0.36665 0.06651 38 3PY 0.42801 0.12765 0.48774 -0.98453 0.15567 39 3PZ 0.16951 -0.24168 0.24971 0.14867 -0.07564 40 4XX -0.37534 0.05331 -0.01641 -0.11722 0.03211 41 4YY 0.36607 -0.02816 0.03788 0.00352 -0.18671 42 4ZZ -0.02307 0.01894 -0.00731 -0.07043 0.15722 43 4XY 0.17735 0.01731 0.06976 0.04210 -0.02846 44 4XZ -0.17505 0.02670 -0.10182 0.03907 -0.09886 45 4YZ 0.21354 -0.08786 0.12825 0.10911 -0.05451 46 4 C 1S 0.02643 -0.01996 0.05256 0.00482 0.00355 47 2S 0.16751 -0.23767 0.42392 0.09522 -0.24071 48 2PX -0.05139 0.01961 -0.03156 -0.04953 0.03302 49 2PY 0.04566 0.03116 -0.05660 -0.04511 -0.03160 50 2PZ 0.06999 0.02883 -0.01277 -0.09537 0.10859 51 3S -0.78702 0.74651 -2.12653 0.32401 0.06817 52 3PX -0.02834 -0.09968 0.48380 0.90809 -0.19650 53 3PY 0.06980 0.27879 -0.64359 0.11159 0.08518 54 3PZ 0.54491 -0.24594 0.90340 0.32873 -0.21697 55 4XX 0.16203 -0.09300 0.01367 -0.04859 0.08430 56 4YY 0.09001 0.09076 -0.18752 -0.10949 0.01265 57 4ZZ -0.25591 0.03808 0.15191 0.14387 -0.00203 58 4XY -0.03654 -0.02023 -0.32908 -0.16393 0.06085 59 4XZ 0.31666 -0.09022 0.41005 0.42647 -0.02382 60 4YZ -0.10877 -0.03781 0.06746 -0.10375 -0.03727 61 5 C 1S 0.02640 0.01996 -0.05256 -0.00482 0.00355 62 2S 0.16733 0.23766 -0.42392 -0.09522 -0.24071 63 2PX -0.05138 -0.01961 0.03156 0.04953 0.03302 64 2PY -0.04568 0.03116 -0.05660 -0.04511 0.03160 65 2PZ 0.06995 -0.02883 0.01276 0.09535 0.10859 66 3S -0.78573 -0.74647 2.12657 -0.32396 0.06811 67 3PX -0.02813 0.09968 -0.48381 -0.90808 -0.19652 68 3PY -0.07014 0.27879 -0.64355 0.11161 -0.08515 69 3PZ 0.54452 0.24593 -0.90344 -0.32874 -0.21695 70 4XX 0.16193 0.09300 -0.01369 0.04857 0.08430 71 4YY 0.09007 -0.09076 0.18752 0.10949 0.01264 72 4ZZ -0.25587 -0.03807 -0.15188 -0.14385 -0.00203 73 4XY 0.03648 -0.02023 -0.32906 -0.16392 -0.06084 74 4XZ 0.31663 0.09021 -0.41007 -0.42650 -0.02382 75 4YZ 0.10882 -0.03782 0.06748 -0.10374 0.03728 76 6 C 1S -0.05672 0.01409 0.02278 -0.01260 -0.00751 77 2S -0.15164 0.27721 0.29590 -0.67657 -0.01995 78 2PX 0.01062 -0.03314 0.00382 -0.00818 0.03730 79 2PY -0.07946 -0.03917 -0.06413 0.15927 -0.00593 80 2PZ 0.07209 0.04800 -0.08622 -0.03366 -0.02232 81 3S 1.68510 -0.51981 -0.92569 1.33182 0.15561 82 3PX 0.09751 0.08494 0.32164 0.36667 0.06650 83 3PY -0.42742 0.12766 0.48776 -0.98449 -0.15569 84 3PZ 0.16933 0.24168 -0.24970 -0.14872 -0.07564 85 4XX -0.37535 -0.05331 0.01643 0.11724 0.03211 86 4YY 0.36606 0.02815 -0.03789 -0.00353 -0.18672 87 4ZZ -0.02310 -0.01895 0.00730 0.07042 0.15724 88 4XY -0.17737 0.01732 0.06977 0.04211 0.02847 89 4XZ -0.17498 -0.02670 0.10183 -0.03905 -0.09886 90 4YZ -0.21348 -0.08785 0.12825 0.10911 0.05449 91 7 H 1S 0.19042 -0.00536 0.05265 -0.03156 -0.03708 92 2S -0.08712 0.06931 -0.08894 -0.07045 -0.00642 93 8 H 1S 0.19037 0.00535 -0.05265 0.03156 -0.03708 94 2S -0.08713 -0.06930 0.08894 0.07045 -0.00643 95 9 H 1S -0.32044 -0.03199 -0.05155 -0.09859 0.11050 96 2S 0.12309 0.03066 0.11478 -0.25484 0.02787 97 10 H 1S 0.07929 -0.01582 0.46449 0.31673 -0.11704 98 2S -0.05456 -0.09445 -0.07204 0.10226 0.06666 99 11 H 1S 0.07925 0.01581 -0.46449 -0.31673 -0.11704 100 2S -0.05449 0.09444 0.07204 -0.10225 0.06665 101 12 H 1S -0.32044 0.03200 0.05155 0.09860 0.11050 102 2S 0.12298 -0.03066 -0.11478 0.25484 0.02788 103 13 H 1S -0.13324 -0.02074 0.28851 0.42930 0.03839 104 2S -0.06033 -0.07881 0.13407 0.20610 0.15175 105 14 H 1S -0.13319 0.02074 -0.28851 -0.42929 0.03839 106 2S -0.06031 0.07881 -0.13407 -0.20610 0.15175 107 15 C 1S 0.01004 0.00000 0.00000 0.00000 0.07428 108 2S -0.17432 0.00000 0.00001 0.00001 -0.43900 109 2PX -0.08381 0.00000 0.00000 0.00000 -0.37900 110 2PY 0.00000 -0.08060 -0.00673 0.02811 -0.00001 111 2PZ 0.05888 0.00000 0.00000 0.00000 0.41711 112 3S -0.06273 0.00000 -0.00005 0.00001 -2.14705 113 3PX 0.11038 0.00000 -0.00002 -0.00001 -0.79027 114 3PY -0.00002 -0.05022 -0.12124 0.02709 -0.00001 115 3PZ 0.03609 0.00000 0.00001 0.00000 0.57030 116 4XX -0.36909 0.00001 0.00000 0.00000 0.10350 117 4YY 0.01286 0.00000 -0.00001 0.00001 0.02705 118 4ZZ 0.41653 -0.00001 0.00001 -0.00001 0.04175 119 4XY -0.00003 -0.03660 0.16070 -0.09179 -0.00001 120 4XZ 0.04234 0.00000 0.00001 0.00000 0.56709 121 4YZ -0.00001 0.00434 0.31425 -0.17758 0.00000 122 16 C 1S 0.00841 -0.01126 -0.00395 -0.01698 0.03374 123 2S -0.12534 0.51026 -0.11124 -0.54561 0.01611 124 2PX -0.03147 -0.09575 0.00970 0.06933 0.22956 125 2PY -0.02411 0.16255 0.01934 -0.01111 0.15524 126 2PZ -0.03395 0.09472 -0.07570 -0.10300 -0.09650 127 3S -0.04915 -0.01812 0.83581 1.62224 -0.72280 128 3PX -0.02383 -0.66305 -0.75477 0.05500 0.40332 129 3PY 0.07952 0.40196 0.73955 0.67715 -0.21209 130 3PZ 0.01296 -0.27175 0.74669 0.52666 -0.53838 131 4XX 0.10273 0.29375 -0.01516 0.30043 -0.09029 132 4YY 0.04517 0.23433 0.00373 -0.03085 0.09028 133 4ZZ -0.07591 -0.62802 0.04114 -0.17390 0.03606 134 4XY 0.03111 -0.29756 -0.31633 0.32429 0.04148 135 4XZ 0.03650 0.02304 -0.13620 0.14560 0.39514 136 4YZ -0.02690 -0.11515 -0.23711 0.26327 0.00605 137 17 C 1S 0.00840 0.01126 0.00395 0.01698 0.03374 138 2S -0.12545 -0.51026 0.11122 0.54562 0.01611 139 2PX -0.03147 0.09575 -0.00970 -0.06933 0.22957 140 2PY 0.02410 0.16255 0.01934 -0.01111 -0.15525 141 2PZ -0.03396 -0.09471 0.07570 0.10300 -0.09651 142 3S -0.04863 0.01814 -0.83580 -1.62222 -0.72279 143 3PX -0.02371 0.66306 0.75478 -0.05501 0.40331 144 3PY -0.07966 0.40197 0.73957 0.67717 0.21209 145 3PZ 0.01307 0.27176 -0.74666 -0.52663 -0.53835 146 4XX 0.10268 -0.29375 0.01516 -0.30044 -0.09030 147 4YY 0.04519 -0.23432 -0.00372 0.03084 0.09028 148 4ZZ -0.07587 0.62801 -0.04115 0.17392 0.03606 149 4XY -0.03105 -0.29756 -0.31633 0.32429 -0.04149 150 4XZ 0.03653 -0.02305 0.13620 -0.14559 0.39513 151 4YZ 0.02696 -0.11518 -0.23711 0.26327 -0.00604 152 18 H 1S -0.23302 0.00000 0.00000 0.00001 0.09797 153 2S 0.09432 0.00000 0.00000 0.00000 0.06379 154 19 H 1S 0.05356 0.23429 0.20467 0.01246 0.01941 155 2S 0.02913 0.00318 0.36680 0.13961 -0.19930 156 20 H 1S 0.05355 -0.23430 -0.20467 -0.01246 0.01941 157 2S 0.02912 -0.00318 -0.36680 -0.13961 -0.19929 158 21 H 1S 0.21979 0.00000 0.00000 0.00000 -0.01729 159 2S -0.01290 0.00000 0.00000 0.00000 0.04489 160 22 O 1S 0.00139 -0.00300 -0.02143 -0.00520 -0.06144 161 2S -0.08097 -0.21696 -0.01884 0.11446 -0.92393 162 2PX -0.02054 0.00672 0.06429 0.05072 0.01495 163 2PY 0.01417 0.08674 -0.00864 -0.02707 0.08657 164 2PZ -0.02207 0.05664 0.02611 -0.01071 -0.02236 165 3S 0.11531 0.43907 0.63146 0.06590 3.05733 166 3PX 0.05093 -0.10937 -0.04511 -0.01805 0.25903 167 3PY -0.05140 -0.32732 -0.19745 0.05726 -1.28066 168 3PZ 0.09519 -0.24643 -0.10319 -0.03735 -0.01309 169 4XX 0.02459 -0.38471 0.11901 -0.26100 -0.22175 170 4YY 0.04353 0.12827 0.07766 -0.08043 0.37416 171 4ZZ -0.06007 0.21917 -0.31344 0.30762 -0.42544 172 4XY -0.11138 -0.02711 0.05750 0.04562 -0.09093 173 4XZ 0.00760 -0.23576 0.06015 0.03257 -0.31723 174 4YZ -0.20523 0.24652 0.16017 -0.04149 -0.09784 175 23 O 1S 0.00139 0.00300 0.02143 0.00520 -0.06144 176 2S -0.08101 0.21696 0.01881 -0.11445 -0.92392 177 2PX -0.02056 -0.00672 -0.06429 -0.05072 0.01495 178 2PY -0.01418 0.08674 -0.00864 -0.02707 -0.08657 179 2PZ -0.02208 -0.05664 -0.02611 0.01071 -0.02236 180 3S 0.11535 -0.43906 -0.63138 -0.06593 3.05732 181 3PX 0.05101 0.10936 0.04511 0.01805 0.25902 182 3PY 0.05141 -0.32732 -0.19743 0.05725 1.28066 183 3PZ 0.09522 0.24643 0.10320 0.03735 -0.01306 184 4XX 0.02468 0.38470 -0.11902 0.26099 -0.22175 185 4YY 0.04351 -0.12827 -0.07767 0.08043 0.37415 186 4ZZ -0.06013 -0.21916 0.31344 -0.30762 -0.42544 187 4XY 0.11137 -0.02711 0.05750 0.04562 0.09094 188 4XZ 0.00766 0.23575 -0.06016 -0.03256 -0.31723 189 4YZ 0.20523 0.24652 0.16017 -0.04149 0.09785 166 167 168 169 170 V V V V V Eigenvalues -- 2.62740 2.64518 2.67569 2.69296 2.69442 1 1 C 1S 0.03650 0.09124 -0.00238 0.05529 -0.02282 2 2S -0.07584 0.29576 -0.03108 0.06269 0.08143 3 2PX 0.27695 0.11491 0.01124 0.02844 -0.16203 4 2PY -0.27531 0.18517 -0.12230 0.22608 0.03364 5 2PZ -0.20688 -0.07062 -0.02521 -0.04489 0.16274 6 3S -0.96129 -4.83425 0.18259 -2.08492 0.94895 7 3PX 0.41350 1.32179 0.09876 0.44711 -0.33624 8 3PY -0.05236 1.45806 -0.45503 0.74571 0.40551 9 3PZ -0.39099 -1.40718 -0.32135 -0.36523 0.28656 10 4XX -0.07547 0.19366 0.09693 0.37223 0.13079 11 4YY -0.08987 -0.44853 0.24073 -0.44506 -0.20941 12 4ZZ 0.16421 0.23928 -0.26489 0.09820 0.19689 13 4XY 0.31767 -0.10296 0.11045 -0.11583 -0.10450 14 4XZ 0.24106 0.46366 0.11131 0.17440 -0.39530 15 4YZ -0.24362 0.23607 -0.32451 -0.27872 0.13753 16 2 C 1S 0.03650 -0.09125 0.00239 -0.05529 -0.02282 17 2S -0.07586 -0.29576 0.03108 -0.06270 0.08142 18 2PX 0.27694 -0.11493 -0.01123 -0.02844 -0.16204 19 2PY 0.27533 0.18515 -0.12229 0.22608 -0.03366 20 2PZ -0.20687 0.07063 0.02520 0.04490 0.16273 21 3S -0.96099 4.83430 -0.18260 2.08493 0.94901 22 3PX 0.41342 -1.32185 -0.09875 -0.44713 -0.33625 23 3PY 0.05249 1.45800 -0.45506 0.74569 -0.40549 24 3PZ -0.39091 1.40724 0.32133 0.36526 0.28656 25 4XX -0.07546 -0.19365 -0.09693 -0.37222 0.13081 26 4YY -0.08986 0.44852 -0.24073 0.44506 -0.20940 27 4ZZ 0.16420 -0.23928 0.26489 -0.09821 0.19686 28 4XY -0.31770 -0.10295 0.11044 -0.11585 0.10452 29 4XZ 0.24102 -0.46367 -0.11131 -0.17440 -0.39529 30 4YZ 0.24366 0.23607 -0.32452 -0.27871 -0.13752 31 3 C 1S -0.05662 0.05183 0.01607 -0.00467 -0.00417 32 2S 0.00745 0.62627 0.01420 0.19425 -0.06856 33 2PX 0.18047 -0.13246 -0.07441 -0.14130 -0.18614 34 2PY 0.15220 0.03959 -0.04989 0.03531 -0.06817 35 2PZ -0.10571 0.11433 0.06739 0.12064 0.26129 36 3S 1.49267 -3.28192 -0.56714 -0.85093 -0.12670 37 3PX 0.29005 -0.49606 -0.24069 -0.09476 -0.61698 38 3PY 0.66661 -1.76838 -0.22722 -0.50859 -0.01986 39 3PZ -0.09906 0.14109 -0.18601 0.10352 0.86589 40 4XX 0.03668 0.08732 -0.19040 -0.30132 -0.21264 41 4YY -0.39027 -0.18180 -0.02143 -0.13757 -0.24550 42 4ZZ 0.29637 0.00325 0.14584 0.34172 0.39773 43 4XY 0.19809 -0.21181 -0.07138 -0.08827 -0.43627 44 4XZ -0.63503 0.23503 0.05592 0.08730 0.03708 45 4YZ -0.18472 0.10316 -0.17755 -0.02675 0.52138 46 4 C 1S 0.02345 -0.02591 0.04805 -0.00106 0.04183 47 2S 0.03992 0.03620 0.01574 -0.29000 -0.04169 48 2PX -0.04960 0.01445 -0.02163 0.00918 -0.06559 49 2PY 0.11855 0.01559 -0.20945 0.01938 0.08282 50 2PZ 0.11413 -0.11237 -0.02054 0.06943 0.18418 51 3S -0.48962 1.44591 -0.83009 0.89312 -0.80739 52 3PX 0.03158 0.28929 0.31646 -0.25729 -0.07090 53 3PY -0.04164 0.42381 -0.69441 0.43245 0.19984 54 3PZ 0.33174 -0.32346 -0.11504 -0.21765 0.46153 55 4XX 0.20395 -0.12019 0.36927 0.12700 0.22684 56 4YY -0.04502 0.07531 -0.65236 0.02253 0.13085 57 4ZZ -0.11236 -0.03899 0.40726 -0.03362 -0.29289 58 4XY -0.00311 0.01517 0.08527 0.16112 0.07723 59 4XZ -0.00029 0.04229 -0.02749 0.13535 0.16271 60 4YZ -0.20609 -0.04405 -0.11858 -0.33098 -0.25404 61 5 C 1S 0.02345 0.02591 -0.04805 0.00106 0.04183 62 2S 0.03990 -0.03620 -0.01574 0.28999 -0.04169 63 2PX -0.04960 -0.01445 0.02162 -0.00918 -0.06559 64 2PY -0.11854 0.01559 -0.20946 0.01938 -0.08281 65 2PZ 0.11414 0.11237 0.02055 -0.06942 0.18419 66 3S -0.48972 -1.44589 0.83001 -0.89314 -0.80750 67 3PX 0.03154 -0.28929 -0.31647 0.25729 -0.07090 68 3PY 0.04166 0.42380 -0.69442 0.43244 -0.19983 69 3PZ 0.33173 0.32345 0.11506 0.21767 0.46153 70 4XX 0.20399 0.12018 -0.36924 -0.12699 0.22688 71 4YY -0.04506 -0.07531 0.65238 -0.02251 0.13080 72 4ZZ -0.11234 0.03900 -0.40729 0.03360 -0.29287 73 4XY 0.00310 0.01516 0.08526 0.16112 -0.07725 74 4XZ -0.00031 -0.04230 0.02750 -0.13534 0.16270 75 4YZ 0.20611 -0.04407 -0.11850 -0.33098 0.25408 76 6 C 1S -0.05663 -0.05183 -0.01608 0.00467 -0.00417 77 2S 0.00741 -0.62627 -0.01421 -0.19425 -0.06859 78 2PX 0.18047 0.13245 0.07441 0.14129 -0.18614 79 2PY -0.15219 0.03960 -0.04989 0.03532 0.06816 80 2PZ -0.10572 -0.11432 -0.06738 -0.12063 0.26130 81 3S 1.49285 3.28185 0.56723 0.85093 -0.12663 82 3PX 0.29009 0.49607 0.24069 0.09475 -0.61698 83 3PY -0.66669 -1.76832 -0.22726 -0.50857 0.01978 84 3PZ -0.09909 -0.14114 0.18605 -0.10352 0.86590 85 4XX 0.03665 -0.08732 0.19040 0.30132 -0.21268 86 4YY -0.39028 0.18181 0.02139 0.13755 -0.24545 87 4ZZ 0.29641 -0.00326 -0.14580 -0.34171 0.39772 88 4XY -0.19807 -0.21180 -0.07136 -0.08825 0.43627 89 4XZ -0.63505 -0.23501 -0.05597 -0.08732 0.03711 90 4YZ 0.18471 0.10316 -0.17757 -0.02674 -0.52139 91 7 H 1S -0.09977 0.20979 -0.07977 0.00836 -0.11823 92 2S -0.07861 -0.56181 0.02359 -0.12819 0.10433 93 8 H 1S -0.09979 -0.20978 0.07976 -0.00837 -0.11824 94 2S -0.07858 0.56182 -0.02359 0.12819 0.10434 95 9 H 1S 0.20371 0.05722 0.01464 0.06918 0.12387 96 2S 0.03402 -0.33775 -0.13677 -0.13053 -0.05835 97 10 H 1S -0.02361 -0.01144 -0.07782 -0.16915 -0.03531 98 2S 0.04282 0.05055 0.15061 -0.06241 -0.04627 99 11 H 1S -0.02364 0.01144 0.07781 0.16915 -0.03532 100 2S 0.04283 -0.05054 -0.15061 0.06241 -0.04626 101 12 H 1S 0.20371 -0.05723 -0.01462 -0.06918 0.12387 102 2S 0.03403 0.33774 0.13677 0.13052 -0.05835 103 13 H 1S -0.06357 0.07365 0.10675 0.08916 -0.03578 104 2S -0.05821 0.03253 0.01693 -0.15813 -0.03144 105 14 H 1S -0.06358 -0.07364 -0.10676 -0.08916 -0.03578 106 2S -0.05822 -0.03252 -0.01693 0.15813 -0.03145 107 15 C 1S -0.01677 0.00000 0.00000 0.00000 -0.01206 108 2S 0.00898 -0.00001 0.00000 0.00000 -0.01431 109 2PX 0.06134 -0.00001 0.00000 0.00000 0.03736 110 2PY 0.00000 0.25160 0.17474 -0.26572 -0.00001 111 2PZ -0.08971 0.00001 0.00000 0.00000 -0.06562 112 3S 0.59946 -0.00003 0.00001 0.00000 0.41507 113 3PX 0.27687 -0.00001 0.00001 0.00001 0.24197 114 3PY 0.00000 0.35155 0.23150 -0.32586 -0.00001 115 3PZ -0.12392 0.00001 0.00000 0.00000 -0.04755 116 4XX 0.00336 0.00000 0.00000 0.00000 -0.02293 117 4YY -0.01664 0.00001 0.00001 -0.00001 0.00874 118 4ZZ 0.00410 -0.00001 0.00000 0.00001 0.03938 119 4XY 0.00000 0.26252 0.17509 -0.26201 0.00000 120 4XZ -0.14428 0.00001 0.00000 0.00000 -0.09202 121 4YZ 0.00000 -0.26601 -0.18245 0.26980 0.00001 122 16 C 1S -0.00063 -0.03921 -0.02974 0.03025 0.00185 123 2S -0.05829 -0.17738 -0.08304 0.10940 0.00268 124 2PX -0.10505 0.08487 0.01832 -0.00634 0.00622 125 2PY -0.02334 0.24131 0.18956 -0.23520 -0.00046 126 2PZ 0.02046 -0.06664 -0.03226 0.03748 -0.02236 127 3S 0.22445 1.67132 1.23697 -1.21665 -0.07773 128 3PX -0.08609 -0.03251 -0.12156 -0.01684 0.00560 129 3PY -0.04072 0.89120 0.76095 -0.74878 0.05241 130 3PZ 0.09801 0.46062 0.27553 -0.09562 0.01975 131 4XX 0.01280 -0.21787 -0.22585 0.23837 -0.01030 132 4YY -0.00204 0.43718 0.37423 -0.48166 0.00671 133 4ZZ 0.05122 -0.17940 -0.11278 0.16604 -0.00897 134 4XY -0.01041 -0.10107 -0.03284 -0.02055 -0.03004 135 4XZ -0.14135 0.13140 -0.01455 0.02463 -0.00827 136 4YZ 0.00165 0.05108 0.13365 -0.15485 0.02669 137 17 C 1S -0.00063 0.03921 0.02974 -0.03025 0.00185 138 2S -0.05828 0.17738 0.08304 -0.10939 0.00269 139 2PX -0.10506 -0.08487 -0.01832 0.00634 0.00622 140 2PY 0.02334 0.24131 0.18956 -0.23520 0.00045 141 2PZ 0.02047 0.06665 0.03226 -0.03749 -0.02236 142 3S 0.22438 -1.67135 -1.23697 1.21664 -0.07778 143 3PX -0.08608 0.03252 0.12156 0.01684 0.00561 144 3PY 0.04076 0.89122 0.76096 -0.74877 -0.05240 145 3PZ 0.09797 -0.46061 -0.27551 0.09558 0.01973 146 4XX 0.01279 0.21787 0.22585 -0.23837 -0.01031 147 4YY -0.00204 -0.43719 -0.37424 0.48166 0.00672 148 4ZZ 0.05122 0.17940 0.11279 -0.16605 -0.00897 149 4XY 0.01042 -0.10107 -0.03284 -0.02055 0.03004 150 4XZ -0.14136 -0.13139 0.01454 -0.02463 -0.00827 151 4YZ -0.00165 0.05106 0.13363 -0.15483 -0.02669 152 18 H 1S -0.03130 0.00000 0.00000 0.00000 -0.05774 153 2S -0.06394 0.00000 0.00000 0.00000 -0.03432 154 19 H 1S -0.05738 0.00429 -0.07118 0.11215 -0.00940 155 2S 0.02615 0.19604 0.19767 -0.15474 0.06704 156 20 H 1S -0.05738 -0.00429 0.07118 -0.11215 -0.00940 157 2S 0.02613 -0.19605 -0.19767 0.15473 0.06704 158 21 H 1S -0.00072 0.00000 0.00000 0.00000 0.02312 159 2S 0.02560 0.00000 0.00000 0.00000 0.04221 160 22 O 1S 0.01854 0.02777 0.01417 -0.01326 0.00097 161 2S 0.21352 0.11746 0.06529 -0.19101 0.10070 162 2PX -0.00912 -0.04494 -0.02454 0.00806 0.01143 163 2PY -0.01351 0.02122 0.01435 -0.01862 -0.00595 164 2PZ -0.00169 0.01136 0.01157 -0.01808 0.00427 165 3S -0.78536 -0.39826 -0.19339 0.51082 -0.27578 166 3PX -0.09431 0.18572 0.13890 -0.10523 0.02431 167 3PY 0.29183 0.22060 0.11368 -0.21852 0.15033 168 3PZ 0.03314 -0.07101 -0.08063 0.13575 -0.08474 169 4XX 0.04062 0.11740 0.07681 -0.05964 0.04824 170 4YY -0.06711 -0.13537 -0.09228 0.16090 -0.09946 171 4ZZ 0.11392 0.10242 0.04307 -0.08562 0.04311 172 4XY 0.05755 -0.05748 -0.08109 0.10474 -0.03429 173 4XZ 0.08961 0.21064 0.10419 -0.09130 -0.02049 174 4YZ 0.01683 0.08576 0.06947 -0.10008 0.04005 175 23 O 1S 0.01854 -0.02777 -0.01417 0.01326 0.00097 176 2S 0.21351 -0.11748 -0.06529 0.19101 0.10071 177 2PX -0.00913 0.04494 0.02454 -0.00805 0.01143 178 2PY 0.01351 0.02122 0.01435 -0.01862 0.00595 179 2PZ -0.00169 -0.01136 -0.01157 0.01808 0.00426 180 3S -0.78538 0.39836 0.19337 -0.51081 -0.27583 181 3PX -0.09430 -0.18572 -0.13890 0.10523 0.02431 182 3PY -0.29183 0.22063 0.11367 -0.21852 -0.15035 183 3PZ 0.03314 0.07101 0.08063 -0.13575 -0.08474 184 4XX 0.04063 -0.11741 -0.07681 0.05964 0.04825 185 4YY -0.06711 0.13538 0.09228 -0.16089 -0.09946 186 4ZZ 0.11391 -0.10243 -0.04307 0.08561 0.04311 187 4XY -0.05755 -0.05747 -0.08109 0.10474 0.03429 188 4XZ 0.08961 -0.21065 -0.10419 0.09131 -0.02048 189 4YZ -0.01683 0.08576 0.06947 -0.10008 -0.04006 171 172 173 174 175 V V V V V Eigenvalues -- 2.73616 2.76593 2.80389 2.86686 2.87994 1 1 C 1S -0.03644 0.00323 -0.00785 -0.00507 0.00694 2 2S -0.29411 0.05994 -0.04153 0.01535 0.13543 3 2PX -0.12050 0.00291 -0.03305 -0.00522 0.01193 4 2PY 0.19055 -0.00780 0.00857 -0.03252 -0.04018 5 2PZ 0.08426 -0.01760 0.01751 -0.00479 -0.02913 6 3S 3.14595 -0.20801 1.03541 0.26926 -0.42647 7 3PX -1.23006 0.08267 -0.40708 -0.03815 0.19541 8 3PY -0.53661 -0.05177 -0.22299 -0.14422 -0.04298 9 3PZ 1.31419 -0.02258 0.38906 0.03329 -0.09448 10 4XX 0.22846 -0.02246 -0.00537 -0.01805 -0.04928 11 4YY -0.29247 0.00204 0.00570 0.04841 -0.01558 12 4ZZ 0.05811 -0.00929 0.01545 -0.05295 0.00267 13 4XY -0.06440 0.00881 0.03098 0.01533 0.02449 14 4XZ -0.34523 0.03737 -0.02877 0.03098 0.06112 15 4YZ -0.20041 -0.00519 0.01932 -0.04911 -0.01941 16 2 C 1S 0.03644 0.00323 0.00785 0.00507 0.00694 17 2S 0.29412 0.05993 0.04153 -0.01535 0.13543 18 2PX 0.12050 0.00291 0.03305 0.00522 0.01193 19 2PY 0.19056 0.00779 0.00857 -0.03252 0.04019 20 2PZ -0.08425 -0.01760 -0.01751 0.00478 -0.02913 21 3S -3.14596 -0.20787 -1.03541 -0.26926 -0.42644 22 3PX 1.23008 0.08262 0.40709 0.03816 0.19540 23 3PY -0.53656 0.05180 -0.22298 -0.14422 0.04301 24 3PZ -1.31420 -0.02252 -0.38906 -0.03329 -0.09447 25 4XX -0.22846 -0.02246 0.00537 0.01805 -0.04929 26 4YY 0.29247 0.00203 -0.00570 -0.04841 -0.01557 27 4ZZ -0.05811 -0.00929 -0.01544 0.05295 0.00266 28 4XY -0.06442 -0.00881 0.03099 0.01533 -0.02449 29 4XZ 0.34522 0.03736 0.02877 -0.03098 0.06112 30 4YZ -0.20039 0.00520 0.01932 -0.04911 0.01942 31 3 C 1S -0.07983 -0.00422 -0.01699 -0.00218 -0.01092 32 2S -0.83730 -0.03451 -0.48236 -0.16638 -0.07339 33 2PX 0.12909 0.01674 0.04249 -0.00103 0.02465 34 2PY 0.01611 0.00266 -0.08055 -0.02809 0.00837 35 2PZ 0.01715 -0.01863 -0.09844 0.04600 -0.02223 36 3S 4.27794 0.16132 1.05793 0.35902 0.44505 37 3PX 0.17233 0.02299 0.05191 -0.08365 0.04706 38 3PY 1.92054 0.03057 0.68736 0.18281 0.15632 39 3PZ 0.39714 -0.11332 -0.18544 0.05306 -0.17443 40 4XX -0.23985 0.02707 0.18558 -0.02000 0.03294 41 4YY 0.16952 0.01127 0.00205 0.02500 0.00308 42 4ZZ 0.29013 -0.03071 -0.05341 0.06297 -0.02619 43 4XY 0.19869 0.03008 -0.03042 -0.01939 0.04587 44 4XZ -0.28945 -0.00061 0.04617 -0.01701 -0.03653 45 4YZ 0.07346 -0.02829 -0.12958 0.04423 -0.04028 46 4 C 1S 0.03530 -0.00445 -0.01175 0.00772 -0.00607 47 2S 0.21544 -0.04666 -0.27635 0.03908 0.02170 48 2PX -0.06100 0.00919 0.05047 -0.01277 -0.01709 49 2PY 0.12106 -0.01046 -0.04004 0.01735 0.00856 50 2PZ 0.20590 -0.00096 0.06668 0.02577 -0.00323 51 3S -2.28352 0.12457 0.19910 -0.33561 0.04009 52 3PX -0.34315 -0.03078 -0.49663 0.02462 0.05187 53 3PY 0.21066 -0.01823 -0.04631 -0.02014 -0.04531 54 3PZ 0.97273 -0.04584 -0.40375 0.15962 0.01749 55 4XX 0.01234 -0.00317 0.06139 0.01235 -0.01493 56 4YY 0.35545 -0.00826 -0.13333 0.04039 -0.02524 57 4ZZ -0.36189 0.01979 0.14066 -0.04831 0.00310 58 4XY 0.04692 -0.00771 -0.04527 0.00380 -0.02318 59 4XZ 0.17543 0.00246 -0.08611 0.02022 0.01352 60 4YZ -0.15770 0.01570 0.03242 -0.01508 0.01007 61 5 C 1S -0.03530 -0.00445 0.01175 -0.00772 -0.00607 62 2S -0.21545 -0.04664 0.27635 -0.03908 0.02170 63 2PX 0.06100 0.00918 -0.05048 0.01277 -0.01709 64 2PY 0.12106 0.01045 -0.04004 0.01735 -0.00856 65 2PZ -0.20589 -0.00095 -0.06668 -0.02577 -0.00323 66 3S 2.28351 0.12443 -0.19910 0.33561 0.04007 67 3PX 0.34314 -0.03078 0.49663 -0.02462 0.05188 68 3PY 0.21069 0.01823 -0.04633 -0.02013 0.04531 69 3PZ -0.97272 -0.04576 0.40374 -0.15962 0.01750 70 4XX -0.01234 -0.00317 -0.06138 -0.01235 -0.01493 71 4YY -0.35544 -0.00823 0.13332 -0.04039 -0.02523 72 4ZZ 0.36188 0.01977 -0.14066 0.04831 0.00309 73 4XY 0.04692 0.00771 -0.04527 0.00380 0.02318 74 4XZ -0.17541 0.00247 0.08612 -0.02022 0.01352 75 4YZ -0.15773 -0.01570 0.03243 -0.01509 -0.01007 76 6 C 1S 0.07983 -0.00423 0.01699 0.00218 -0.01092 77 2S 0.83730 -0.03455 0.48236 0.16638 -0.07340 78 2PX -0.12909 0.01675 -0.04248 0.00103 0.02465 79 2PY 0.01611 -0.00266 -0.08055 -0.02809 -0.00837 80 2PZ -0.01714 -0.01863 0.09844 -0.04600 -0.02222 81 3S -4.27792 0.16152 -1.05794 -0.35901 0.44507 82 3PX -0.17238 0.02300 -0.05192 0.08364 0.04706 83 3PY 1.92054 -0.03066 0.68734 0.18281 -0.15632 84 3PZ -0.39707 -0.11329 0.18547 -0.05306 -0.17442 85 4XX 0.23984 0.02705 -0.18559 0.02000 0.03293 86 4YY -0.16953 0.01127 -0.00204 -0.02500 0.00308 87 4ZZ -0.29011 -0.03069 0.05341 -0.06297 -0.02619 88 4XY 0.19869 -0.03009 -0.03042 -0.01939 -0.04587 89 4XZ 0.28943 -0.00063 -0.04617 0.01700 -0.03653 90 4YZ 0.07347 0.02828 -0.12959 0.04424 0.04027 91 7 H 1S -0.12367 0.02203 0.01168 -0.00244 0.02007 92 2S 0.42552 -0.00040 0.13490 0.01614 -0.02758 93 8 H 1S 0.12366 0.02202 -0.01169 0.00244 0.02007 94 2S -0.42552 -0.00038 -0.13490 -0.01614 -0.02758 95 9 H 1S -0.11623 -0.02563 0.04148 -0.01883 -0.02167 96 2S 0.44613 0.01665 0.11994 0.05352 0.03662 97 10 H 1S 0.09126 0.00554 -0.11181 0.02477 0.02015 98 2S 0.08264 -0.05640 -0.10174 0.00539 0.00224 99 11 H 1S -0.09127 0.00556 0.11181 -0.02477 0.02015 100 2S -0.08264 -0.05639 0.10174 -0.00539 0.00224 101 12 H 1S 0.11624 -0.02564 -0.04148 0.01883 -0.02167 102 2S -0.44613 0.01668 -0.11993 -0.05352 0.03663 103 13 H 1S -0.08222 -0.00729 -0.06371 -0.00164 -0.02116 104 2S -0.07226 0.01782 -0.22400 0.01487 -0.02809 105 14 H 1S 0.08222 -0.00730 0.06371 0.00164 -0.02116 106 2S 0.07226 0.01783 0.22400 -0.01487 -0.02809 107 15 C 1S 0.00000 0.02773 0.00000 0.00000 -0.07867 108 2S 0.00001 -0.01874 0.00000 0.00000 0.25249 109 2PX 0.00000 -0.05928 0.00000 0.00000 0.29574 110 2PY 0.39083 0.00000 0.51825 -0.34029 0.00000 111 2PZ 0.00000 0.07559 0.00001 0.00000 -0.32726 112 3S -0.00002 -0.75680 0.00000 0.00000 2.15261 113 3PX -0.00001 -0.00931 -0.00001 0.00000 0.37841 114 3PY 0.38417 -0.00001 0.28903 -0.32210 0.00000 115 3PZ 0.00000 -0.03198 0.00000 0.00000 -0.35537 116 4XX 0.00001 0.39417 -0.00001 0.00000 -0.35322 117 4YY -0.00001 -0.74231 0.00002 0.00000 0.56670 118 4ZZ 0.00000 0.40243 -0.00001 0.00000 -0.24800 119 4XY 0.35239 0.00000 0.39847 -0.12359 0.00000 120 4XZ 0.00000 -0.14356 0.00001 0.00000 -0.16514 121 4YZ -0.31666 -0.00001 -0.32471 0.27970 0.00001 122 16 C 1S 0.02041 0.02612 0.10187 -0.01587 0.02803 123 2S 0.15122 -0.09140 0.64213 0.06169 -0.18666 124 2PX 0.04676 0.25701 0.27621 0.09540 0.32198 125 2PY 0.13903 0.17846 -0.23357 0.28264 0.08268 126 2PZ -0.05913 -0.16152 -0.03072 -0.07270 -0.22879 127 3S -1.07894 -0.60968 -5.68260 0.43092 -0.97016 128 3PX 0.11843 0.18942 0.75607 0.02176 0.37010 129 3PY -0.02902 0.16181 -2.30601 0.29567 0.32761 130 3PZ -0.50504 -0.19714 -1.89550 -0.01311 -0.33069 131 4XX -0.21064 -0.03742 0.18631 -0.23073 -0.22108 132 4YY 0.32776 -0.04501 -0.47823 0.55700 0.21561 133 4ZZ -0.03548 0.09110 0.11931 -0.30820 -0.07966 134 4XY -0.04314 -0.25626 -0.00791 0.44737 -0.13245 135 4XZ 0.00898 0.18777 0.42148 0.10645 0.37875 136 4YZ 0.05473 0.18869 -0.38958 -0.50474 0.10496 137 17 C 1S -0.02041 0.02612 -0.10187 0.01587 0.02803 138 2S -0.15123 -0.09142 -0.64212 -0.06170 -0.18667 139 2PX -0.04674 0.25700 -0.27622 -0.09540 0.32198 140 2PY 0.13902 -0.17847 -0.23357 0.28264 -0.08267 141 2PZ 0.05913 -0.16152 0.03072 0.07271 -0.22879 142 3S 1.07892 -0.60954 5.68264 -0.43092 -0.97013 143 3PX -0.11843 0.18940 -0.75608 -0.02177 0.37011 144 3PY -0.02906 -0.16188 -2.30605 0.29567 -0.32762 145 3PZ 0.50504 -0.19710 1.89542 0.01313 -0.33069 146 4XX 0.21064 -0.03745 -0.18630 0.23073 -0.22109 147 4YY -0.32776 -0.04497 0.47825 -0.55697 0.21562 148 4ZZ 0.03548 0.09109 -0.11934 0.30817 -0.07966 149 4XY -0.04312 0.25627 -0.00791 0.44738 0.13243 150 4XZ -0.00897 0.18775 -0.42149 -0.10644 0.37875 151 4YZ 0.05470 -0.18870 -0.38955 -0.50477 -0.10495 152 18 H 1S 0.00000 -0.09323 0.00000 0.00000 -0.05899 153 2S 0.00000 0.22031 0.00000 0.00000 -0.15266 154 19 H 1S -0.04895 -0.02768 0.25015 0.27606 0.05037 155 2S 0.04058 0.05109 -0.71661 -0.10438 0.01789 156 20 H 1S 0.04895 -0.02769 -0.25014 -0.27606 0.05037 157 2S -0.04058 0.05112 0.71660 0.10438 0.01789 158 21 H 1S 0.00000 -0.07779 0.00000 0.00000 0.00245 159 2S 0.00000 0.16848 -0.00001 0.00000 -0.15177 160 22 O 1S 0.02198 -0.04852 0.03128 -0.03037 0.00137 161 2S 0.42706 -0.32928 0.85413 -0.04183 0.00698 162 2PX 0.00657 -0.00128 0.05072 0.02990 -0.04383 163 2PY 0.00615 -0.07699 -0.04191 -0.02985 -0.05007 164 2PZ 0.01053 0.00313 -0.01564 -0.02245 0.03257 165 3S -1.35564 1.35343 -2.86348 0.44240 -0.02062 166 3PX -0.11321 0.25807 -0.65487 -0.18003 1.07643 167 3PY 0.45657 -0.17197 0.96873 -0.06272 0.44105 168 3PZ -0.05623 -0.12552 0.17168 0.15477 -0.86900 169 4XX 0.07408 0.23286 -0.02381 0.04084 0.31476 170 4YY -0.17113 -0.51155 -0.23121 -0.15077 -0.30409 171 4ZZ 0.09897 0.06913 0.25487 -0.07248 0.05402 172 4XY -0.11085 0.11502 0.06521 0.43298 -0.64999 173 4XZ 0.16068 -0.60833 0.24007 -0.17642 -0.18670 174 4YZ 0.13747 -0.14045 0.12993 -0.28901 0.54308 175 23 O 1S -0.02198 -0.04852 -0.03128 0.03037 0.00137 176 2S -0.42707 -0.32929 -0.85412 0.04183 0.00698 177 2PX -0.00658 -0.00128 -0.05072 -0.02990 -0.04383 178 2PY 0.00616 0.07699 -0.04191 -0.02985 0.05007 179 2PZ -0.01053 0.00313 0.01564 0.02245 0.03257 180 3S 1.35570 1.35346 2.86344 -0.44241 -0.02062 181 3PX 0.11322 0.25809 0.65485 0.18003 1.07644 182 3PY 0.45658 0.17198 0.96874 -0.06271 -0.44102 183 3PZ 0.05623 -0.12553 -0.17165 -0.15477 -0.86902 184 4XX -0.07407 0.23286 0.02379 -0.04084 0.31475 185 4YY 0.17110 -0.51155 0.23123 0.15079 -0.30407 186 4ZZ -0.09896 0.06913 -0.25486 0.07246 0.05400 187 4XY -0.11085 -0.11499 0.06521 0.43297 0.65000 188 4XZ -0.16072 -0.60833 -0.24005 0.17644 -0.18668 189 4YZ 0.13748 0.14042 0.12994 -0.28901 -0.54309 176 177 178 179 180 V V V V V Eigenvalues -- 2.94457 3.10577 3.13119 4.00624 4.10577 1 1 C 1S -0.00099 -0.00436 0.05714 -0.03378 -0.00892 2 2S 0.02737 -0.22680 -0.08200 0.31076 0.39551 3 2PX -0.17679 0.01770 0.08612 0.02376 0.02796 4 2PY 0.40579 -0.01749 0.07882 -0.03270 0.02158 5 2PZ 0.16367 0.00505 -0.04917 -0.03625 -0.03556 6 3S -0.11105 1.02775 -2.10632 -0.18968 -1.45261 7 3PX -0.68055 -0.37070 0.61996 0.12026 0.55505 8 3PY 1.46895 -0.34314 0.58837 -0.03478 0.60848 9 3PZ 0.46010 0.21236 -0.71492 -0.05096 -0.45544 10 4XX 0.35294 0.04138 0.14036 -0.18799 -0.14997 11 4YY -0.64467 0.00433 -0.38785 -0.14223 -0.22118 12 4ZZ 0.26144 0.05617 0.35624 -0.15351 -0.10012 13 4XY -0.27743 0.13542 0.55064 0.01525 0.01981 14 4XZ -0.38721 -0.03621 0.02801 0.03910 0.07220 15 4YZ 0.31022 -0.08221 -0.45043 -0.01224 -0.04286 16 2 C 1S 0.00099 0.00435 -0.05714 -0.03378 0.00890 17 2S -0.02737 0.22681 0.08200 0.31075 -0.39541 18 2PX 0.17678 -0.01770 -0.08613 0.02376 -0.02796 19 2PY 0.40580 -0.01749 0.07881 0.03271 0.02158 20 2PZ -0.16366 -0.00505 0.04917 -0.03624 0.03557 21 3S 0.11105 -1.02774 2.10632 -0.18963 1.45263 22 3PX 0.68052 0.37070 -0.61998 0.12024 -0.55507 23 3PY 1.46898 -0.34313 0.58833 0.03479 0.60846 24 3PZ -0.46006 -0.21237 0.71493 -0.05093 0.45545 25 4XX -0.35293 -0.04139 -0.14038 -0.18798 0.14991 26 4YY 0.64465 -0.00433 0.38789 -0.14222 0.22113 27 4ZZ -0.26142 -0.05618 -0.35626 -0.15350 0.10006 28 4XY -0.27747 0.13542 0.55063 -0.01525 0.01981 29 4XZ 0.38719 0.03622 -0.02799 0.03910 -0.07220 30 4YZ 0.31025 -0.08220 -0.45041 0.01224 -0.04286 31 3 C 1S -0.00270 -0.00736 0.05162 0.01872 -0.02612 32 2S 0.22327 -0.37739 0.10006 -0.25475 0.58061 33 2PX 0.21133 0.01236 -0.17930 0.02142 -0.05976 34 2PY 0.14419 -0.05426 -0.05558 -0.00596 0.00030 35 2PZ -0.24008 -0.02622 0.11043 -0.02750 0.03780 36 3S 0.36150 0.85257 -1.91499 0.29244 -1.23116 37 3PX 0.85918 -0.08791 -0.11725 0.05153 0.09010 38 3PY -0.03530 0.47495 -0.86091 0.18177 -0.81125 39 3PZ -1.12973 0.03581 -0.21911 -0.07146 -0.20540 40 4XX 0.15723 0.07173 -0.09826 0.13842 -0.26064 41 4YY 0.04304 0.11050 0.46044 0.10327 -0.20084 42 4ZZ -0.17129 -0.02611 -0.34368 0.09652 -0.23212 43 4XY 0.39090 -0.01012 0.01685 0.03130 -0.01394 44 4XZ -0.17248 0.07741 0.44750 -0.01484 0.08640 45 4YZ -0.46128 0.01153 0.00065 -0.04408 -0.00810 46 4 C 1S -0.00107 -0.00689 -0.03691 0.06651 -0.01616 47 2S 0.06636 -0.19564 0.02993 -0.46085 -0.06845 48 2PX 0.03445 0.02766 0.02570 0.01903 0.03806 49 2PY -0.12630 0.00897 -0.05811 -0.02752 -0.01919 50 2PZ -0.12791 0.05875 -0.14383 0.00923 -0.03086 51 3S 0.24497 0.11464 1.19797 -0.20579 0.86983 52 3PX 0.09390 -0.34142 0.16175 -0.12596 0.03450 53 3PY -0.72617 0.15682 0.02063 0.03486 0.17310 54 3PZ -0.55368 -0.09813 -0.32375 0.00228 -0.47733 55 4XX 0.01178 0.01192 -0.20102 0.28879 -0.05221 56 4YY -0.36524 0.06423 -0.00093 0.24082 -0.00113 57 4ZZ 0.34534 0.00601 0.07852 0.24861 0.04226 58 4XY -0.04031 -0.02394 -0.06245 -0.00049 0.00707 59 4XZ -0.11570 -0.00295 0.01332 0.02082 -0.06517 60 4YZ 0.10578 0.03780 0.31210 -0.00152 0.01852 61 5 C 1S 0.00107 0.00689 0.03691 0.06651 0.01614 62 2S -0.06636 0.19564 -0.02993 -0.46086 0.06852 63 2PX -0.03445 -0.02766 -0.02570 0.01903 -0.03806 64 2PY -0.12630 0.00897 -0.05811 0.02752 -0.01919 65 2PZ 0.12791 -0.05874 0.14383 0.00923 0.03086 66 3S -0.24498 -0.11464 -1.19797 -0.20580 -0.86981 67 3PX -0.09390 0.34141 -0.16174 -0.12597 -0.03450 68 3PY -0.72619 0.15681 0.02062 -0.03485 0.17308 69 3PZ 0.55366 0.09813 0.32376 0.00227 0.47733 70 4XX -0.01177 -0.01192 0.20103 0.28880 0.05217 71 4YY 0.36524 -0.06423 0.00091 0.24082 0.00109 72 4ZZ -0.34534 -0.00600 -0.07850 0.24862 -0.04230 73 4XY -0.04031 -0.02394 -0.06245 0.00049 0.00707 74 4XZ 0.11569 0.00295 -0.01333 0.02082 0.06516 75 4YZ 0.10581 0.03780 0.31210 0.00151 0.01852 76 6 C 1S 0.00270 0.00736 -0.05162 0.01872 0.02611 77 2S -0.22327 0.37739 -0.10006 -0.25475 -0.58054 78 2PX -0.21133 -0.01236 0.17930 0.02143 0.05977 79 2PY 0.14418 -0.05426 -0.05557 0.00596 0.00030 80 2PZ 0.24009 0.02622 -0.11044 -0.02750 -0.03780 81 3S -0.36149 -0.85259 1.91499 0.29247 1.23119 82 3PX -0.85916 0.08791 0.11727 0.05155 -0.09008 83 3PY -0.03535 0.47494 -0.86091 -0.18179 -0.81124 84 3PZ 1.12975 -0.03579 0.21909 -0.07148 0.20537 85 4XX -0.15724 -0.07173 0.09825 0.13843 0.26060 86 4YY -0.04300 -0.11050 -0.46044 0.10327 0.20080 87 4ZZ 0.17127 0.02612 0.34369 0.09653 0.23208 88 4XY 0.39088 -0.01012 0.01687 -0.03130 -0.01394 89 4XZ 0.17250 -0.07741 -0.44750 -0.01484 -0.08641 90 4YZ -0.46129 0.01152 0.00062 0.04409 -0.00810 91 7 H 1S -0.00031 -0.07458 -0.29569 0.03218 -0.00484 92 2S -0.02804 0.12664 -0.07932 -0.03815 -0.21914 93 8 H 1S 0.00031 0.07458 0.29569 0.03218 0.00485 94 2S 0.02805 -0.12664 0.07932 -0.03815 0.21913 95 9 H 1S -0.03106 -0.04419 -0.20522 -0.01768 0.00164 96 2S -0.00284 0.14008 -0.04759 0.08718 -0.23782 97 10 H 1S -0.01115 -0.03980 0.04581 -0.01861 -0.10076 98 2S 0.00859 -0.10169 -0.09745 -0.03431 0.14555 99 11 H 1S 0.01115 0.03981 -0.04581 -0.01861 0.10076 100 2S -0.00859 0.10169 0.09745 -0.03430 -0.14555 101 12 H 1S 0.03106 0.04419 0.20522 -0.01768 -0.00164 102 2S 0.00284 -0.14007 0.04758 0.08718 0.23780 103 13 H 1S 0.00178 -0.03760 0.01600 -0.02332 -0.01833 104 2S 0.00279 -0.13849 0.07824 0.11742 -0.06020 105 14 H 1S -0.00178 0.03760 -0.01600 -0.02332 0.01834 106 2S -0.00279 0.13850 -0.07824 0.11742 0.06019 107 15 C 1S 0.00000 0.00000 0.00000 -0.11845 0.00000 108 2S 0.00000 0.00000 0.00000 0.95150 -0.00002 109 2PX 0.00000 0.00000 0.00000 -0.13755 0.00000 110 2PY -0.14722 -0.36049 0.02395 0.00000 -0.06090 111 2PZ 0.00000 0.00000 0.00000 0.11878 0.00000 112 3S 0.00000 -0.00001 0.00000 -2.06041 -0.00002 113 3PX 0.00001 0.00000 0.00000 -0.55620 0.00000 114 3PY -0.11068 -0.80260 0.11829 -0.00001 -0.41053 115 3PZ 0.00000 -0.00001 0.00000 0.60153 0.00000 116 4XX 0.00000 0.00000 0.00000 -0.55716 0.00001 117 4YY 0.00000 -0.00001 0.00000 -0.37550 0.00002 118 4ZZ 0.00000 0.00001 0.00000 -0.55295 0.00001 119 4XY -0.09553 -0.36570 0.03353 0.00000 0.04183 120 4XZ 0.00000 0.00000 0.00000 0.05093 0.00000 121 4YZ 0.09447 0.34649 -0.03855 0.00000 -0.11133 122 16 C 1S -0.01522 0.05496 -0.02323 -0.01587 0.08292 123 2S -0.20092 0.14363 -0.05604 0.24715 -0.77029 124 2PX -0.01440 0.40498 -0.06188 0.05285 -0.15495 125 2PY 0.06655 0.23586 -0.03998 0.04194 0.10383 126 2PZ -0.03111 -0.19925 0.03811 -0.00439 0.06219 127 3S 1.13272 -2.85787 1.07714 -0.87279 2.53947 128 3PX -0.19106 1.00636 -0.26749 0.33957 -1.11905 129 3PY 0.48973 -0.28850 0.34394 0.07256 0.49197 130 3PZ 0.48591 -1.49313 0.47273 -0.33703 1.34337 131 4XX -0.03891 -0.30782 0.04771 -0.04395 0.40572 132 4YY 0.12586 0.24501 -0.04004 -0.07702 0.50486 133 4ZZ -0.00490 0.00958 -0.03494 -0.05317 0.37535 134 4XY 0.02562 -0.44144 0.06501 0.08594 -0.01245 135 4XZ -0.03146 0.47080 -0.07878 0.05437 -0.12128 136 4YZ -0.01453 0.33446 -0.07151 -0.06456 0.03970 137 17 C 1S 0.01522 -0.05496 0.02323 -0.01587 -0.08293 138 2S 0.20093 -0.14363 0.05604 0.24715 0.77039 139 2PX 0.01439 -0.40498 0.06187 0.05286 0.15496 140 2PY 0.06655 0.23585 -0.03998 -0.04194 0.10383 141 2PZ 0.03112 0.19926 -0.03811 -0.00439 -0.06219 142 3S -1.13270 2.85789 -1.07714 -0.87282 -2.53945 143 3PX 0.19106 -1.00637 0.26749 0.33958 1.11906 144 3PY 0.48975 -0.28854 0.34396 -0.07255 0.49201 145 3PZ -0.48589 1.49312 -0.47273 -0.33705 -1.34336 146 4XX 0.03891 0.30783 -0.04771 -0.04396 -0.40578 147 4YY -0.12587 -0.24503 0.04004 -0.07702 -0.50491 148 4ZZ 0.00490 -0.00957 0.03493 -0.05317 -0.37540 149 4XY 0.02562 -0.44142 0.06501 -0.08594 -0.01245 150 4XZ 0.03146 -0.47081 0.07879 0.05437 0.12128 151 4YZ -0.01453 0.33445 -0.07151 0.06456 0.03969 152 18 H 1S 0.00000 0.00000 0.00000 0.22973 0.00000 153 2S 0.00000 0.00000 0.00000 -0.03665 0.00000 154 19 H 1S 0.01793 -0.14800 0.05660 0.08759 -0.07018 155 2S 0.14515 -0.20842 0.09796 -0.04068 0.39997 156 20 H 1S -0.01793 0.14800 -0.05660 0.08759 0.07019 157 2S -0.14515 0.20841 -0.09796 -0.04068 -0.39998 158 21 H 1S 0.00000 0.00000 0.00000 0.22760 0.00000 159 2S 0.00000 0.00000 0.00000 0.00607 0.00001 160 22 O 1S -0.00778 -0.00147 0.00816 -0.38221 -0.40005 161 2S -0.14686 0.41008 -0.13675 -0.38935 -0.57620 162 2PX 0.00762 -0.00746 -0.00147 -0.05582 -0.07599 163 2PY 0.00948 0.02955 -0.00259 0.13501 0.17065 164 2PZ -0.00772 0.00940 -0.00617 0.02058 0.00399 165 3S 0.59134 -1.45548 0.40990 4.65347 5.24249 166 3PX 0.06258 -1.36962 0.28314 0.18045 0.81931 167 3PY -0.20475 -0.03396 -0.06797 -0.95530 -0.82541 168 3PZ 0.02828 0.98146 -0.16676 -0.01592 -0.39213 169 4XX 0.00149 -0.50047 0.12356 -1.23312 -1.20345 170 4YY 0.04090 0.38768 -0.02786 -1.13387 -1.25950 171 4ZZ -0.04666 -0.13369 0.04525 -1.29791 -1.35579 172 4XY 0.04405 0.42489 -0.07231 0.03977 -0.14550 173 4XZ -0.02099 0.40044 -0.06601 -0.08293 -0.23281 174 4YZ -0.07275 -0.38076 0.05793 -0.08585 0.07048 175 23 O 1S 0.00778 0.00147 -0.00816 -0.38221 0.40005 176 2S 0.14687 -0.41007 0.13675 -0.38934 0.57620 177 2PX -0.00761 0.00746 0.00148 -0.05582 0.07599 178 2PY 0.00948 0.02955 -0.00259 -0.13501 0.17065 179 2PZ 0.00772 -0.00940 0.00617 0.02057 -0.00399 180 3S -0.59136 1.45547 -0.40991 4.65343 -5.24248 181 3PX -0.06259 1.36961 -0.28314 0.18043 -0.81929 182 3PY -0.20475 -0.03393 -0.06798 0.95530 -0.82542 183 3PZ -0.02827 -0.98146 0.16676 -0.01589 0.39211 184 4XX -0.00150 0.50045 -0.12356 -1.23311 1.20346 185 4YY -0.04089 -0.38766 0.02786 -1.13387 1.25949 186 4ZZ 0.04665 0.13368 -0.04525 -1.29790 1.35579 187 4XY 0.04404 0.42491 -0.07231 -0.03977 -0.14550 188 4XZ 0.02100 -0.40042 0.06601 -0.08293 0.23280 189 4YZ -0.07275 -0.38078 0.05794 0.08586 0.07048 181 182 183 184 185 V V V V V Eigenvalues -- 4.12767 4.25202 4.26809 4.36206 4.37018 1 1 C 1S -0.19907 0.26095 -0.08441 -0.04539 -0.23409 2 2S 1.36017 -1.42337 0.52468 0.30991 1.44030 3 2PX 0.01080 -0.10547 0.01633 -0.01671 0.05131 4 2PY -0.05856 0.05468 -0.03040 0.00790 0.17045 5 2PZ 0.00893 0.06995 0.00812 0.04122 -0.01012 6 3S 0.35641 -1.12998 0.30723 -0.08072 0.43257 7 3PX 0.04302 0.24739 -0.00206 0.07929 0.22249 8 3PY 0.02077 -0.03258 0.08950 -0.01353 -0.12381 9 3PZ -0.07000 -0.16171 -0.04682 -0.08659 -0.35808 10 4XX -0.78721 1.01455 -0.31905 -0.15059 -0.89784 11 4YY -0.73405 0.88740 -0.30625 -0.16339 -1.13792 12 4ZZ -0.78827 1.02365 -0.33864 -0.17308 -0.89958 13 4XY 0.00316 -0.02560 0.00044 -0.02793 0.02962 14 4XZ 0.01737 -0.02812 0.01098 -0.00842 0.00806 15 4YZ 0.00185 0.03112 0.00870 0.04187 0.00220 16 2 C 1S -0.19907 0.26095 -0.08441 -0.04543 0.23407 17 2S 1.36022 -1.42340 0.52470 0.31015 -1.44021 18 2PX 0.01080 -0.10547 0.01633 -0.01670 -0.05131 19 2PY 0.05856 -0.05468 0.03040 -0.00793 0.17045 20 2PZ 0.00893 0.06995 0.00812 0.04121 0.01013 21 3S 0.35630 -1.12999 0.30724 -0.08064 -0.43254 22 3PX 0.04307 0.24739 -0.00206 0.07932 -0.22249 23 3PY -0.02083 0.03259 -0.08949 0.01355 -0.12382 24 3PZ -0.07004 -0.16171 -0.04682 -0.08664 0.35807 25 4XX -0.78723 1.01456 -0.31907 -0.15074 0.89778 26 4YY -0.73408 0.88743 -0.30627 -0.16357 1.13787 27 4ZZ -0.78828 1.02366 -0.33866 -0.17323 0.89952 28 4XY -0.00317 0.02561 -0.00044 0.02792 0.02961 29 4XZ 0.01738 -0.02812 0.01098 -0.00842 -0.00806 30 4YZ -0.00185 -0.03112 -0.00870 -0.04187 0.00220 31 3 C 1S -0.10991 -0.06746 -0.02802 -0.12709 0.19383 32 2S 0.69610 0.34282 0.06251 0.55860 -0.67731 33 2PX 0.05141 -0.09100 0.03151 0.00726 -0.09422 34 2PY 0.04693 -0.05455 0.00654 -0.02418 0.04396 35 2PZ -0.00560 0.10238 -0.00148 0.01737 0.02712 36 3S 0.23774 0.50302 0.05734 0.68007 -1.49637 37 3PX 0.03894 0.16182 -0.10905 -0.07501 -0.08010 38 3PY 0.00501 0.15505 0.10801 0.10229 -0.70490 39 3PZ -0.03947 -0.19922 0.06652 -0.13904 -0.01789 40 4XX -0.38368 -0.31940 -0.04988 -0.40213 0.61313 41 4YY -0.43499 -0.27940 -0.10346 -0.49497 0.60514 42 4ZZ -0.33220 -0.22090 -0.01373 -0.40654 0.54940 43 4XY 0.03497 -0.07466 -0.01683 -0.03141 -0.05352 44 4XZ -0.07330 0.04742 -0.02943 0.03615 0.13773 45 4YZ 0.00686 0.09564 0.01768 0.00653 0.01179 46 4 C 1S -0.14562 -0.21551 -0.11482 -0.13170 0.11912 47 2S 0.90788 1.08822 0.64776 0.60517 -0.81985 48 2PX 0.00339 -0.01853 0.01040 0.04726 -0.01355 49 2PY 0.02244 0.00013 0.01532 -0.01491 0.03980 50 2PZ -0.01942 0.03379 0.03518 0.03761 -0.02206 51 3S 0.48731 0.94682 0.35369 0.53368 0.07892 52 3PX -0.01735 0.02341 -0.07100 -0.18577 0.21853 53 3PY -0.06770 -0.06734 -0.01885 -0.02670 0.13381 54 3PZ 0.08597 -0.04604 0.02126 -0.07454 -0.30252 55 4XX -0.57848 -0.82306 -0.44193 -0.48420 0.48327 56 4YY -0.50053 -0.70349 -0.39449 -0.42643 0.56224 57 4ZZ -0.56884 -0.80132 -0.46406 -0.45558 0.46898 58 4XY -0.00709 0.00234 0.00012 0.00630 0.01886 59 4XZ -0.00277 -0.01461 0.01212 -0.01370 0.02760 60 4YZ 0.01476 0.01445 0.00124 0.04841 -0.03770 61 5 C 1S -0.14562 -0.21551 -0.11483 -0.13169 -0.11914 62 2S 0.90787 1.08822 0.64778 0.60507 0.81996 63 2PX 0.00340 -0.01853 0.01040 0.04726 0.01356 64 2PY -0.02244 -0.00013 -0.01533 0.01490 0.03980 65 2PZ -0.01942 0.03379 0.03518 0.03760 0.02207 66 3S 0.48739 0.94682 0.35369 0.53372 -0.07881 67 3PX -0.01735 0.02342 -0.07099 -0.18573 -0.21855 68 3PY 0.06768 0.06733 0.01885 0.02668 0.13381 69 3PZ 0.08593 -0.04605 0.02127 -0.07457 0.30251 70 4XX -0.57849 -0.82306 -0.44194 -0.48415 -0.48336 71 4YY -0.50053 -0.70349 -0.39451 -0.42636 -0.56231 72 4ZZ -0.56884 -0.80132 -0.46407 -0.45552 -0.46906 73 4XY 0.00709 -0.00234 -0.00012 -0.00630 0.01886 74 4XZ -0.00277 -0.01461 0.01212 -0.01369 -0.02760 75 4YZ -0.01476 -0.01444 -0.00124 -0.04840 -0.03771 76 6 C 1S -0.10991 -0.06747 -0.02802 -0.12706 -0.19385 77 2S 0.69614 0.34284 0.06249 0.55850 0.67735 78 2PX 0.05141 -0.09100 0.03151 0.00724 0.09423 79 2PY -0.04693 0.05454 -0.00654 0.02417 0.04397 80 2PZ -0.00559 0.10238 -0.00148 0.01738 -0.02712 81 3S 0.23763 0.50304 0.05733 0.67985 1.49643 82 3PX 0.03895 0.16183 -0.10906 -0.07503 0.08009 83 3PY -0.00494 -0.15505 -0.10801 -0.10218 -0.70491 84 3PZ -0.03949 -0.19923 0.06652 -0.13905 0.01784 85 4XX -0.38370 -0.31942 -0.04987 -0.40204 -0.61316 86 4YY -0.43500 -0.27941 -0.10344 -0.49488 -0.60519 87 4ZZ -0.33222 -0.22092 -0.01372 -0.40646 -0.54943 88 4XY -0.03497 0.07466 0.01684 0.03142 -0.05352 89 4XZ -0.07330 0.04743 -0.02943 0.03617 -0.13773 90 4YZ -0.00686 -0.09564 -0.01768 -0.00654 0.01179 91 7 H 1S 0.08719 -0.09946 0.02925 0.04030 0.06158 92 2S -0.18576 0.14607 -0.12008 -0.09047 -0.28248 93 8 H 1S 0.08719 -0.09946 0.02925 0.04031 -0.06157 94 2S -0.18579 0.14607 -0.12008 -0.09052 0.28246 95 9 H 1S 0.06190 0.03233 0.03188 0.04768 -0.07622 96 2S -0.09575 -0.01852 0.01561 -0.11205 -0.06929 97 10 H 1S 0.06195 0.06900 0.03400 0.02826 -0.03716 98 2S -0.18200 -0.21806 -0.14866 -0.26754 0.21403 99 11 H 1S 0.06194 0.06900 0.03401 0.02826 0.03716 100 2S -0.18199 -0.21805 -0.14866 -0.26751 -0.21407 101 12 H 1S 0.06190 0.03233 0.03188 0.04766 0.07623 102 2S -0.09577 -0.01852 0.01561 -0.11206 0.06928 103 13 H 1S 0.05449 0.05962 0.04201 0.05721 0.08180 104 2S -0.17675 -0.22837 -0.07696 -0.01555 -0.14860 105 14 H 1S 0.05449 0.05962 0.04201 0.05723 -0.08179 106 2S -0.17676 -0.22837 -0.07696 -0.01557 0.14859 107 15 C 1S 0.06725 -0.05252 -0.40598 0.21149 0.00002 108 2S -0.25837 0.36941 2.24859 -1.34939 -0.00010 109 2PX -0.00837 -0.05109 -0.11168 0.04492 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 -0.00150 111 2PZ 0.00503 0.06345 0.10707 -0.04131 0.00000 112 3S -0.67829 -0.51316 2.05258 -1.32838 -0.00010 113 3PX -0.13185 -0.20291 0.09294 0.02952 0.00000 114 3PY 0.00001 0.00000 0.00000 -0.00001 0.14475 115 3PZ 0.09211 0.13850 -0.02567 -0.04797 0.00000 116 4XX 0.21285 -0.22350 -1.53767 0.88449 0.00007 117 4YY 0.23201 -0.21203 -1.73855 0.98670 0.00007 118 4ZZ 0.22393 -0.24281 -1.56238 0.85052 0.00006 119 4XY 0.00000 0.00000 0.00000 0.00000 -0.00711 120 4XZ 0.03895 0.03607 0.03273 -0.07873 -0.00001 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00642 122 16 C 1S -0.19128 -0.07306 0.14508 0.25575 0.11796 123 2S 1.23012 0.54297 -0.63368 -1.30941 -0.92778 124 2PX 0.05215 0.01534 -0.00531 -0.01098 -0.03724 125 2PY 0.06974 0.06631 0.00614 -0.03772 0.08655 126 2PZ -0.03585 -0.00414 0.04879 0.08643 0.03192 127 3S 0.46726 -0.12338 -0.41160 -1.23927 -0.31630 128 3PX -0.05188 0.27412 -0.01879 -0.02016 0.32896 129 3PY -0.03774 -0.04778 -0.18477 0.09211 0.03820 130 3PZ -0.00230 -0.29378 -0.16526 -0.24570 0.02345 131 4XX -0.77667 -0.32375 0.50678 0.99711 0.55964 132 4YY -0.69153 -0.27527 0.44703 0.87277 0.64061 133 4ZZ -0.76246 -0.32102 0.52696 0.98213 0.51963 134 4XY -0.01170 -0.00352 0.02671 0.04985 0.03220 135 4XZ 0.01768 0.06141 0.00860 -0.06509 -0.00592 136 4YZ -0.00492 0.02030 0.00695 0.00400 0.00790 137 17 C 1S -0.19128 -0.07306 0.14508 0.25577 -0.11792 138 2S 1.23005 0.54297 -0.63368 -1.30955 0.92758 139 2PX 0.05214 0.01534 -0.00531 -0.01099 0.03724 140 2PY -0.06974 -0.06631 -0.00614 0.03770 0.08656 141 2PZ -0.03585 -0.00414 0.04879 0.08644 -0.03190 142 3S 0.46746 -0.12339 -0.41160 -1.23930 0.31612 143 3PX -0.05197 0.27413 -0.01879 -0.02012 -0.32897 144 3PY 0.03771 0.04779 0.18477 -0.09212 0.03820 145 3PZ -0.00219 -0.29377 -0.16526 -0.24569 -0.02349 146 4XX -0.77663 -0.32375 0.50678 0.99720 -0.55948 147 4YY -0.69148 -0.27527 0.44703 0.87287 -0.64047 148 4ZZ -0.76242 -0.32102 0.52696 0.98221 -0.51948 149 4XY 0.01170 0.00352 -0.02671 -0.04985 0.03219 150 4XZ 0.01767 0.06141 0.00860 -0.06509 0.00591 151 4YZ 0.00492 -0.02029 -0.00695 -0.00400 0.00789 152 18 H 1S 0.00035 0.06936 0.08066 -0.02108 0.00000 153 2S 0.12997 0.03766 -0.44940 0.33232 0.00003 154 19 H 1S 0.09945 0.01257 -0.08136 -0.07091 -0.08960 155 2S -0.18692 -0.17310 0.01684 0.20804 0.13719 156 20 H 1S 0.09945 0.01257 -0.08136 -0.07092 0.08959 157 2S -0.18689 -0.17310 0.01684 0.20806 -0.13717 158 21 H 1S 0.00424 0.05868 0.08715 -0.02326 0.00000 159 2S 0.07084 -0.04048 -0.42377 0.27729 0.00002 160 22 O 1S -0.01894 -0.09696 0.06213 -0.11349 0.05526 161 2S -0.04197 -0.20530 -0.03600 -0.09094 0.03461 162 2PX 0.03447 0.00229 -0.04231 -0.04605 0.02269 163 2PY 0.00361 0.02744 -0.05073 0.07973 -0.03102 164 2PZ -0.03322 -0.00120 0.03426 0.01604 -0.02040 165 3S 0.27679 1.47851 -0.67477 1.52536 -0.68523 166 3PX 0.02109 0.14839 -0.04658 0.11363 0.04062 167 3PY -0.10411 -0.36484 -0.07381 -0.10067 0.06051 168 3PZ 0.01859 -0.05688 0.08284 0.00384 0.00986 169 4XX -0.00411 -0.26620 0.16921 -0.44034 0.23250 170 4YY -0.07104 -0.25351 0.41470 -0.46455 0.18869 171 4ZZ -0.03511 -0.31334 0.17555 -0.43528 0.19912 172 4XY -0.04942 -0.01888 0.14324 -0.02006 -0.03237 173 4XZ -0.06882 -0.07566 -0.01348 0.13459 -0.04370 174 4YZ 0.02819 -0.01142 -0.14875 0.02485 0.02477 175 23 O 1S -0.01897 -0.09696 0.06213 -0.11348 -0.05527 176 2S -0.04202 -0.20530 -0.03600 -0.09094 -0.03462 177 2PX 0.03447 0.00229 -0.04231 -0.04604 -0.02270 178 2PY -0.00362 -0.02744 0.05073 -0.07973 -0.03103 179 2PZ -0.03322 -0.00120 0.03426 0.01603 0.02040 180 3S 0.27721 1.47852 -0.67480 1.52528 0.68544 181 3PX 0.02116 0.14838 -0.04658 0.11364 -0.04061 182 3PY 0.10417 0.36484 0.07381 0.10067 0.06053 183 3PZ 0.01856 -0.05687 0.08284 0.00384 -0.00985 184 4XX -0.00420 -0.26620 0.16921 -0.44031 -0.23256 185 4YY -0.07114 -0.25351 0.41469 -0.46452 -0.18876 186 4ZZ -0.03522 -0.31334 0.17556 -0.43526 -0.19918 187 4XY 0.04944 0.01888 -0.14324 0.02006 -0.03237 188 4XZ -0.06884 -0.07566 -0.01348 0.13458 0.04372 189 4YZ -0.02820 0.01142 0.14876 -0.02486 0.02477 186 187 188 189 V V V V Eigenvalues -- 4.44857 4.48935 4.64966 4.87452 1 1 C 1S 0.04280 -0.24216 -0.03738 0.11023 2 2S -0.21218 1.19018 0.30003 -0.33656 3 2PX -0.09758 0.08944 0.01816 -0.05852 4 2PY 0.08020 0.11208 0.02022 0.02656 5 2PZ 0.08308 -0.06553 -0.01300 0.07667 6 3S -0.59545 2.23757 0.13887 -3.99624 7 3PX 0.15489 -0.42206 0.08789 1.25059 8 3PY -0.05355 -0.47941 0.09225 0.81467 9 3PZ -0.11880 0.33627 -0.07151 -1.24685 10 4XX 0.21910 -0.88227 -0.17578 0.40026 11 4YY 0.18357 -1.09644 -0.25492 0.47311 12 4ZZ 0.22466 -0.90360 -0.16789 0.40659 13 4XY -0.10511 0.05596 0.05226 -0.12982 14 4XZ -0.07639 0.02440 0.04122 -0.07580 15 4YZ 0.07635 -0.05264 0.00126 0.11044 16 2 C 1S 0.04282 0.24215 0.03738 -0.11023 17 2S -0.21228 -1.19015 -0.30003 0.33657 18 2PX -0.09759 -0.08943 -0.01816 0.05852 19 2PY -0.08019 0.11208 0.02022 0.02657 20 2PZ 0.08308 0.06553 0.01300 -0.07667 21 3S -0.59558 -2.23752 -0.13888 3.99625 22 3PX 0.15491 0.42205 -0.08789 -1.25062 23 3PY 0.05353 -0.47939 0.09224 0.81461 24 3PZ -0.11881 -0.33627 0.07151 1.24687 25 4XX 0.21917 0.88224 0.17579 -0.40026 26 4YY 0.18366 1.09642 0.25492 -0.47313 27 4ZZ 0.22472 0.90357 0.16789 -0.40659 28 4XY 0.10512 0.05595 0.05226 -0.12982 29 4XZ -0.07639 -0.02440 -0.04122 0.07580 30 4YZ -0.07635 -0.05263 0.00126 0.11044 31 3 C 1S -0.31019 -0.01768 -0.06330 0.39729 32 2S 1.68120 0.20890 0.63544 -0.86936 33 2PX -0.01698 -0.06181 -0.02304 -0.03928 34 2PY -0.09743 -0.04326 -0.02358 0.23823 35 2PZ 0.00165 0.06095 0.02871 -0.00257 36 3S 2.08456 0.18126 0.58305 -5.57592 37 3PX -0.10548 0.23123 0.07556 0.02230 38 3PY 0.20668 0.16626 0.01746 -2.17165 39 3PZ 0.09637 -0.15244 0.18174 -0.16679 40 4XX -1.20505 -0.20749 -0.35225 1.24843 41 4YY -1.18911 -0.11232 -0.29725 1.23880 42 4ZZ -1.30358 -0.06088 -0.44324 1.26343 43 4XY -0.03524 -0.04980 0.04074 0.05451 44 4XZ 0.10808 0.04975 0.03872 -0.08151 45 4YZ -0.01141 0.09008 -0.02056 -0.02981 46 4 C 1S 0.16797 -0.21055 0.29790 -0.02103 47 2S -0.86754 1.00776 -1.24072 0.07126 48 2PX 0.01013 -0.02444 -0.02140 -0.03681 49 2PY -0.02350 -0.03248 0.02924 0.01344 50 2PZ -0.07698 0.03357 -0.10518 -0.09487 51 3S -1.27565 1.69270 -2.92592 2.19372 52 3PX -0.00802 0.11097 0.25117 0.70003 53 3PY 0.12522 0.16534 -0.45999 0.12990 54 3PZ 0.23327 -0.09184 0.38997 -0.65228 55 4XX 0.64201 -0.75627 1.00221 -0.04237 56 4YY 0.57644 -0.86677 1.18726 -0.08409 57 4ZZ 0.75183 -0.74120 1.07432 -0.10624 58 4XY -0.02899 0.02893 -0.00100 0.03454 59 4XZ -0.05158 -0.00088 -0.01518 0.05015 60 4YZ 0.09800 -0.01053 0.07549 -0.09365 61 5 C 1S 0.16798 0.21054 -0.29790 0.02103 62 2S -0.86756 -1.00770 1.24072 -0.07126 63 2PX 0.01013 0.02444 0.02140 0.03681 64 2PY 0.02351 -0.03248 0.02923 0.01344 65 2PZ -0.07698 -0.03357 0.10518 0.09487 66 3S -1.27570 -1.69261 2.92591 -2.19375 67 3PX -0.00801 -0.11097 -0.25117 -0.70001 68 3PY -0.12523 0.16535 -0.45998 0.12988 69 3PZ 0.23327 0.09183 -0.38998 0.65230 70 4XX 0.64202 0.75623 -1.00221 0.04237 71 4YY 0.57646 0.86674 -1.18726 0.08411 72 4ZZ 0.75184 0.74115 -1.07431 0.10624 73 4XY 0.02899 0.02893 -0.00100 0.03454 74 4XZ -0.05158 0.00089 0.01518 -0.05015 75 4YZ -0.09801 -0.01052 0.07548 -0.09365 76 6 C 1S -0.31019 0.01770 0.06330 -0.39729 77 2S 1.68119 -0.20897 -0.63547 0.86936 78 2PX -0.01697 0.06181 0.02304 0.03927 79 2PY 0.09743 -0.04327 -0.02359 0.23823 80 2PZ 0.00165 -0.06096 -0.02871 0.00258 81 3S 2.08458 -0.18137 -0.58306 5.57595 82 3PX -0.10550 -0.23123 -0.07556 -0.02227 83 3PY -0.20668 0.16627 0.01746 -2.17164 84 3PZ 0.09636 0.15243 -0.18174 0.16671 85 4XX -1.20505 0.20755 0.35227 -1.24842 86 4YY -1.18912 0.11237 0.29727 -1.23880 87 4ZZ -1.30358 0.06095 0.44326 -1.26344 88 4XY 0.03524 -0.04980 0.04074 0.05451 89 4XZ 0.10807 -0.04976 -0.03872 0.08152 90 4YZ 0.01142 0.09008 -0.02057 -0.02980 91 7 H 1S 0.00537 0.07286 0.00564 -0.04271 92 2S 0.02408 -0.06612 -0.11385 -0.30478 93 8 H 1S 0.00536 -0.07286 -0.00564 0.04271 94 2S 0.02409 0.06611 0.11385 0.30478 95 9 H 1S 0.05468 0.03349 0.00482 -0.08321 96 2S -0.29990 0.04597 -0.07286 -0.13430 97 10 H 1S -0.01870 0.00392 0.06363 -0.04795 98 2S 0.21772 -0.17506 0.41163 0.18198 99 11 H 1S -0.01870 -0.00392 -0.06363 0.04794 100 2S 0.21772 0.17505 -0.41163 -0.18196 101 12 H 1S 0.05467 -0.03350 -0.00482 0.08321 102 2S -0.29990 -0.04596 0.07287 0.13429 103 13 H 1S -0.01389 0.00436 0.00313 0.14580 104 2S 0.13793 0.27344 -0.14864 0.16922 105 14 H 1S -0.01389 -0.00436 -0.00313 -0.14580 106 2S 0.13792 -0.27345 0.14863 -0.16922 107 15 C 1S -0.08863 0.00000 0.00000 0.00000 108 2S 0.39750 -0.00001 0.00000 0.00000 109 2PX -0.04051 0.00000 0.00000 0.00000 110 2PY 0.00000 -0.01241 -0.02389 -0.07389 111 2PZ -0.00769 0.00000 0.00000 0.00000 112 3S 0.79347 -0.00001 -0.00001 0.00002 113 3PX 0.21535 0.00000 0.00000 0.00001 114 3PY 0.00000 -0.15141 -0.07403 -0.10261 115 3PZ 0.06617 0.00000 0.00000 0.00000 116 4XX -0.33204 0.00001 0.00000 0.00000 117 4YY -0.33342 0.00001 0.00001 0.00000 118 4ZZ -0.31765 0.00001 0.00000 0.00000 119 4XY 0.00000 -0.01474 0.01886 -0.00688 120 4XZ -0.00225 0.00000 0.00000 0.00000 121 4YZ 0.00000 -0.00055 -0.02226 -0.04360 122 16 C 1S 0.00631 -0.17834 -0.24161 -0.21138 123 2S 0.16535 0.98153 0.91673 0.15203 124 2PX 0.00815 0.01937 -0.00520 -0.08699 125 2PY -0.00338 -0.09664 -0.10305 -0.04915 126 2PZ -0.01512 -0.02679 -0.11076 -0.04975 127 3S -0.34569 1.01628 3.28320 5.19226 128 3PX -0.09564 0.41256 -0.36038 -0.33780 129 3PY 0.12760 0.07952 1.05946 1.23594 130 3PZ -0.04666 -0.34423 0.93866 1.67728 131 4XX -0.07578 -0.72295 -0.85733 -0.48363 132 4YY -0.01742 -0.85063 -0.97511 -0.67537 133 4ZZ -0.02167 -0.68692 -0.83962 -0.56742 134 4XY 0.01693 -0.02066 0.00859 0.00885 135 4XZ -0.01703 0.07021 -0.00944 -0.01514 136 4YZ 0.00893 0.04285 0.04806 0.04246 137 17 C 1S 0.00632 0.17835 0.24161 0.21138 138 2S 0.16530 -0.98156 -0.91673 -0.15203 139 2PX 0.00814 -0.01937 0.00520 0.08698 140 2PY 0.00338 -0.09664 -0.10305 -0.04915 141 2PZ -0.01512 0.02679 0.11075 0.04975 142 3S -0.34574 -1.01629 -3.28319 -5.19229 143 3PX -0.09568 -0.41257 0.36038 0.33780 144 3PY -0.12759 0.07952 1.05949 1.23600 145 3PZ -0.04665 0.34423 -0.93862 -1.67725 146 4XX -0.07574 0.72298 0.85732 0.48363 147 4YY -0.01738 0.85065 0.97509 0.67537 148 4ZZ -0.02164 0.68695 0.83961 0.56742 149 4XY -0.01693 -0.02066 0.00859 0.00885 150 4XZ -0.01704 -0.07021 0.00944 0.01514 151 4YZ -0.00893 0.04286 0.04806 0.04246 152 18 H 1S -0.02607 0.00000 0.00000 0.00000 153 2S -0.23883 0.00000 0.00000 -0.00001 154 19 H 1S 0.03107 -0.03383 0.07911 -0.01537 155 2S 0.07583 -0.31711 0.14416 0.19381 156 20 H 1S 0.03107 0.03383 -0.07911 0.01536 157 2S 0.07584 0.31711 -0.14416 -0.19381 158 21 H 1S 0.02023 0.00000 0.00000 0.00000 159 2S -0.02663 0.00000 0.00000 0.00000 160 22 O 1S 0.02244 -0.02133 -0.07044 -0.15857 161 2S 0.01407 0.04379 -0.12985 -0.41042 162 2PX -0.00745 -0.03176 -0.02758 -0.06403 163 2PY -0.01808 0.02828 0.03197 0.06993 164 2PZ 0.01784 0.00970 0.01486 0.00948 165 3S -0.30138 0.07669 1.41360 3.01485 166 3PX 0.05696 -0.15152 0.21134 0.68384 167 3PY 0.08089 0.00402 -0.18126 -0.45749 168 3PZ -0.09215 0.14392 -0.03796 -0.20514 169 4XX 0.09211 -0.15366 -0.24674 -0.44272 170 4YY 0.09741 -0.07916 -0.24797 -0.51733 171 4ZZ 0.06825 -0.10328 -0.25736 -0.55333 172 4XY 0.02039 0.06394 0.02900 -0.03263 173 4XZ -0.02571 0.09104 0.09142 -0.00221 174 4YZ -0.01583 -0.05792 -0.02230 -0.00449 175 23 O 1S 0.02244 0.02133 0.07044 0.15857 176 2S 0.01406 -0.04379 0.12985 0.41042 177 2PX -0.00745 0.03176 0.02758 0.06403 178 2PY 0.01808 0.02828 0.03197 0.06993 179 2PZ 0.01784 -0.00970 -0.01486 -0.00948 180 3S -0.30133 -0.07669 -1.41359 -3.01485 181 3PX 0.05698 0.15151 -0.21134 -0.68384 182 3PY -0.08088 0.00402 -0.18126 -0.45749 183 3PZ -0.09217 -0.14392 0.03796 0.20513 184 4XX 0.09210 0.15365 0.24674 0.44272 185 4YY 0.09740 0.07917 0.24797 0.51733 186 4ZZ 0.06824 0.10328 0.25736 0.55333 187 4XY -0.02039 0.06394 0.02901 -0.03263 188 4XZ -0.02572 -0.09104 -0.09142 0.00221 189 4YZ 0.01583 -0.05792 -0.02231 -0.00449 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05271 2 2S -0.06213 0.32496 3 2PX -0.00133 -0.00226 0.36897 4 2PY -0.00053 -0.00162 0.00011 0.41335 5 2PZ -0.00083 0.00777 -0.03332 0.00266 0.39023 6 3S -0.16067 0.24765 0.01951 -0.01122 -0.02947 7 3PX -0.00664 0.02275 0.18140 0.01273 0.07523 8 3PY -0.00378 0.01621 0.01321 0.13842 0.02579 9 3PZ 0.00494 -0.01459 0.05969 0.00573 0.16793 10 4XX -0.01431 -0.00947 -0.00801 0.00593 -0.00344 11 4YY -0.01700 -0.00308 0.00428 -0.01307 -0.00040 12 4ZZ -0.01612 -0.00535 0.00689 0.01026 -0.00256 13 4XY -0.00088 0.00123 0.00498 -0.00024 -0.01075 14 4XZ 0.00455 -0.00944 -0.00068 -0.00920 0.00219 15 4YZ 0.00203 -0.00342 -0.00949 -0.00196 0.01031 16 2 C 1S 0.01672 -0.03254 -0.00479 0.07797 -0.00359 17 2S -0.03254 0.05577 0.01028 -0.16058 0.00091 18 2PX -0.00479 0.01028 0.11572 -0.00850 0.08833 19 2PY -0.07797 0.16058 0.00850 -0.31237 0.00039 20 2PZ -0.00359 0.00091 0.08833 -0.00040 0.08702 21 3S -0.00467 0.03451 0.00797 -0.12660 0.05753 22 3PX -0.00094 -0.00533 0.08530 -0.01487 0.03723 23 3PY -0.01400 0.04348 0.01552 -0.09114 0.01191 24 3PZ -0.00371 0.00939 0.04784 0.01855 0.07391 25 4XX 0.00249 -0.00552 -0.00010 0.00873 -0.00017 26 4YY -0.00695 0.01218 -0.00108 -0.00580 0.00050 27 4ZZ 0.00269 -0.00612 -0.00091 0.00925 -0.00155 28 4XY -0.00016 -0.00021 0.01297 0.00146 0.00018 29 4XZ -0.00058 0.00150 0.00061 -0.00312 -0.00043 30 4YZ 0.00018 0.00010 -0.00005 0.00022 0.01358 31 3 C 1S -0.00340 0.00831 -0.00083 -0.01224 0.00587 32 2S 0.00823 -0.01879 0.00174 0.03290 -0.01501 33 2PX 0.00832 -0.02655 -0.00638 0.03169 -0.02711 34 2PY 0.01167 -0.02675 0.00246 0.03374 -0.00710 35 2PZ -0.00446 0.01369 -0.02038 -0.01505 -0.00551 36 3S 0.00597 -0.02039 0.03770 0.02416 -0.04546 37 3PX 0.00436 -0.01395 -0.00490 0.01849 -0.03621 38 3PY 0.00283 -0.01068 0.00153 -0.00564 -0.01117 39 3PZ -0.00411 0.00852 -0.03958 -0.02545 -0.01414 40 4XX 0.00055 -0.00122 0.00654 0.00245 0.00489 41 4YY -0.00184 0.00439 -0.00163 -0.00978 0.00043 42 4ZZ 0.00071 -0.00116 -0.00388 0.00242 -0.00350 43 4XY -0.00099 0.00185 0.00106 -0.00569 0.00147 44 4XZ -0.00063 0.00122 0.00247 -0.00138 0.00179 45 4YZ 0.00075 -0.00145 0.00232 0.00452 0.00111 46 4 C 1S -0.00267 0.00503 -0.00128 -0.00375 0.00577 47 2S 0.00479 -0.00883 -0.00214 0.00681 -0.01508 48 2PX 0.00207 -0.00444 -0.00674 0.00763 -0.00881 49 2PY 0.00390 -0.00856 0.02849 -0.01161 -0.00380 50 2PZ -0.00787 0.01255 0.01133 -0.02367 0.02037 51 3S 0.01324 -0.02297 0.02357 0.03018 -0.00944 52 3PX 0.00106 -0.00172 -0.00051 0.00183 -0.00167 53 3PY 0.00348 -0.00737 0.02761 -0.00891 0.00192 54 3PZ -0.00485 0.00736 0.00615 -0.02432 0.00453 55 4XX -0.00029 0.00034 0.00037 0.00022 0.00077 56 4YY -0.00010 0.00024 -0.00060 -0.00192 -0.00177 57 4ZZ 0.00024 -0.00041 -0.00010 0.00197 0.00059 58 4XY 0.00007 -0.00035 0.00023 -0.00100 -0.00059 59 4XZ -0.00019 0.00044 0.00102 -0.00088 0.00064 60 4YZ -0.00020 0.00082 -0.00128 0.00015 0.00008 61 5 C 1S -0.00300 0.00562 -0.00514 0.00155 0.01145 62 2S 0.00650 -0.01505 0.01444 -0.00592 -0.02805 63 2PX 0.00839 -0.02187 -0.00068 -0.01087 -0.03290 64 2PY 0.00131 -0.00319 0.00229 0.00421 -0.00689 65 2PZ -0.01208 0.03132 -0.04903 0.00703 0.02307 66 3S 0.00759 -0.01647 -0.00175 0.01091 -0.07810 67 3PX 0.00455 -0.00903 -0.00129 -0.00744 -0.01497 68 3PY 0.00411 -0.00872 0.00735 0.00451 -0.02096 69 3PZ -0.00802 0.01863 -0.04076 -0.00837 0.02260 70 4XX -0.00114 0.00235 0.00086 0.00219 0.00526 71 4YY 0.00068 -0.00152 0.00310 -0.00171 -0.00200 72 4ZZ -0.00030 0.00016 -0.00630 0.00095 -0.00133 73 4XY 0.00024 -0.00073 0.00134 0.00013 0.00012 74 4XZ 0.00130 -0.00292 -0.00156 -0.00304 -0.00928 75 4YZ -0.00054 0.00141 -0.00384 0.00173 0.00056 76 6 C 1S 0.01788 -0.03602 0.05991 -0.03620 -0.04301 77 2S -0.03384 0.06176 -0.12166 0.07534 0.08348 78 2PX -0.05515 0.11750 0.00707 0.13524 0.24259 79 2PY 0.03905 -0.07545 0.13785 -0.05072 -0.06403 80 2PZ 0.04364 -0.08981 0.21175 -0.08011 -0.01513 81 3S -0.00917 0.03347 -0.13111 0.05000 0.09080 82 3PX -0.01230 0.03508 0.04974 0.06232 0.12908 83 3PY 0.00984 -0.02573 0.05357 -0.00539 -0.02376 84 3PZ 0.00436 -0.01208 0.09572 -0.03267 0.02877 85 4XX -0.00196 0.00317 0.01089 0.00515 0.00700 86 4YY 0.00153 -0.00338 0.00154 -0.01234 -0.00144 87 4ZZ 0.00017 -0.00118 -0.00180 0.00099 -0.01328 88 4XY 0.00334 -0.00665 0.00346 0.00259 -0.00806 89 4XZ 0.00415 -0.00766 0.00321 -0.00661 -0.00046 90 4YZ -0.00299 0.00599 -0.00806 -0.00166 0.00179 91 7 H 1S -0.06016 0.11224 0.13265 0.13077 -0.18748 92 2S -0.01303 0.02496 0.12151 0.11786 -0.18086 93 8 H 1S 0.01228 -0.02562 -0.01875 0.04294 0.01319 94 2S 0.01464 -0.02568 -0.03389 0.08633 0.03937 95 9 H 1S -0.00849 0.01865 -0.00146 -0.03521 0.00130 96 2S -0.01195 0.02528 -0.01055 -0.06878 0.00305 97 10 H 1S -0.00059 0.00017 -0.00193 -0.00229 -0.00061 98 2S -0.00092 -0.00024 -0.00534 -0.00699 -0.00762 99 11 H 1S -0.00759 0.01927 -0.00234 0.01532 0.03244 100 2S -0.01116 0.02904 0.00205 0.02105 0.07096 101 12 H 1S 0.01211 -0.02454 0.02455 -0.03575 -0.01201 102 2S 0.01361 -0.02472 0.04781 -0.07142 -0.01045 103 13 H 1S 0.00158 -0.00347 -0.02933 -0.00309 -0.02866 104 2S 0.00141 -0.00405 -0.02930 0.00014 -0.02535 105 14 H 1S -0.00137 0.00184 0.00285 0.00018 0.00657 106 2S -0.00228 0.00336 0.01502 0.00379 0.01956 107 15 C 1S -0.00034 0.00050 -0.00186 0.00057 -0.00048 108 2S 0.00067 -0.00179 0.00525 -0.00021 0.00168 109 2PX 0.00090 -0.00226 0.00497 -0.00063 0.00143 110 2PY 0.00109 -0.00156 0.00104 -0.00156 -0.00200 111 2PZ 0.00032 0.00003 -0.00697 -0.00135 -0.00801 112 3S 0.00165 -0.00332 0.01102 -0.00436 0.00235 113 3PX -0.00030 0.00055 0.00236 -0.00139 0.00356 114 3PY 0.00028 -0.00057 0.00141 -0.00024 0.00167 115 3PZ -0.00027 0.00123 -0.01151 -0.00190 -0.00960 116 4XX -0.00023 0.00067 -0.00161 0.00012 -0.00048 117 4YY 0.00009 -0.00031 0.00023 -0.00001 0.00004 118 4ZZ 0.00007 -0.00029 0.00126 0.00012 0.00031 119 4XY -0.00002 0.00031 0.00120 0.00028 0.00135 120 4XZ 0.00002 -0.00015 0.00061 0.00025 0.00047 121 4YZ -0.00011 0.00011 0.00132 0.00029 0.00148 122 16 C 1S -0.00069 0.00137 -0.01089 -0.00262 -0.00738 123 2S 0.00058 -0.00173 0.02273 0.00401 0.01701 124 2PX 0.00297 -0.00820 0.07781 0.01577 0.05630 125 2PY 0.00009 0.00136 -0.01163 -0.00430 -0.01177 126 2PZ 0.00128 -0.00391 0.05907 0.01022 0.04328 127 3S 0.00390 -0.00677 0.05255 0.01290 0.03693 128 3PX 0.00129 -0.00638 0.05986 0.01205 0.04005 129 3PY 0.00151 -0.00182 -0.02887 -0.00198 -0.02421 130 3PZ 0.00188 -0.00093 0.04678 0.01428 0.04463 131 4XX -0.00022 0.00029 -0.00077 -0.00019 0.00000 132 4YY -0.00006 0.00020 0.00040 -0.00036 0.00041 133 4ZZ -0.00029 0.00039 -0.00168 -0.00028 -0.00081 134 4XY 0.00007 -0.00073 0.00112 0.00003 -0.00003 135 4XZ 0.00015 -0.00017 0.00113 0.00034 0.00070 136 4YZ 0.00021 -0.00063 0.00166 0.00047 0.00061 137 17 C 1S -0.00178 0.00269 -0.00919 -0.00007 -0.00379 138 2S 0.00265 -0.00452 0.02100 -0.00007 0.01060 139 2PX 0.00503 -0.01912 0.03137 0.00231 0.00562 140 2PY 0.00170 -0.00504 0.01827 0.00155 0.01159 141 2PZ 0.00224 -0.00609 0.00582 0.00214 -0.00874 142 3S 0.00362 -0.01131 0.05396 -0.00009 0.02765 143 3PX 0.00660 -0.01009 0.00585 0.00333 -0.00106 144 3PY 0.00256 -0.00680 0.01974 -0.00114 0.01112 145 3PZ 0.00154 -0.01149 0.02472 0.00222 -0.00967 146 4XX -0.00079 0.00083 -0.00598 -0.00039 -0.00412 147 4YY -0.00013 -0.00023 0.00212 -0.00021 0.00109 148 4ZZ -0.00029 0.00012 0.00135 -0.00021 0.00082 149 4XY 0.00016 -0.00026 -0.00434 -0.00101 -0.00386 150 4XZ 0.00048 -0.00093 -0.00196 -0.00047 -0.00187 151 4YZ -0.00029 0.00044 -0.00517 -0.00091 -0.00430 152 18 H 1S 0.00063 -0.00138 0.00488 0.00007 0.00086 153 2S 0.00066 -0.00226 0.01325 0.00430 0.00874 154 19 H 1S 0.00040 -0.00107 -0.00591 0.00079 -0.00432 155 2S 0.00059 -0.00059 -0.02536 0.00061 -0.01693 156 20 H 1S 0.00083 -0.00296 0.02683 0.00212 0.02058 157 2S 0.00005 -0.00132 0.01967 0.00411 0.00494 158 21 H 1S -0.00094 0.00273 -0.00763 -0.00022 -0.00253 159 2S -0.00200 0.00547 -0.01683 -0.00112 -0.00555 160 22 O 1S 0.00025 -0.00140 0.00322 -0.00047 0.00086 161 2S -0.00129 0.00318 -0.00263 0.00153 0.00027 162 2PX -0.00317 0.01246 -0.00852 0.00184 0.00689 163 2PY -0.00082 -0.00223 0.00005 0.00070 0.00066 164 2PZ -0.00062 0.00105 -0.00173 -0.00194 0.00447 165 3S 0.00114 0.00790 -0.03873 0.00181 -0.01429 166 3PX -0.00189 0.01050 -0.01370 0.00021 0.00372 167 3PY -0.00093 -0.00179 0.00430 0.00012 0.00182 168 3PZ -0.00173 0.00208 0.00205 -0.00177 0.00526 169 4XX -0.00008 -0.00055 0.00230 0.00019 0.00099 170 4YY -0.00033 -0.00005 0.00142 0.00003 0.00070 171 4ZZ -0.00035 0.00000 0.00131 0.00040 0.00115 172 4XY 0.00003 -0.00064 0.00059 -0.00017 -0.00032 173 4XZ -0.00017 -0.00006 0.00018 -0.00001 -0.00009 174 4YZ 0.00007 0.00021 -0.00132 -0.00016 -0.00089 175 23 O 1S 0.00003 0.00038 0.00239 0.00041 0.00198 176 2S 0.00010 -0.00105 -0.00425 -0.00032 -0.00298 177 2PX -0.00146 0.00392 -0.04302 -0.00710 -0.03015 178 2PY -0.00082 -0.00067 0.00103 -0.00082 0.00200 179 2PZ -0.00083 0.00297 -0.03259 -0.00412 -0.02205 180 3S -0.00062 -0.00216 -0.01710 -0.00387 -0.01806 181 3PX -0.00134 0.00261 -0.03878 -0.00824 -0.03032 182 3PY -0.00076 -0.00013 0.00031 -0.00031 0.00157 183 3PZ -0.00103 0.00346 -0.03012 -0.00421 -0.01983 184 4XX 0.00009 -0.00010 0.00275 0.00069 0.00236 185 4YY 0.00004 0.00005 0.00045 0.00012 0.00073 186 4ZZ 0.00015 -0.00011 -0.00128 0.00009 -0.00096 187 4XY -0.00003 0.00009 -0.00141 -0.00026 -0.00123 188 4XZ -0.00002 0.00004 0.00042 0.00002 0.00035 189 4YZ 0.00002 -0.00009 -0.00003 0.00013 -0.00002 6 7 8 9 10 6 3S 0.25009 7 3PX 0.00529 0.11999 8 3PY -0.00772 0.02130 0.06236 9 3PZ -0.01273 0.06577 0.01396 0.09329 10 4XX -0.00562 -0.00526 -0.00006 -0.00248 0.00092 11 4YY -0.00311 0.00157 -0.00297 0.00079 -0.00023 12 4ZZ -0.00246 0.00264 0.00301 0.00047 0.00022 13 4XY 0.00261 -0.00016 0.00037 -0.00330 -0.00019 14 4XZ -0.00814 -0.00040 -0.00261 0.00111 0.00007 15 4YZ -0.00706 -0.00159 0.00072 0.00212 -0.00003 16 2 C 1S -0.00467 -0.00094 0.01400 -0.00371 0.00249 17 2S 0.03451 -0.00533 -0.04348 0.00939 -0.00552 18 2PX 0.00797 0.08530 -0.01552 0.04784 -0.00010 19 2PY 0.12660 0.01487 -0.09114 -0.01855 -0.00873 20 2PZ 0.05754 0.03723 -0.01192 0.07391 -0.00017 21 3S -0.01750 0.01591 -0.01404 0.02529 -0.00630 22 3PX 0.01591 0.04726 -0.01987 0.03342 0.00086 23 3PY 0.01403 0.01987 -0.01363 -0.00058 -0.00383 24 3PZ 0.02529 0.03342 0.00058 0.04481 0.00015 25 4XX -0.00630 0.00086 0.00383 0.00015 0.00022 26 4YY 0.01205 0.00009 -0.00269 -0.00090 -0.00029 27 4ZZ -0.00574 -0.00114 0.00259 -0.00105 0.00036 28 4XY 0.00225 0.00623 0.00083 0.00341 -0.00031 29 4XZ 0.00359 0.00029 -0.00186 -0.00022 0.00000 30 4YZ -0.00428 0.00435 0.00192 0.00545 -0.00020 31 3 C 1S -0.00303 0.00672 -0.00510 -0.00511 0.00018 32 2S -0.01977 -0.00622 0.01885 -0.00130 -0.00040 33 2PX 0.05035 -0.04990 -0.02124 0.00967 0.00314 34 2PY -0.09131 0.00084 0.05079 0.00107 -0.00096 35 2PZ -0.01050 -0.00962 -0.00765 -0.02947 0.00187 36 3S -0.00893 0.00720 0.01227 -0.00387 0.00001 37 3PX 0.03723 -0.03354 -0.01960 -0.00655 0.00305 38 3PY -0.02368 -0.00135 0.00591 -0.00062 0.00037 39 3PZ 0.01302 -0.03089 -0.01855 -0.02248 0.00163 40 4XX -0.00039 0.00408 0.00039 0.00387 0.00008 41 4YY 0.00672 -0.00057 -0.00498 -0.00061 -0.00015 42 4ZZ -0.00419 -0.00209 0.00247 -0.00267 0.00001 43 4XY 0.00341 -0.00024 -0.00201 0.00151 -0.00021 44 4XZ 0.00159 0.00231 -0.00038 0.00107 -0.00001 45 4YZ -0.00237 0.00190 0.00139 0.00022 0.00008 46 4 C 1S 0.01091 -0.00010 -0.00349 0.00343 0.00000 47 2S -0.02105 -0.00217 0.00597 -0.00989 0.00002 48 2PX -0.01312 -0.00580 0.01726 -0.00098 -0.00032 49 2PY -0.01906 0.01994 -0.00708 0.00331 -0.00082 50 2PZ 0.07872 -0.00221 -0.02449 0.03397 -0.00066 51 3S -0.06109 0.01894 0.02946 -0.00435 -0.00151 52 3PX -0.00821 -0.00075 0.00912 0.00002 -0.00052 53 3PY -0.01690 0.01748 -0.00055 0.00540 -0.00108 54 3PZ 0.04098 -0.00211 -0.01699 0.01557 -0.00033 55 4XX 0.00343 -0.00067 -0.00109 0.00115 0.00006 56 4YY 0.00111 -0.00062 -0.00183 -0.00139 0.00004 57 4ZZ -0.00283 0.00075 0.00254 0.00033 -0.00006 58 4XY -0.00078 0.00013 -0.00123 -0.00081 -0.00002 59 4XZ 0.00001 0.00164 0.00060 0.00082 -0.00009 60 4YZ -0.00127 0.00001 0.00086 -0.00131 -0.00003 61 5 C 1S 0.00523 -0.00086 0.00403 0.00805 -0.00046 62 2S -0.00898 -0.00033 -0.00849 -0.01522 0.00036 63 2PX -0.02770 -0.00835 -0.02936 -0.02849 0.00027 64 2PY 0.00917 -0.00778 0.00647 -0.00236 0.00009 65 2PZ 0.00219 -0.01027 0.03196 -0.00730 -0.00133 66 3S 0.01674 -0.02532 -0.02143 -0.03851 0.00276 67 3PX -0.00631 -0.00640 -0.01540 -0.01190 0.00006 68 3PY -0.01091 -0.00283 0.00708 -0.00932 -0.00007 69 3PZ -0.00610 -0.00784 0.01123 -0.00484 -0.00042 70 4XX 0.00156 0.00186 0.00296 0.00260 -0.00019 71 4YY -0.00276 0.00146 0.00003 -0.00033 -0.00015 72 4ZZ 0.00089 -0.00367 -0.00189 -0.00193 0.00036 73 4XY -0.00124 0.00085 -0.00104 -0.00037 -0.00004 74 4XZ -0.00203 -0.00284 -0.00235 -0.00493 0.00027 75 4YZ -0.00073 -0.00128 0.00183 -0.00127 0.00005 76 6 C 1S 0.01167 0.00739 -0.00605 0.00475 -0.00160 77 2S 0.01681 -0.03363 0.00949 0.00613 0.00278 78 2PX 0.04581 0.07527 0.09236 0.09988 -0.00836 79 2PY -0.10481 0.06145 0.00968 -0.00561 -0.00424 80 2PZ -0.05016 0.09000 -0.03204 0.03878 -0.00521 81 3S -0.02631 -0.02878 0.00108 0.00198 0.00396 82 3PX -0.00784 0.06573 0.05178 0.06094 -0.00568 83 3PY -0.01880 0.01760 0.00217 0.00261 -0.00159 84 3PZ -0.00661 0.05088 0.00023 0.03337 -0.00484 85 4XX 0.00431 0.00751 0.00330 0.00592 -0.00025 86 4YY -0.00597 0.00072 -0.00312 -0.00082 -0.00024 87 4ZZ 0.00227 -0.00471 -0.00133 -0.00632 0.00025 88 4XY -0.00401 -0.00042 -0.00006 -0.00233 0.00028 89 4XZ -0.00598 0.00115 -0.00283 0.00064 0.00009 90 4YZ 0.00437 -0.00323 0.00034 -0.00096 -0.00001 91 7 H 1S 0.11509 0.03242 0.03912 -0.05971 -0.00192 92 2S 0.05423 0.01788 0.02558 -0.05144 0.00069 93 8 H 1S -0.06039 0.00249 0.01989 -0.00279 0.00081 94 2S -0.06761 0.00572 0.03824 0.00226 0.00160 95 9 H 1S 0.05609 -0.00088 -0.03258 -0.00069 -0.00029 96 2S 0.06422 -0.00665 -0.04800 -0.00210 -0.00007 97 10 H 1S 0.01949 -0.00705 -0.01408 0.00038 0.00055 98 2S 0.02803 -0.01617 -0.02155 -0.00398 0.00080 99 11 H 1S 0.01770 0.00668 0.02873 0.01867 -0.00089 100 2S 0.02302 0.01668 0.03781 0.03879 -0.00252 101 12 H 1S -0.06200 0.01712 -0.00229 -0.00667 -0.00145 102 2S -0.05922 0.02896 -0.00593 -0.00120 -0.00308 103 13 H 1S -0.01230 -0.01935 -0.00436 -0.03019 0.00081 104 2S -0.01121 -0.01789 -0.00456 -0.02564 0.00164 105 14 H 1S 0.02056 -0.00050 0.00488 0.01533 -0.00054 106 2S 0.01847 0.01192 0.00768 0.02316 -0.00055 107 15 C 1S 0.00279 -0.00243 0.00033 -0.00011 -0.00014 108 2S -0.00557 0.00496 -0.00172 0.00179 0.00027 109 2PX -0.01185 0.00676 -0.00378 0.00028 0.00038 110 2PY -0.00972 0.00404 -0.00215 -0.00347 0.00025 111 2PZ -0.00517 -0.00459 -0.00088 -0.00843 -0.00017 112 3S -0.00761 0.00954 -0.00351 0.00353 0.00052 113 3PX -0.00088 0.00233 -0.00134 0.00239 0.00000 114 3PY 0.00171 0.00068 -0.00043 0.00243 -0.00004 115 3PZ 0.00308 -0.01174 -0.00035 -0.00791 -0.00057 116 4XX 0.00206 -0.00194 0.00033 -0.00015 -0.00011 117 4YY 0.00078 -0.00019 0.00022 0.00015 0.00000 118 4ZZ -0.00281 0.00202 -0.00042 -0.00013 0.00010 119 4XY -0.00118 0.00160 0.00109 0.00084 -0.00006 120 4XZ 0.00047 0.00030 0.00028 0.00039 0.00001 121 4YZ 0.00189 0.00040 0.00074 0.00206 -0.00009 122 16 C 1S 0.00207 -0.00807 -0.00240 -0.00513 -0.00017 123 2S 0.00404 0.01433 0.00315 0.01321 0.00011 124 2PX -0.03491 0.07599 0.02114 0.03845 0.00104 125 2PY 0.00094 -0.01105 0.00159 -0.01328 -0.00105 126 2PZ -0.02183 0.05768 0.01045 0.03310 0.00011 127 3S -0.01673 0.04058 0.01633 0.02603 0.00024 128 3PX -0.01873 0.05288 0.01493 0.03147 -0.00003 129 3PY -0.00030 -0.02555 0.00055 -0.01794 -0.00019 130 3PZ -0.02370 0.04984 0.01446 0.02776 -0.00002 131 4XX -0.00099 0.00035 0.00038 0.00045 -0.00005 132 4YY -0.00034 0.00066 -0.00015 -0.00027 0.00002 133 4ZZ 0.00145 -0.00194 -0.00056 -0.00077 -0.00002 134 4XY 0.00062 0.00072 -0.00100 0.00075 0.00027 135 4XZ -0.00230 0.00173 0.00120 -0.00001 -0.00005 136 4YZ -0.00015 0.00124 -0.00023 0.00098 0.00026 137 17 C 1S 0.00660 -0.00950 0.00149 -0.00354 -0.00071 138 2S -0.01526 0.02241 -0.00030 0.00661 0.00088 139 2PX 0.01133 0.02166 -0.01372 0.02091 0.00527 140 2PY -0.00913 0.01859 -0.00229 0.01558 0.00107 141 2PZ -0.00464 0.01003 -0.00721 0.00056 0.00439 142 3S -0.00267 0.04285 -0.01053 0.02490 0.00169 143 3PX 0.00189 0.00790 -0.00921 0.00564 0.00394 144 3PY -0.00725 0.01495 -0.00065 0.01187 0.00084 145 3PZ 0.00411 0.01273 -0.00996 0.00643 0.00308 146 4XX -0.00147 -0.00315 -0.00123 -0.00385 0.00026 147 4YY 0.00113 0.00074 0.00027 0.00119 -0.00010 148 4ZZ 0.00123 0.00017 0.00052 0.00131 -0.00016 149 4XY 0.00143 -0.00423 -0.00158 -0.00243 0.00005 150 4XZ 0.00108 -0.00206 -0.00124 -0.00098 0.00017 151 4YZ 0.00187 -0.00491 -0.00049 -0.00297 0.00001 152 18 H 1S -0.01206 0.00794 -0.00186 -0.00143 0.00039 153 2S -0.01737 0.01861 -0.00056 0.00369 0.00096 154 19 H 1S 0.00813 -0.00940 -0.00345 -0.00179 0.00094 155 2S 0.00618 -0.02183 -0.00528 -0.01227 0.00117 156 20 H 1S -0.00649 0.02163 0.00339 0.01690 -0.00102 157 2S -0.00200 0.01156 0.00512 0.00920 -0.00139 158 21 H 1S 0.01090 -0.00930 0.00200 -0.00085 -0.00050 159 2S 0.01797 -0.01861 0.00258 -0.00354 -0.00101 160 22 O 1S 0.00079 0.00142 -0.00426 0.00192 0.00007 161 2S -0.00745 0.00210 0.00989 -0.00330 -0.00017 162 2PX 0.01266 -0.00817 0.01627 0.00864 -0.00236 163 2PY 0.03844 -0.01578 0.00470 0.01122 -0.00047 164 2PZ 0.04572 -0.02054 0.00925 0.01854 -0.00184 165 3S 0.00169 -0.02452 0.01277 -0.01833 -0.00011 166 3PX 0.01067 -0.01123 0.01246 0.00387 -0.00200 167 3PY 0.02535 -0.00766 0.00281 0.00921 -0.00036 168 3PZ 0.03137 -0.01284 0.00864 0.01389 -0.00202 169 4XX 0.00069 0.00147 -0.00013 0.00156 0.00013 170 4YY -0.00216 0.00173 -0.00044 0.00007 0.00000 171 4ZZ -0.00044 0.00103 0.00032 0.00067 -0.00012 172 4XY 0.00004 0.00020 -0.00066 -0.00002 0.00009 173 4XZ 0.00101 -0.00032 -0.00012 0.00034 0.00002 174 4YZ -0.00163 -0.00030 -0.00037 -0.00151 0.00002 175 23 O 1S -0.00543 0.00314 0.00232 0.00044 0.00000 176 2S 0.01365 -0.00674 -0.00621 0.00084 0.00009 177 2PX 0.02272 -0.04386 -0.01548 -0.02318 -0.00031 178 2PY 0.01674 -0.00767 -0.00397 0.01234 -0.00001 179 2PZ 0.01045 -0.03158 -0.00332 -0.02613 -0.00068 180 3S 0.01897 -0.01954 -0.00642 -0.00832 -0.00044 181 3PX 0.01853 -0.03921 -0.01308 -0.02231 -0.00021 182 3PY 0.01304 -0.00583 -0.00227 0.00876 -0.00012 183 3PZ 0.01212 -0.02958 -0.00470 -0.02175 -0.00053 184 4XX -0.00048 0.00241 0.00063 0.00160 0.00002 185 4YY 0.00033 0.00017 -0.00018 0.00088 0.00002 186 4ZZ -0.00012 -0.00105 -0.00029 -0.00081 0.00007 187 4XY 0.00099 -0.00170 -0.00061 -0.00083 -0.00003 188 4XZ -0.00059 0.00058 0.00016 0.00001 -0.00001 189 4YZ -0.00005 -0.00005 -0.00005 -0.00032 0.00003 11 12 13 14 15 11 4YY 0.00114 12 4ZZ -0.00019 0.00089 13 4XY 0.00000 0.00032 0.00095 14 4XZ 0.00048 -0.00026 -0.00017 0.00067 15 4YZ 0.00014 -0.00011 -0.00042 0.00028 0.00117 16 2 C 1S -0.00695 0.00269 0.00016 -0.00058 -0.00018 17 2S 0.01218 -0.00612 0.00021 0.00150 -0.00010 18 2PX -0.00108 -0.00091 -0.01297 0.00061 0.00005 19 2PY 0.00580 -0.00925 0.00146 0.00312 0.00022 20 2PZ 0.00050 -0.00155 -0.00018 -0.00043 -0.01358 21 3S 0.01205 -0.00574 -0.00225 0.00359 0.00428 22 3PX 0.00009 -0.00114 -0.00623 0.00029 -0.00435 23 3PY 0.00269 -0.00259 0.00083 0.00186 0.00192 24 3PZ -0.00090 -0.00105 -0.00341 -0.00022 -0.00545 25 4XX -0.00029 0.00036 0.00031 0.00000 0.00020 26 4YY -0.00016 -0.00028 -0.00013 -0.00023 -0.00009 27 4ZZ -0.00028 0.00033 -0.00028 -0.00005 0.00003 28 4XY 0.00013 0.00028 0.00043 -0.00005 -0.00050 29 4XZ -0.00023 -0.00005 0.00005 0.00004 -0.00011 30 4YZ 0.00009 -0.00003 -0.00050 0.00011 0.00081 31 3 C 1S -0.00096 -0.00025 -0.00180 0.00008 0.00116 32 2S 0.00214 0.00080 0.00376 -0.00016 -0.00224 33 2PX 0.00147 -0.00075 -0.00179 -0.00173 -0.01077 34 2PY 0.00422 0.00076 0.00591 0.00001 -0.00219 35 2PZ -0.00324 -0.00147 -0.00819 0.00049 -0.00079 36 3S 0.00135 0.00112 0.00563 -0.00036 -0.00433 37 3PX -0.00079 -0.00046 -0.00236 -0.00133 -0.00703 38 3PY 0.00088 -0.00001 0.00276 -0.00020 -0.00146 39 3PZ -0.00087 -0.00208 -0.00457 0.00042 -0.00175 40 4XX 0.00005 -0.00004 -0.00039 0.00001 -0.00032 41 4YY -0.00003 -0.00027 -0.00013 0.00009 0.00012 42 4ZZ -0.00001 0.00015 0.00015 0.00001 0.00047 43 4XY 0.00031 -0.00018 0.00009 0.00005 -0.00023 44 4XZ -0.00021 -0.00003 -0.00008 0.00004 0.00001 45 4YZ -0.00023 0.00018 -0.00029 -0.00004 0.00003 46 4 C 1S -0.00020 -0.00037 0.00004 -0.00009 -0.00021 47 2S 0.00036 0.00057 -0.00040 0.00017 0.00066 48 2PX -0.00065 0.00085 0.00037 -0.00006 0.00122 49 2PY 0.00190 -0.00047 -0.00034 0.00073 -0.00083 50 2PZ 0.00059 -0.00074 0.00159 0.00000 -0.00019 51 3S 0.00205 0.00193 0.00050 0.00079 0.00335 52 3PX 0.00004 0.00043 0.00021 0.00014 0.00073 53 3PY 0.00223 -0.00055 -0.00015 0.00102 -0.00066 54 3PZ 0.00057 -0.00069 0.00145 0.00003 -0.00060 55 4XX 0.00000 -0.00005 -0.00006 -0.00003 -0.00020 56 4YY -0.00008 0.00000 -0.00012 -0.00001 0.00000 57 4ZZ 0.00004 0.00005 0.00026 0.00002 0.00013 58 4XY 0.00002 0.00008 0.00008 -0.00002 0.00000 59 4XZ -0.00005 0.00005 0.00014 0.00004 0.00038 60 4YZ 0.00008 -0.00019 -0.00027 0.00018 0.00006 61 5 C 1S 0.00081 -0.00156 -0.00079 0.00073 0.00027 62 2S -0.00158 0.00302 0.00173 -0.00157 -0.00069 63 2PX -0.00138 0.00378 0.00102 -0.00129 -0.00015 64 2PY -0.00124 0.00210 0.00250 -0.00116 0.00024 65 2PZ 0.00397 -0.00733 -0.00401 0.00607 0.00074 66 3S -0.00435 0.00350 0.00172 -0.00278 -0.00357 67 3PX -0.00070 0.00170 0.00039 -0.00059 -0.00017 68 3PY 0.00008 0.00119 0.00209 -0.00026 -0.00024 69 3PZ 0.00203 -0.00434 -0.00270 0.00305 0.00127 70 4XX 0.00007 -0.00013 -0.00006 0.00013 0.00012 71 4YY 0.00035 -0.00004 0.00000 0.00017 0.00008 72 4ZZ -0.00033 0.00002 -0.00010 -0.00024 -0.00004 73 4XY 0.00002 0.00015 0.00001 -0.00004 0.00002 74 4XZ 0.00010 -0.00019 -0.00001 0.00024 -0.00032 75 4YZ -0.00011 -0.00019 -0.00008 0.00013 -0.00005 76 6 C 1S 0.00118 -0.00024 0.00373 0.00330 -0.00332 77 2S -0.00344 0.00008 -0.00671 -0.00637 0.00626 78 2PX -0.00220 0.00219 -0.00235 -0.00296 0.00857 79 2PY 0.01331 -0.00189 -0.00163 0.00724 0.00162 80 2PZ 0.00246 0.01017 0.00838 -0.00074 -0.00096 81 3S -0.00287 -0.00161 -0.00854 -0.00402 0.00762 82 3PX 0.00025 0.00269 0.00001 -0.00055 0.00548 83 3PY 0.00408 0.00056 -0.00027 0.00162 0.00013 84 3PZ 0.00198 0.00448 0.00454 -0.00042 0.00162 85 4XX -0.00020 0.00012 0.00005 -0.00004 -0.00034 86 4YY 0.00096 -0.00047 -0.00024 0.00056 0.00029 87 4ZZ -0.00037 0.00030 0.00056 -0.00018 -0.00043 88 4XY -0.00009 0.00028 0.00027 0.00003 -0.00026 89 4XZ 0.00031 -0.00010 -0.00010 0.00045 -0.00003 90 4YZ -0.00002 -0.00044 -0.00010 0.00005 0.00013 91 7 H 1S -0.00407 0.00550 0.00785 -0.00828 -0.01087 92 2S -0.00362 0.00647 0.00774 -0.00608 -0.01062 93 8 H 1S 0.00186 0.00080 -0.00512 0.00002 0.00716 94 2S -0.00151 0.00192 -0.00529 -0.00049 0.00783 95 9 H 1S -0.00127 -0.00082 -0.00167 0.00027 0.00090 96 2S -0.00118 -0.00192 -0.00249 0.00048 0.00055 97 10 H 1S 0.00013 -0.00008 0.00000 -0.00035 -0.00131 98 2S 0.00006 -0.00013 -0.00028 -0.00060 -0.00304 99 11 H 1S 0.00033 -0.00156 -0.00015 0.00073 0.00083 100 2S 0.00077 -0.00124 -0.00046 0.00081 0.00265 101 12 H 1S 0.00806 -0.00273 -0.00411 0.00313 0.00349 102 2S 0.00889 -0.00329 -0.00215 0.00474 0.00262 103 13 H 1S -0.00014 -0.00072 -0.00062 0.00133 -0.00077 104 2S -0.00013 -0.00169 -0.00141 0.00151 -0.00146 105 14 H 1S -0.00031 0.00069 0.00159 -0.00023 0.00150 106 2S -0.00064 0.00071 0.00181 -0.00036 0.00143 107 15 C 1S -0.00001 -0.00005 0.00008 -0.00009 0.00010 108 2S -0.00017 0.00000 -0.00016 0.00011 -0.00026 109 2PX -0.00030 -0.00020 -0.00013 0.00023 -0.00037 110 2PY 0.00004 0.00020 0.00006 0.00024 -0.00019 111 2PZ 0.00010 0.00011 0.00029 -0.00014 0.00024 112 3S -0.00031 -0.00026 -0.00027 0.00021 -0.00048 113 3PX 0.00001 -0.00012 -0.00013 0.00011 -0.00014 114 3PY -0.00003 0.00003 0.00009 0.00008 0.00011 115 3PZ 0.00029 0.00067 0.00046 -0.00021 0.00057 116 4XX 0.00009 0.00013 0.00005 -0.00004 0.00009 117 4YY -0.00002 0.00000 -0.00001 0.00002 0.00002 118 4ZZ -0.00006 -0.00011 -0.00004 0.00001 -0.00009 119 4XY 0.00004 0.00008 0.00006 0.00002 0.00010 120 4XZ -0.00002 -0.00001 -0.00002 0.00000 -0.00001 121 4YZ 0.00003 0.00004 0.00007 -0.00001 0.00012 122 16 C 1S -0.00007 -0.00009 0.00015 -0.00014 0.00012 123 2S 0.00011 0.00012 -0.00040 0.00022 -0.00031 124 2PX -0.00086 -0.00078 -0.00032 0.00094 -0.00042 125 2PY 0.00089 0.00044 0.00083 0.00027 0.00109 126 2PZ -0.00024 -0.00055 0.00062 0.00048 0.00030 127 3S 0.00068 -0.00088 -0.00199 0.00100 -0.00083 128 3PX -0.00029 -0.00002 0.00069 0.00051 0.00006 129 3PY 0.00078 -0.00009 0.00034 0.00015 0.00064 130 3PZ -0.00031 -0.00039 -0.00057 0.00056 0.00063 131 4XX 0.00003 -0.00002 0.00023 -0.00002 0.00018 132 4YY 0.00000 -0.00001 -0.00009 0.00003 -0.00004 133 4ZZ -0.00001 0.00004 -0.00008 -0.00004 -0.00003 134 4XY -0.00012 -0.00015 -0.00017 0.00000 -0.00028 135 4XZ 0.00001 0.00003 0.00010 0.00003 0.00011 136 4YZ -0.00010 -0.00014 -0.00022 -0.00001 -0.00028 137 17 C 1S 0.00004 -0.00029 0.00017 -0.00039 0.00066 138 2S -0.00016 0.00024 -0.00053 0.00088 -0.00094 139 2PX -0.00263 -0.00290 -0.00297 0.00048 -0.00435 140 2PY -0.00085 -0.00015 -0.00044 0.00018 -0.00114 141 2PZ -0.00130 -0.00243 -0.00268 -0.00039 -0.00363 142 3S -0.00170 0.00040 -0.00083 0.00036 -0.00243 143 3PX -0.00184 -0.00224 -0.00266 0.00043 -0.00313 144 3PY 0.00011 -0.00090 -0.00134 0.00057 -0.00123 145 3PZ -0.00116 -0.00129 -0.00150 -0.00028 -0.00358 146 4XX -0.00010 -0.00022 -0.00008 -0.00007 -0.00014 147 4YY 0.00008 0.00001 0.00001 0.00004 0.00004 148 4ZZ 0.00007 0.00017 0.00011 -0.00001 0.00009 149 4XY 0.00004 -0.00002 -0.00003 0.00000 -0.00001 150 4XZ -0.00010 -0.00012 -0.00007 -0.00003 -0.00009 151 4YZ 0.00007 0.00000 -0.00001 -0.00008 0.00002 152 18 H 1S -0.00023 -0.00041 -0.00014 0.00006 -0.00038 153 2S -0.00051 -0.00114 -0.00053 0.00017 -0.00089 154 19 H 1S -0.00043 -0.00017 -0.00129 -0.00016 -0.00121 155 2S -0.00052 -0.00024 -0.00125 -0.00024 -0.00070 156 20 H 1S 0.00002 0.00110 0.00076 0.00068 0.00057 157 2S 0.00026 0.00140 0.00166 0.00025 0.00089 158 21 H 1S 0.00037 0.00047 0.00021 -0.00017 0.00044 159 2S 0.00070 0.00082 0.00047 -0.00027 0.00086 160 22 O 1S -0.00006 -0.00013 0.00001 0.00007 -0.00018 161 2S 0.00022 0.00056 0.00003 -0.00008 0.00030 162 2PX 0.00167 0.00254 0.00169 -0.00035 0.00253 163 2PY -0.00014 -0.00020 0.00006 -0.00047 0.00051 164 2PZ 0.00100 0.00209 0.00139 -0.00009 0.00235 165 3S 0.00019 0.00009 -0.00011 -0.00016 0.00123 166 3PX 0.00128 0.00180 0.00141 -0.00017 0.00239 167 3PY -0.00012 -0.00005 0.00014 -0.00034 0.00031 168 3PZ 0.00108 0.00199 0.00138 -0.00012 0.00209 169 4XX -0.00005 -0.00002 -0.00009 0.00000 -0.00014 170 4YY 0.00002 0.00003 0.00000 0.00002 -0.00005 171 4ZZ 0.00001 0.00007 0.00009 -0.00001 0.00008 172 4XY -0.00007 -0.00009 -0.00006 0.00000 -0.00010 173 4XZ -0.00001 -0.00003 -0.00001 -0.00002 -0.00002 174 4YZ 0.00000 -0.00006 -0.00002 0.00001 -0.00002 175 23 O 1S -0.00004 0.00000 -0.00015 0.00004 -0.00002 176 2S 0.00004 -0.00011 0.00016 -0.00009 -0.00007 177 2PX 0.00041 0.00058 -0.00003 -0.00051 -0.00033 178 2PY -0.00024 -0.00028 -0.00001 -0.00026 -0.00006 179 2PZ 0.00034 0.00066 -0.00025 -0.00007 0.00020 180 3S 0.00028 0.00054 0.00178 -0.00022 0.00067 181 3PX 0.00031 0.00046 0.00025 -0.00043 -0.00026 182 3PY -0.00018 -0.00004 0.00020 -0.00024 0.00007 183 3PZ 0.00030 0.00051 -0.00043 -0.00015 0.00008 184 4XX -0.00002 -0.00001 -0.00007 0.00002 -0.00004 185 4YY -0.00002 -0.00004 -0.00007 0.00000 -0.00003 186 4ZZ -0.00002 -0.00003 -0.00009 -0.00001 -0.00008 187 4XY 0.00003 0.00003 0.00002 -0.00002 -0.00001 188 4XZ 0.00000 0.00000 -0.00001 0.00001 0.00001 189 4YZ -0.00002 0.00000 -0.00006 0.00000 -0.00005 16 17 18 19 20 16 2 C 1S 2.05271 17 2S -0.06213 0.32496 18 2PX -0.00133 -0.00226 0.36897 19 2PY 0.00053 0.00162 -0.00011 0.41335 20 2PZ -0.00083 0.00777 -0.03332 -0.00266 0.39022 21 3S -0.16067 0.24765 0.01951 0.01122 -0.02947 22 3PX -0.00664 0.02275 0.18140 -0.01273 0.07523 23 3PY 0.00378 -0.01621 -0.01321 0.13842 -0.02578 24 3PZ 0.00494 -0.01459 0.05969 -0.00573 0.16793 25 4XX -0.01431 -0.00947 -0.00801 -0.00593 -0.00344 26 4YY -0.01700 -0.00308 0.00427 0.01307 -0.00040 27 4ZZ -0.01612 -0.00535 0.00689 -0.01026 -0.00257 28 4XY 0.00088 -0.00123 -0.00498 -0.00024 0.01075 29 4XZ 0.00455 -0.00944 -0.00068 0.00920 0.00219 30 4YZ -0.00203 0.00342 0.00949 -0.00196 -0.01031 31 3 C 1S 0.01788 -0.03602 0.05991 0.03621 -0.04301 32 2S -0.03384 0.06176 -0.12166 -0.07535 0.08348 33 2PX -0.05515 0.11749 0.00707 -0.13525 0.24259 34 2PY -0.03905 0.07546 -0.13786 -0.05073 0.06403 35 2PZ 0.04364 -0.08980 0.21175 0.08011 -0.01512 36 3S -0.00917 0.03347 -0.13111 -0.05000 0.09080 37 3PX -0.01230 0.03508 0.04974 -0.06232 0.12908 38 3PY -0.00984 0.02573 -0.05357 -0.00540 0.02377 39 3PZ 0.00436 -0.01208 0.09571 0.03267 0.02878 40 4XX -0.00196 0.00317 0.01089 -0.00515 0.00700 41 4YY 0.00153 -0.00338 0.00154 0.01234 -0.00144 42 4ZZ 0.00017 -0.00118 -0.00180 -0.00099 -0.01328 43 4XY -0.00334 0.00665 -0.00346 0.00259 0.00806 44 4XZ 0.00415 -0.00766 0.00321 0.00661 -0.00046 45 4YZ 0.00299 -0.00599 0.00806 -0.00166 -0.00179 46 4 C 1S -0.00300 0.00562 -0.00514 -0.00155 0.01145 47 2S 0.00649 -0.01505 0.01444 0.00592 -0.02805 48 2PX 0.00839 -0.02187 -0.00068 0.01087 -0.03290 49 2PY -0.00131 0.00319 -0.00228 0.00421 0.00689 50 2PZ -0.01208 0.03132 -0.04903 -0.00703 0.02307 51 3S 0.00759 -0.01647 -0.00175 -0.01090 -0.07811 52 3PX 0.00455 -0.00903 -0.00129 0.00744 -0.01497 53 3PY -0.00411 0.00872 -0.00735 0.00450 0.02096 54 3PZ -0.00802 0.01863 -0.04076 0.00837 0.02260 55 4XX -0.00114 0.00235 0.00086 -0.00219 0.00526 56 4YY 0.00068 -0.00152 0.00310 0.00171 -0.00200 57 4ZZ -0.00030 0.00016 -0.00630 -0.00095 -0.00133 58 4XY -0.00024 0.00073 -0.00134 0.00013 -0.00012 59 4XZ 0.00130 -0.00292 -0.00156 0.00304 -0.00928 60 4YZ 0.00054 -0.00141 0.00384 0.00173 -0.00056 61 5 C 1S -0.00267 0.00503 -0.00128 0.00375 0.00577 62 2S 0.00479 -0.00883 -0.00214 -0.00681 -0.01508 63 2PX 0.00207 -0.00444 -0.00674 -0.00763 -0.00881 64 2PY -0.00390 0.00856 -0.02849 -0.01161 0.00380 65 2PZ -0.00787 0.01255 0.01133 0.02367 0.02037 66 3S 0.01324 -0.02297 0.02357 -0.03018 -0.00944 67 3PX 0.00106 -0.00172 -0.00051 -0.00183 -0.00166 68 3PY -0.00348 0.00737 -0.02761 -0.00891 -0.00192 69 3PZ -0.00485 0.00736 0.00615 0.02432 0.00453 70 4XX -0.00029 0.00034 0.00037 -0.00022 0.00077 71 4YY -0.00010 0.00024 -0.00060 0.00192 -0.00177 72 4ZZ 0.00024 -0.00041 -0.00010 -0.00197 0.00059 73 4XY -0.00007 0.00035 -0.00023 -0.00100 0.00059 74 4XZ -0.00019 0.00044 0.00102 0.00088 0.00064 75 4YZ 0.00020 -0.00082 0.00128 0.00015 -0.00008 76 6 C 1S -0.00340 0.00831 -0.00083 0.01224 0.00587 77 2S 0.00823 -0.01879 0.00174 -0.03290 -0.01501 78 2PX 0.00832 -0.02655 -0.00638 -0.03169 -0.02711 79 2PY -0.01167 0.02675 -0.00246 0.03374 0.00710 80 2PZ -0.00446 0.01369 -0.02038 0.01505 -0.00551 81 3S 0.00597 -0.02039 0.03770 -0.02416 -0.04546 82 3PX 0.00436 -0.01395 -0.00490 -0.01849 -0.03621 83 3PY -0.00283 0.01068 -0.00153 -0.00564 0.01117 84 3PZ -0.00411 0.00852 -0.03958 0.02545 -0.01414 85 4XX 0.00055 -0.00122 0.00654 -0.00245 0.00489 86 4YY -0.00184 0.00439 -0.00163 0.00978 0.00043 87 4ZZ 0.00071 -0.00116 -0.00388 -0.00241 -0.00350 88 4XY 0.00099 -0.00185 -0.00106 -0.00569 -0.00147 89 4XZ -0.00063 0.00122 0.00247 0.00138 0.00179 90 4YZ -0.00075 0.00145 -0.00231 0.00452 -0.00111 91 7 H 1S 0.01228 -0.02562 -0.01875 -0.04294 0.01319 92 2S 0.01464 -0.02568 -0.03388 -0.08633 0.03937 93 8 H 1S -0.06016 0.11224 0.13265 -0.13076 -0.18748 94 2S -0.01303 0.02496 0.12151 -0.11785 -0.18086 95 9 H 1S 0.01211 -0.02454 0.02455 0.03575 -0.01201 96 2S 0.01361 -0.02472 0.04780 0.07142 -0.01045 97 10 H 1S -0.00759 0.01927 -0.00234 -0.01532 0.03244 98 2S -0.01116 0.02904 0.00205 -0.02105 0.07096 99 11 H 1S -0.00059 0.00017 -0.00193 0.00229 -0.00061 100 2S -0.00092 -0.00024 -0.00534 0.00699 -0.00762 101 12 H 1S -0.00849 0.01865 -0.00146 0.03521 0.00130 102 2S -0.01195 0.02528 -0.01055 0.06878 0.00305 103 13 H 1S -0.00137 0.00184 0.00285 -0.00018 0.00657 104 2S -0.00228 0.00336 0.01502 -0.00379 0.01956 105 14 H 1S 0.00158 -0.00347 -0.02933 0.00309 -0.02865 106 2S 0.00141 -0.00404 -0.02930 -0.00014 -0.02535 107 15 C 1S -0.00034 0.00050 -0.00186 -0.00057 -0.00048 108 2S 0.00067 -0.00179 0.00525 0.00021 0.00168 109 2PX 0.00090 -0.00226 0.00497 0.00063 0.00143 110 2PY -0.00109 0.00156 -0.00104 -0.00156 0.00200 111 2PZ 0.00032 0.00003 -0.00697 0.00135 -0.00801 112 3S 0.00165 -0.00332 0.01102 0.00436 0.00234 113 3PX -0.00030 0.00055 0.00236 0.00139 0.00356 114 3PY -0.00028 0.00057 -0.00141 -0.00024 -0.00167 115 3PZ -0.00027 0.00123 -0.01151 0.00190 -0.00960 116 4XX -0.00023 0.00067 -0.00161 -0.00012 -0.00048 117 4YY 0.00009 -0.00031 0.00023 0.00001 0.00004 118 4ZZ 0.00007 -0.00029 0.00126 -0.00012 0.00031 119 4XY 0.00002 -0.00031 -0.00120 0.00028 -0.00135 120 4XZ 0.00002 -0.00015 0.00061 -0.00025 0.00047 121 4YZ 0.00011 -0.00011 -0.00132 0.00029 -0.00148 122 16 C 1S -0.00178 0.00269 -0.00919 0.00007 -0.00379 123 2S 0.00265 -0.00452 0.02100 0.00007 0.01060 124 2PX 0.00503 -0.01912 0.03137 -0.00231 0.00562 125 2PY -0.00170 0.00504 -0.01827 0.00155 -0.01159 126 2PZ 0.00224 -0.00609 0.00582 -0.00213 -0.00874 127 3S 0.00362 -0.01131 0.05396 0.00009 0.02765 128 3PX 0.00660 -0.01009 0.00585 -0.00333 -0.00106 129 3PY -0.00256 0.00680 -0.01974 -0.00114 -0.01112 130 3PZ 0.00154 -0.01149 0.02472 -0.00222 -0.00967 131 4XX -0.00079 0.00083 -0.00598 0.00039 -0.00412 132 4YY -0.00013 -0.00023 0.00212 0.00021 0.00109 133 4ZZ -0.00029 0.00012 0.00135 0.00021 0.00082 134 4XY -0.00016 0.00026 0.00434 -0.00101 0.00386 135 4XZ 0.00048 -0.00093 -0.00196 0.00047 -0.00187 136 4YZ 0.00029 -0.00044 0.00517 -0.00091 0.00430 137 17 C 1S -0.00069 0.00137 -0.01089 0.00262 -0.00738 138 2S 0.00058 -0.00173 0.02273 -0.00401 0.01701 139 2PX 0.00297 -0.00820 0.07781 -0.01577 0.05629 140 2PY -0.00009 -0.00136 0.01163 -0.00430 0.01176 141 2PZ 0.00128 -0.00391 0.05907 -0.01022 0.04328 142 3S 0.00390 -0.00677 0.05255 -0.01290 0.03693 143 3PX 0.00129 -0.00638 0.05985 -0.01205 0.04004 144 3PY -0.00151 0.00182 0.02887 -0.00198 0.02421 145 3PZ 0.00188 -0.00093 0.04678 -0.01428 0.04463 146 4XX -0.00022 0.00029 -0.00077 0.00019 0.00000 147 4YY -0.00006 0.00020 0.00040 0.00036 0.00041 148 4ZZ -0.00029 0.00039 -0.00168 0.00028 -0.00081 149 4XY -0.00007 0.00073 -0.00112 0.00003 0.00003 150 4XZ 0.00015 -0.00017 0.00113 -0.00034 0.00070 151 4YZ -0.00021 0.00063 -0.00166 0.00047 -0.00061 152 18 H 1S 0.00063 -0.00138 0.00488 -0.00007 0.00086 153 2S 0.00066 -0.00226 0.01325 -0.00430 0.00874 154 19 H 1S 0.00083 -0.00296 0.02683 -0.00212 0.02058 155 2S 0.00005 -0.00132 0.01967 -0.00411 0.00494 156 20 H 1S 0.00040 -0.00107 -0.00591 -0.00079 -0.00432 157 2S 0.00059 -0.00059 -0.02536 -0.00061 -0.01693 158 21 H 1S -0.00094 0.00273 -0.00763 0.00022 -0.00253 159 2S -0.00200 0.00547 -0.01683 0.00112 -0.00555 160 22 O 1S 0.00003 0.00038 0.00239 -0.00041 0.00198 161 2S 0.00010 -0.00105 -0.00425 0.00032 -0.00298 162 2PX -0.00146 0.00392 -0.04302 0.00710 -0.03015 163 2PY 0.00082 0.00067 -0.00103 -0.00082 -0.00200 164 2PZ -0.00083 0.00297 -0.03259 0.00411 -0.02205 165 3S -0.00062 -0.00216 -0.01710 0.00387 -0.01806 166 3PX -0.00134 0.00261 -0.03878 0.00824 -0.03032 167 3PY 0.00076 0.00013 -0.00031 -0.00031 -0.00157 168 3PZ -0.00103 0.00346 -0.03012 0.00421 -0.01983 169 4XX 0.00009 -0.00010 0.00275 -0.00069 0.00236 170 4YY 0.00004 0.00005 0.00045 -0.00012 0.00073 171 4ZZ 0.00015 -0.00011 -0.00128 -0.00009 -0.00096 172 4XY 0.00003 -0.00009 0.00141 -0.00026 0.00123 173 4XZ -0.00002 0.00004 0.00042 -0.00002 0.00035 174 4YZ -0.00002 0.00009 0.00003 0.00013 0.00002 175 23 O 1S 0.00025 -0.00140 0.00322 0.00047 0.00086 176 2S -0.00129 0.00318 -0.00263 -0.00153 0.00027 177 2PX -0.00317 0.01246 -0.00852 -0.00184 0.00689 178 2PY 0.00082 0.00223 -0.00005 0.00070 -0.00066 179 2PZ -0.00062 0.00105 -0.00173 0.00194 0.00447 180 3S 0.00114 0.00790 -0.03873 -0.00181 -0.01429 181 3PX -0.00189 0.01050 -0.01370 -0.00021 0.00372 182 3PY 0.00093 0.00179 -0.00430 0.00012 -0.00182 183 3PZ -0.00173 0.00208 0.00205 0.00177 0.00526 184 4XX -0.00008 -0.00055 0.00230 -0.00019 0.00099 185 4YY -0.00033 -0.00005 0.00142 -0.00003 0.00070 186 4ZZ -0.00035 0.00000 0.00131 -0.00040 0.00115 187 4XY -0.00003 0.00064 -0.00059 -0.00017 0.00032 188 4XZ -0.00017 -0.00006 0.00018 0.00001 -0.00009 189 4YZ -0.00007 -0.00021 0.00132 -0.00016 0.00089 21 22 23 24 25 21 3S 0.25009 22 3PX 0.00529 0.11999 23 3PY 0.00772 -0.02130 0.06236 24 3PZ -0.01273 0.06577 -0.01395 0.09329 25 4XX -0.00562 -0.00526 0.00006 -0.00248 0.00092 26 4YY -0.00311 0.00157 0.00297 0.00079 -0.00023 27 4ZZ -0.00246 0.00264 -0.00301 0.00047 0.00022 28 4XY -0.00261 0.00016 0.00037 0.00330 0.00019 29 4XZ -0.00814 -0.00040 0.00261 0.00111 0.00007 30 4YZ 0.00706 0.00159 0.00072 -0.00212 0.00003 31 3 C 1S 0.01167 0.00739 0.00605 0.00475 -0.00160 32 2S 0.01681 -0.03363 -0.00949 0.00613 0.00278 33 2PX 0.04581 0.07527 -0.09236 0.09988 -0.00836 34 2PY 0.10481 -0.06145 0.00968 0.00561 0.00424 35 2PZ -0.05016 0.08999 0.03205 0.03878 -0.00521 36 3S -0.02631 -0.02878 -0.00108 0.00198 0.00396 37 3PX -0.00784 0.06573 -0.05178 0.06093 -0.00568 38 3PY 0.01880 -0.01760 0.00217 -0.00261 0.00159 39 3PZ -0.00661 0.05088 -0.00023 0.03337 -0.00484 40 4XX 0.00431 0.00751 -0.00330 0.00592 -0.00025 41 4YY -0.00597 0.00072 0.00312 -0.00082 -0.00024 42 4ZZ 0.00227 -0.00471 0.00133 -0.00632 0.00025 43 4XY 0.00401 0.00042 -0.00006 0.00233 -0.00028 44 4XZ -0.00598 0.00115 0.00283 0.00064 0.00009 45 4YZ -0.00437 0.00323 0.00034 0.00096 0.00001 46 4 C 1S 0.00523 -0.00086 -0.00403 0.00805 -0.00046 47 2S -0.00898 -0.00033 0.00849 -0.01522 0.00036 48 2PX -0.02770 -0.00835 0.02936 -0.02849 0.00027 49 2PY -0.00917 0.00778 0.00647 0.00236 -0.00009 50 2PZ 0.00219 -0.01027 -0.03196 -0.00730 -0.00133 51 3S 0.01674 -0.02532 0.02143 -0.03851 0.00276 52 3PX -0.00631 -0.00640 0.01540 -0.01190 0.00006 53 3PY 0.01091 0.00283 0.00708 0.00932 0.00007 54 3PZ -0.00610 -0.00784 -0.01123 -0.00484 -0.00042 55 4XX 0.00156 0.00186 -0.00297 0.00260 -0.00019 56 4YY -0.00276 0.00146 -0.00003 -0.00033 -0.00015 57 4ZZ 0.00089 -0.00367 0.00189 -0.00193 0.00036 58 4XY 0.00124 -0.00085 -0.00104 0.00037 0.00004 59 4XZ -0.00203 -0.00284 0.00235 -0.00493 0.00027 60 4YZ 0.00073 0.00128 0.00183 0.00127 -0.00005 61 5 C 1S 0.01091 -0.00010 0.00349 0.00343 0.00000 62 2S -0.02105 -0.00217 -0.00597 -0.00990 0.00002 63 2PX -0.01312 -0.00580 -0.01726 -0.00098 -0.00032 64 2PY 0.01906 -0.01994 -0.00708 -0.00331 0.00082 65 2PZ 0.07872 -0.00221 0.02449 0.03397 -0.00066 66 3S -0.06109 0.01894 -0.02946 -0.00435 -0.00151 67 3PX -0.00821 -0.00075 -0.00912 0.00002 -0.00052 68 3PY 0.01690 -0.01748 -0.00055 -0.00540 0.00108 69 3PZ 0.04098 -0.00211 0.01699 0.01557 -0.00033 70 4XX 0.00343 -0.00067 0.00109 0.00115 0.00006 71 4YY 0.00111 -0.00062 0.00183 -0.00139 0.00004 72 4ZZ -0.00283 0.00075 -0.00254 0.00033 -0.00006 73 4XY 0.00078 -0.00013 -0.00123 0.00081 0.00002 74 4XZ 0.00001 0.00164 -0.00060 0.00082 -0.00009 75 4YZ 0.00127 -0.00001 0.00086 0.00131 0.00003 76 6 C 1S -0.00303 0.00672 0.00510 -0.00511 0.00018 77 2S -0.01977 -0.00622 -0.01885 -0.00130 -0.00040 78 2PX 0.05035 -0.04990 0.02124 0.00967 0.00314 79 2PY 0.09132 -0.00084 0.05079 -0.00107 0.00096 80 2PZ -0.01050 -0.00962 0.00766 -0.02947 0.00187 81 3S -0.00893 0.00719 -0.01227 -0.00387 0.00001 82 3PX 0.03723 -0.03354 0.01960 -0.00655 0.00305 83 3PY 0.02368 0.00135 0.00591 0.00062 -0.00037 84 3PZ 0.01302 -0.03089 0.01855 -0.02248 0.00162 85 4XX -0.00039 0.00408 -0.00039 0.00387 0.00008 86 4YY 0.00672 -0.00057 0.00498 -0.00061 -0.00015 87 4ZZ -0.00419 -0.00209 -0.00247 -0.00267 0.00001 88 4XY -0.00341 0.00024 -0.00201 -0.00151 0.00021 89 4XZ 0.00159 0.00231 0.00038 0.00107 -0.00001 90 4YZ 0.00237 -0.00190 0.00139 -0.00022 -0.00008 91 7 H 1S -0.06039 0.00249 -0.01989 -0.00279 0.00081 92 2S -0.06761 0.00573 -0.03824 0.00226 0.00160 93 8 H 1S 0.11509 0.03242 -0.03911 -0.05971 -0.00192 94 2S 0.05423 0.01788 -0.02558 -0.05144 0.00069 95 9 H 1S -0.06200 0.01712 0.00229 -0.00667 -0.00145 96 2S -0.05922 0.02896 0.00593 -0.00120 -0.00308 97 10 H 1S 0.01770 0.00668 -0.02873 0.01867 -0.00089 98 2S 0.02302 0.01668 -0.03781 0.03879 -0.00252 99 11 H 1S 0.01949 -0.00705 0.01408 0.00038 0.00055 100 2S 0.02803 -0.01617 0.02155 -0.00397 0.00080 101 12 H 1S 0.05609 -0.00088 0.03258 -0.00069 -0.00029 102 2S 0.06422 -0.00665 0.04800 -0.00210 -0.00007 103 13 H 1S 0.02056 -0.00050 -0.00488 0.01533 -0.00054 104 2S 0.01847 0.01192 -0.00768 0.02316 -0.00055 105 14 H 1S -0.01230 -0.01935 0.00436 -0.03019 0.00081 106 2S -0.01121 -0.01789 0.00456 -0.02564 0.00164 107 15 C 1S 0.00279 -0.00243 -0.00033 -0.00011 -0.00014 108 2S -0.00557 0.00496 0.00172 0.00179 0.00027 109 2PX -0.01185 0.00676 0.00378 0.00028 0.00038 110 2PY 0.00972 -0.00404 -0.00215 0.00347 -0.00025 111 2PZ -0.00517 -0.00459 0.00088 -0.00843 -0.00017 112 3S -0.00761 0.00954 0.00351 0.00353 0.00052 113 3PX -0.00088 0.00233 0.00134 0.00239 0.00000 114 3PY -0.00171 -0.00068 -0.00043 -0.00243 0.00004 115 3PZ 0.00308 -0.01174 0.00035 -0.00791 -0.00057 116 4XX 0.00206 -0.00194 -0.00033 -0.00015 -0.00011 117 4YY 0.00078 -0.00019 -0.00022 0.00015 0.00000 118 4ZZ -0.00281 0.00202 0.00042 -0.00013 0.00010 119 4XY 0.00118 -0.00160 0.00109 -0.00084 0.00006 120 4XZ 0.00047 0.00030 -0.00028 0.00039 0.00001 121 4YZ -0.00189 -0.00040 0.00074 -0.00206 0.00009 122 16 C 1S 0.00660 -0.00950 -0.00149 -0.00354 -0.00071 123 2S -0.01526 0.02241 0.00030 0.00661 0.00088 124 2PX 0.01133 0.02166 0.01372 0.02091 0.00527 125 2PY 0.00913 -0.01859 -0.00229 -0.01558 -0.00107 126 2PZ -0.00464 0.01003 0.00721 0.00056 0.00439 127 3S -0.00267 0.04285 0.01053 0.02490 0.00169 128 3PX 0.00189 0.00789 0.00921 0.00564 0.00394 129 3PY 0.00725 -0.01495 -0.00065 -0.01187 -0.00085 130 3PZ 0.00411 0.01273 0.00996 0.00643 0.00308 131 4XX -0.00147 -0.00315 0.00123 -0.00385 0.00026 132 4YY 0.00113 0.00074 -0.00027 0.00119 -0.00010 133 4ZZ 0.00123 0.00017 -0.00052 0.00131 -0.00016 134 4XY -0.00143 0.00423 -0.00158 0.00243 -0.00005 135 4XZ 0.00108 -0.00206 0.00124 -0.00098 0.00017 136 4YZ -0.00187 0.00491 -0.00049 0.00297 -0.00001 137 17 C 1S 0.00207 -0.00807 0.00240 -0.00513 -0.00017 138 2S 0.00404 0.01433 -0.00315 0.01321 0.00011 139 2PX -0.03491 0.07599 -0.02114 0.03845 0.00104 140 2PY -0.00094 0.01105 0.00159 0.01328 0.00105 141 2PZ -0.02183 0.05768 -0.01045 0.03310 0.00011 142 3S -0.01672 0.04058 -0.01633 0.02603 0.00024 143 3PX -0.01873 0.05287 -0.01493 0.03147 -0.00003 144 3PY 0.00030 0.02555 0.00055 0.01794 0.00019 145 3PZ -0.02370 0.04984 -0.01446 0.02776 -0.00002 146 4XX -0.00099 0.00035 -0.00038 0.00045 -0.00005 147 4YY -0.00034 0.00066 0.00015 -0.00027 0.00002 148 4ZZ 0.00145 -0.00194 0.00056 -0.00077 -0.00002 149 4XY -0.00062 -0.00072 -0.00100 -0.00075 -0.00027 150 4XZ -0.00230 0.00173 -0.00120 -0.00001 -0.00005 151 4YZ 0.00015 -0.00124 -0.00023 -0.00098 -0.00026 152 18 H 1S -0.01206 0.00794 0.00186 -0.00143 0.00039 153 2S -0.01737 0.01861 0.00056 0.00370 0.00096 154 19 H 1S -0.00649 0.02163 -0.00339 0.01689 -0.00102 155 2S -0.00200 0.01156 -0.00512 0.00920 -0.00139 156 20 H 1S 0.00813 -0.00940 0.00345 -0.00179 0.00094 157 2S 0.00618 -0.02183 0.00528 -0.01227 0.00117 158 21 H 1S 0.01090 -0.00930 -0.00200 -0.00085 -0.00050 159 2S 0.01797 -0.01861 -0.00258 -0.00354 -0.00101 160 22 O 1S -0.00543 0.00314 -0.00232 0.00044 0.00000 161 2S 0.01365 -0.00674 0.00621 0.00084 0.00009 162 2PX 0.02272 -0.04386 0.01548 -0.02318 -0.00031 163 2PY -0.01674 0.00767 -0.00397 -0.01234 0.00001 164 2PZ 0.01045 -0.03158 0.00332 -0.02613 -0.00068 165 3S 0.01897 -0.01954 0.00642 -0.00832 -0.00044 166 3PX 0.01853 -0.03921 0.01308 -0.02231 -0.00021 167 3PY -0.01304 0.00583 -0.00226 -0.00876 0.00012 168 3PZ 0.01212 -0.02958 0.00470 -0.02175 -0.00053 169 4XX -0.00048 0.00241 -0.00063 0.00160 0.00002 170 4YY 0.00033 0.00017 0.00018 0.00088 0.00002 171 4ZZ -0.00012 -0.00105 0.00029 -0.00081 0.00007 172 4XY -0.00098 0.00170 -0.00061 0.00083 0.00003 173 4XZ -0.00059 0.00058 -0.00016 0.00001 -0.00001 174 4YZ 0.00005 0.00005 -0.00005 0.00032 -0.00003 175 23 O 1S 0.00079 0.00142 0.00426 0.00192 0.00007 176 2S -0.00745 0.00210 -0.00989 -0.00330 -0.00017 177 2PX 0.01266 -0.00817 -0.01627 0.00863 -0.00236 178 2PY -0.03844 0.01578 0.00470 -0.01122 0.00047 179 2PZ 0.04571 -0.02054 -0.00925 0.01854 -0.00184 180 3S 0.00169 -0.02452 -0.01277 -0.01833 -0.00011 181 3PX 0.01067 -0.01123 -0.01247 0.00387 -0.00200 182 3PY -0.02535 0.00766 0.00281 -0.00921 0.00036 183 3PZ 0.03137 -0.01284 -0.00865 0.01389 -0.00202 184 4XX 0.00069 0.00147 0.00013 0.00156 0.00013 185 4YY -0.00216 0.00173 0.00044 0.00007 0.00000 186 4ZZ -0.00044 0.00103 -0.00032 0.00067 -0.00012 187 4XY -0.00004 -0.00020 -0.00066 0.00002 -0.00009 188 4XZ 0.00101 -0.00032 0.00012 0.00034 0.00002 189 4YZ 0.00163 0.00030 -0.00037 0.00151 -0.00002 26 27 28 29 30 26 4YY 0.00114 27 4ZZ -0.00019 0.00089 28 4XY 0.00000 -0.00032 0.00095 29 4XZ 0.00048 -0.00026 0.00017 0.00067 30 4YZ -0.00014 0.00011 -0.00042 -0.00028 0.00117 31 3 C 1S 0.00118 -0.00024 -0.00373 0.00330 0.00332 32 2S -0.00344 0.00008 0.00671 -0.00637 -0.00626 33 2PX -0.00219 0.00219 0.00236 -0.00296 -0.00857 34 2PY -0.01331 0.00189 -0.00163 -0.00724 0.00162 35 2PZ 0.00246 0.01017 -0.00838 -0.00074 0.00096 36 3S -0.00287 -0.00161 0.00854 -0.00402 -0.00762 37 3PX 0.00025 0.00269 -0.00001 -0.00054 -0.00548 38 3PY -0.00408 -0.00056 -0.00027 -0.00162 0.00013 39 3PZ 0.00198 0.00448 -0.00454 -0.00042 -0.00162 40 4XX -0.00020 0.00012 -0.00005 -0.00004 0.00034 41 4YY 0.00096 -0.00047 0.00024 0.00056 -0.00029 42 4ZZ -0.00037 0.00030 -0.00056 -0.00018 0.00043 43 4XY 0.00009 -0.00028 0.00027 -0.00003 -0.00026 44 4XZ 0.00031 -0.00010 0.00010 0.00045 0.00003 45 4YZ 0.00002 0.00044 -0.00010 -0.00005 0.00013 46 4 C 1S 0.00081 -0.00156 0.00079 0.00073 -0.00027 47 2S -0.00158 0.00302 -0.00173 -0.00157 0.00069 48 2PX -0.00138 0.00378 -0.00102 -0.00129 0.00015 49 2PY 0.00124 -0.00210 0.00250 0.00116 0.00024 50 2PZ 0.00397 -0.00733 0.00401 0.00608 -0.00074 51 3S -0.00435 0.00350 -0.00172 -0.00278 0.00357 52 3PX -0.00070 0.00170 -0.00039 -0.00059 0.00017 53 3PY -0.00008 -0.00119 0.00209 0.00026 -0.00024 54 3PZ 0.00203 -0.00434 0.00270 0.00305 -0.00127 55 4XX 0.00007 -0.00013 0.00006 0.00013 -0.00012 56 4YY 0.00035 -0.00005 0.00000 0.00017 -0.00008 57 4ZZ -0.00033 0.00002 0.00010 -0.00024 0.00004 58 4XY -0.00002 -0.00015 0.00001 0.00004 0.00002 59 4XZ 0.00010 -0.00019 0.00001 0.00024 0.00032 60 4YZ 0.00011 0.00019 -0.00008 -0.00013 -0.00005 61 5 C 1S -0.00020 -0.00037 -0.00004 -0.00009 0.00021 62 2S 0.00036 0.00057 0.00040 0.00017 -0.00066 63 2PX -0.00065 0.00085 -0.00037 -0.00006 -0.00122 64 2PY -0.00190 0.00047 -0.00034 -0.00073 -0.00083 65 2PZ 0.00059 -0.00074 -0.00159 0.00000 0.00019 66 3S 0.00205 0.00193 -0.00050 0.00079 -0.00335 67 3PX 0.00004 0.00043 -0.00021 0.00014 -0.00073 68 3PY -0.00223 0.00055 -0.00015 -0.00102 -0.00066 69 3PZ 0.00057 -0.00069 -0.00145 0.00003 0.00060 70 4XX 0.00000 -0.00005 0.00006 -0.00003 0.00020 71 4YY -0.00008 0.00000 0.00012 -0.00001 0.00000 72 4ZZ 0.00004 0.00005 -0.00026 0.00002 -0.00013 73 4XY -0.00002 -0.00008 0.00008 0.00002 0.00000 74 4XZ -0.00005 0.00005 -0.00014 0.00004 -0.00038 75 4YZ -0.00008 0.00019 -0.00027 -0.00018 0.00006 76 6 C 1S -0.00096 -0.00025 0.00180 0.00008 -0.00116 77 2S 0.00214 0.00080 -0.00376 -0.00016 0.00224 78 2PX 0.00147 -0.00075 0.00179 -0.00173 0.01077 79 2PY -0.00421 -0.00076 0.00591 -0.00001 -0.00219 80 2PZ -0.00324 -0.00147 0.00819 0.00049 0.00079 81 3S 0.00135 0.00112 -0.00563 -0.00036 0.00433 82 3PX -0.00079 -0.00046 0.00236 -0.00133 0.00703 83 3PY -0.00088 0.00001 0.00276 0.00020 -0.00146 84 3PZ -0.00087 -0.00208 0.00457 0.00042 0.00175 85 4XX 0.00005 -0.00004 0.00039 0.00001 0.00032 86 4YY -0.00003 -0.00027 0.00013 0.00009 -0.00012 87 4ZZ -0.00001 0.00015 -0.00015 0.00001 -0.00047 88 4XY -0.00031 0.00018 0.00009 -0.00005 -0.00023 89 4XZ -0.00021 -0.00003 0.00008 0.00004 -0.00001 90 4YZ 0.00023 -0.00018 -0.00029 0.00004 0.00003 91 7 H 1S 0.00186 0.00080 0.00512 0.00002 -0.00716 92 2S -0.00151 0.00192 0.00529 -0.00049 -0.00783 93 8 H 1S -0.00407 0.00550 -0.00785 -0.00828 0.01087 94 2S -0.00362 0.00647 -0.00774 -0.00608 0.01062 95 9 H 1S 0.00806 -0.00273 0.00411 0.00313 -0.00349 96 2S 0.00889 -0.00329 0.00215 0.00474 -0.00262 97 10 H 1S 0.00033 -0.00156 0.00015 0.00073 -0.00083 98 2S 0.00077 -0.00124 0.00046 0.00081 -0.00265 99 11 H 1S 0.00013 -0.00008 0.00000 -0.00035 0.00131 100 2S 0.00006 -0.00013 0.00028 -0.00060 0.00304 101 12 H 1S -0.00127 -0.00082 0.00167 0.00027 -0.00090 102 2S -0.00118 -0.00192 0.00249 0.00048 -0.00055 103 13 H 1S -0.00031 0.00069 -0.00159 -0.00023 -0.00150 104 2S -0.00064 0.00071 -0.00181 -0.00036 -0.00143 105 14 H 1S -0.00014 -0.00072 0.00062 0.00133 0.00077 106 2S -0.00013 -0.00169 0.00141 0.00151 0.00146 107 15 C 1S -0.00001 -0.00005 -0.00008 -0.00009 -0.00010 108 2S -0.00017 0.00000 0.00016 0.00011 0.00026 109 2PX -0.00030 -0.00020 0.00013 0.00023 0.00037 110 2PY -0.00004 -0.00020 0.00006 -0.00024 -0.00019 111 2PZ 0.00010 0.00011 -0.00029 -0.00014 -0.00024 112 3S -0.00031 -0.00026 0.00027 0.00021 0.00048 113 3PX 0.00001 -0.00012 0.00013 0.00011 0.00014 114 3PY 0.00003 -0.00003 0.00009 -0.00008 0.00011 115 3PZ 0.00029 0.00067 -0.00046 -0.00021 -0.00057 116 4XX 0.00009 0.00013 -0.00005 -0.00004 -0.00009 117 4YY -0.00002 0.00000 0.00001 0.00002 -0.00002 118 4ZZ -0.00006 -0.00011 0.00004 0.00001 0.00009 119 4XY -0.00004 -0.00008 0.00006 -0.00002 0.00010 120 4XZ -0.00002 -0.00001 0.00002 0.00000 0.00001 121 4YZ -0.00003 -0.00004 0.00007 0.00001 0.00012 122 16 C 1S 0.00004 -0.00029 -0.00017 -0.00039 -0.00066 123 2S -0.00016 0.00024 0.00053 0.00088 0.00094 124 2PX -0.00263 -0.00290 0.00297 0.00048 0.00435 125 2PY 0.00085 0.00015 -0.00044 -0.00018 -0.00114 126 2PZ -0.00130 -0.00243 0.00268 -0.00039 0.00363 127 3S -0.00170 0.00040 0.00083 0.00036 0.00243 128 3PX -0.00184 -0.00224 0.00266 0.00043 0.00313 129 3PY -0.00011 0.00090 -0.00134 -0.00057 -0.00123 130 3PZ -0.00116 -0.00129 0.00150 -0.00028 0.00358 131 4XX -0.00010 -0.00022 0.00008 -0.00007 0.00014 132 4YY 0.00008 0.00001 -0.00001 0.00004 -0.00004 133 4ZZ 0.00007 0.00017 -0.00011 -0.00001 -0.00009 134 4XY -0.00004 0.00002 -0.00003 0.00000 -0.00001 135 4XZ -0.00010 -0.00012 0.00007 -0.00003 0.00009 136 4YZ -0.00007 0.00000 -0.00001 0.00008 0.00002 137 17 C 1S -0.00007 -0.00009 -0.00015 -0.00014 -0.00012 138 2S 0.00011 0.00012 0.00040 0.00022 0.00031 139 2PX -0.00086 -0.00078 0.00032 0.00094 0.00042 140 2PY -0.00089 -0.00044 0.00083 -0.00027 0.00109 141 2PZ -0.00024 -0.00055 -0.00062 0.00048 -0.00030 142 3S 0.00068 -0.00088 0.00199 0.00100 0.00083 143 3PX -0.00029 -0.00002 -0.00069 0.00051 -0.00006 144 3PY -0.00078 0.00009 0.00034 -0.00015 0.00064 145 3PZ -0.00031 -0.00039 0.00057 0.00056 -0.00063 146 4XX 0.00003 -0.00002 -0.00023 -0.00002 -0.00018 147 4YY 0.00000 -0.00001 0.00009 0.00003 0.00004 148 4ZZ -0.00001 0.00004 0.00008 -0.00004 0.00003 149 4XY 0.00012 0.00015 -0.00017 0.00000 -0.00028 150 4XZ 0.00001 0.00003 -0.00010 0.00003 -0.00011 151 4YZ 0.00010 0.00014 -0.00022 0.00001 -0.00028 152 18 H 1S -0.00023 -0.00041 0.00014 0.00006 0.00038 153 2S -0.00051 -0.00114 0.00053 0.00017 0.00089 154 19 H 1S 0.00002 0.00110 -0.00076 0.00068 -0.00057 155 2S 0.00026 0.00140 -0.00166 0.00025 -0.00089 156 20 H 1S -0.00043 -0.00017 0.00129 -0.00016 0.00121 157 2S -0.00052 -0.00024 0.00125 -0.00024 0.00070 158 21 H 1S 0.00037 0.00047 -0.00021 -0.00017 -0.00044 159 2S 0.00070 0.00082 -0.00047 -0.00027 -0.00086 160 22 O 1S -0.00004 0.00000 0.00015 0.00004 0.00002 161 2S 0.00004 -0.00011 -0.00016 -0.00009 0.00007 162 2PX 0.00041 0.00058 0.00003 -0.00051 0.00033 163 2PY 0.00024 0.00028 -0.00001 0.00026 -0.00006 164 2PZ 0.00034 0.00066 0.00025 -0.00007 -0.00020 165 3S 0.00028 0.00054 -0.00178 -0.00022 -0.00067 166 3PX 0.00031 0.00046 -0.00025 -0.00043 0.00026 167 3PY 0.00018 0.00004 0.00020 0.00024 0.00007 168 3PZ 0.00030 0.00051 0.00043 -0.00015 -0.00008 169 4XX -0.00002 -0.00001 0.00007 0.00002 0.00004 170 4YY -0.00002 -0.00004 0.00007 0.00000 0.00003 171 4ZZ -0.00002 -0.00003 0.00009 -0.00001 0.00008 172 4XY -0.00003 -0.00003 0.00002 0.00002 -0.00001 173 4XZ 0.00000 0.00000 0.00001 0.00001 -0.00001 174 4YZ 0.00002 0.00000 -0.00006 0.00000 -0.00005 175 23 O 1S -0.00006 -0.00013 -0.00001 0.00007 0.00018 176 2S 0.00022 0.00056 -0.00003 -0.00008 -0.00030 177 2PX 0.00167 0.00253 -0.00170 -0.00035 -0.00253 178 2PY 0.00014 0.00020 0.00006 0.00047 0.00051 179 2PZ 0.00100 0.00209 -0.00139 -0.00009 -0.00235 180 3S 0.00019 0.00009 0.00011 -0.00016 -0.00123 181 3PX 0.00128 0.00180 -0.00141 -0.00017 -0.00239 182 3PY 0.00012 0.00005 0.00014 0.00034 0.00031 183 3PZ 0.00108 0.00199 -0.00138 -0.00012 -0.00209 184 4XX -0.00005 -0.00002 0.00009 0.00000 0.00014 185 4YY 0.00002 0.00003 0.00000 0.00002 0.00005 186 4ZZ 0.00001 0.00007 -0.00009 -0.00001 -0.00008 187 4XY 0.00007 0.00009 -0.00006 0.00000 -0.00010 188 4XZ -0.00001 -0.00003 0.00001 -0.00002 0.00002 189 4YZ 0.00000 0.00006 -0.00002 -0.00001 -0.00002 31 32 33 34 35 31 3 C 1S 2.05499 32 2S -0.06133 0.32633 33 2PX -0.00315 0.00483 0.35439 34 2PY 0.00191 0.00376 0.02302 0.41151 35 2PZ 0.00214 0.00093 -0.04001 0.00391 0.38399 36 3S -0.19781 0.29069 -0.01224 -0.00350 -0.02807 37 3PX 0.00758 -0.01604 0.19637 -0.01982 0.03217 38 3PY -0.00758 -0.00820 0.00467 0.13002 -0.01758 39 3PZ 0.00297 -0.00462 0.04853 -0.01429 0.17020 40 4XX -0.01132 -0.01296 0.00889 0.00494 -0.00137 41 4YY -0.01838 0.00158 -0.00429 -0.02195 -0.00253 42 4ZZ -0.01398 -0.00730 -0.00781 0.01079 0.00470 43 4XY -0.00161 0.00345 0.00762 -0.00005 -0.00415 44 4XZ 0.00249 -0.00560 -0.00453 -0.00528 0.00115 45 4YZ -0.00081 0.00153 -0.00335 -0.00229 0.01081 46 4 C 1S 0.01252 -0.02297 0.02144 -0.02956 -0.05185 47 2S -0.02336 0.03914 -0.04300 0.05547 0.10797 48 2PX -0.01709 0.03374 0.00049 0.02749 0.08303 49 2PY 0.02349 -0.04867 0.02057 -0.03154 -0.11038 50 2PZ 0.06432 -0.13740 0.10110 -0.12205 -0.23453 51 3S 0.00258 0.02396 -0.09361 0.11180 0.08684 52 3PX -0.00271 0.01329 -0.00003 0.01604 0.03736 53 3PY 0.00571 -0.01147 0.01358 0.00261 -0.05337 54 3PZ 0.01309 -0.04402 0.04351 -0.05773 -0.11715 55 4XX 0.00197 -0.00450 0.00736 -0.00167 -0.00375 56 4YY 0.00081 -0.00222 0.00072 -0.00983 -0.00224 57 4ZZ -0.00456 0.00848 -0.00574 0.00739 0.00103 58 4XY 0.00115 -0.00204 -0.00143 0.00103 -0.00361 59 4XZ 0.00264 -0.00524 -0.00785 -0.00344 -0.00571 60 4YZ -0.00410 0.00767 -0.00393 -0.00341 0.00869 61 5 C 1S -0.00202 0.00420 -0.00310 0.00914 0.00490 62 2S 0.00459 -0.00918 0.00431 -0.01813 -0.01663 63 2PX 0.00180 -0.00337 0.00565 -0.00361 -0.00160 64 2PY -0.01024 0.02611 -0.00236 0.03528 0.03068 65 2PZ -0.00336 0.01374 -0.00369 0.00754 0.02388 66 3S -0.00082 -0.01381 0.04769 -0.07649 0.00218 67 3PX -0.00044 -0.00408 0.00897 -0.00860 0.00185 68 3PY -0.00685 0.01928 -0.00923 0.05188 0.01857 69 3PZ 0.00016 0.00716 -0.01326 0.00332 0.01589 70 4XX -0.00043 0.00105 -0.00160 0.00085 -0.00003 71 4YY -0.00057 0.00088 -0.00257 0.00192 0.00053 72 4ZZ 0.00018 -0.00091 0.00295 -0.00150 0.00092 73 4XY 0.00034 -0.00060 -0.00054 -0.00070 -0.00295 74 4XZ 0.00007 -0.00012 0.00227 -0.00068 0.00232 75 4YZ -0.00151 0.00341 -0.00257 0.00453 0.00723 76 6 C 1S -0.00468 0.00678 -0.00443 0.01024 -0.00218 77 2S 0.00678 -0.01943 0.01494 -0.02846 0.00306 78 2PX -0.00443 0.01494 -0.09410 0.02687 -0.03865 79 2PY -0.01024 0.02846 -0.02687 0.03618 -0.01452 80 2PZ -0.00218 0.00306 -0.03865 0.01452 -0.06998 81 3S 0.02825 -0.03182 -0.02300 -0.03183 0.02406 82 3PX -0.00346 0.01217 -0.08553 0.02905 -0.03407 83 3PY -0.01062 0.00751 0.01954 -0.01164 -0.01762 84 3PZ -0.00234 0.00645 -0.04464 0.01710 -0.05610 85 4XX -0.00045 -0.00045 -0.00092 -0.00052 -0.00105 86 4YY -0.00084 0.00068 -0.00196 0.00122 -0.00053 87 4ZZ -0.00046 0.00014 0.00232 -0.00074 0.00066 88 4XY -0.00044 0.00070 0.00076 0.00097 -0.00146 89 4XZ -0.00005 -0.00038 0.00001 -0.00024 -0.00002 90 4YZ -0.00001 0.00004 -0.00161 0.00042 0.00128 91 7 H 1S -0.00753 0.01707 0.03031 0.01511 -0.01497 92 2S -0.01234 0.02410 0.06563 0.03045 -0.02983 93 8 H 1S 0.01338 -0.02791 -0.03271 -0.00421 0.03215 94 2S 0.01887 -0.03229 -0.07741 0.00142 0.06794 95 9 H 1S -0.05969 0.11295 -0.02940 -0.26416 -0.02264 96 2S -0.01311 0.02597 -0.00926 -0.24494 -0.02199 97 10 H 1S 0.00809 -0.01963 0.02500 -0.00183 -0.02345 98 2S 0.01421 -0.02688 0.08200 -0.01218 -0.02898 99 11 H 1S -0.00421 0.01109 -0.01223 0.01109 0.01092 100 2S -0.00628 0.01443 -0.02775 0.02015 0.01335 101 12 H 1S -0.00252 0.00795 -0.01088 0.00924 -0.00291 102 2S -0.00361 0.01394 -0.03433 0.02541 -0.00578 103 13 H 1S -0.00194 0.00810 0.00892 0.00399 0.02444 104 2S -0.00257 0.00829 0.01197 0.01246 0.03387 105 14 H 1S 0.00810 -0.02346 0.00302 -0.00514 -0.02613 106 2S 0.01254 -0.02988 -0.00775 -0.01031 -0.05903 107 15 C 1S 0.00031 0.00016 0.00230 -0.00028 0.00028 108 2S -0.00014 0.00012 -0.00528 0.00125 -0.00036 109 2PX -0.00106 0.00104 -0.00789 0.00129 -0.00106 110 2PY 0.00029 -0.00035 0.00362 0.00069 -0.00186 111 2PZ -0.00089 0.00172 0.00116 -0.00103 0.00274 112 3S -0.00167 -0.00067 -0.01412 0.00313 -0.00050 113 3PX -0.00070 -0.00067 -0.00054 -0.00011 -0.00161 114 3PY -0.00010 0.00080 -0.00120 -0.00034 -0.00116 115 3PZ -0.00012 0.00145 0.01062 -0.00170 0.00866 116 4XX 0.00047 -0.00028 0.00260 -0.00032 0.00062 117 4YY 0.00012 -0.00014 0.00035 -0.00024 0.00036 118 4ZZ -0.00034 0.00032 -0.00261 0.00051 -0.00089 119 4XY -0.00036 0.00075 -0.00234 0.00068 -0.00100 120 4XZ 0.00011 -0.00015 0.00004 0.00016 0.00005 121 4YZ -0.00050 0.00078 -0.00242 0.00047 -0.00097 122 16 C 1S -0.00195 0.00260 0.00844 -0.00428 0.00244 123 2S 0.00085 -0.01172 -0.01025 0.00287 -0.00673 124 2PX -0.00438 0.00253 -0.10007 0.03473 -0.05651 125 2PY -0.00057 0.00518 0.02520 -0.01767 0.00962 126 2PZ -0.00771 0.01090 -0.08812 0.02312 -0.05946 127 3S 0.01939 -0.00897 -0.03369 0.03756 0.01772 128 3PX 0.00116 -0.00241 -0.06898 0.02648 -0.05827 129 3PY 0.00042 0.00593 0.01876 0.00967 0.01998 130 3PZ 0.00289 0.00279 -0.07191 0.01844 -0.02544 131 4XX -0.00166 0.00291 -0.00639 0.00236 -0.00506 132 4YY -0.00015 -0.00072 0.00200 -0.00233 0.00114 133 4ZZ 0.00005 -0.00093 0.00300 -0.00031 0.00308 134 4XY 0.00065 -0.00175 0.00232 0.00081 0.00135 135 4XZ -0.00087 0.00215 -0.00444 0.00155 -0.00101 136 4YZ 0.00069 -0.00189 0.00161 0.00050 0.00103 137 17 C 1S -0.00096 0.00324 -0.00345 0.00441 -0.00066 138 2S 0.00309 -0.00397 0.00801 -0.00650 0.00422 139 2PX 0.00602 -0.01970 0.00551 -0.00668 0.00167 140 2PY -0.00166 0.00257 -0.02186 0.01611 -0.01217 141 2PZ 0.00542 -0.01607 0.01141 -0.00646 0.00573 142 3S -0.00390 -0.01547 0.01235 -0.04106 -0.01991 143 3PX 0.00525 -0.01582 0.01447 -0.00809 0.01702 144 3PY 0.00344 -0.00096 -0.00299 0.01500 0.01066 145 3PZ 0.00095 -0.01385 0.02189 -0.00944 -0.00461 146 4XX -0.00015 0.00009 0.00100 0.00028 0.00082 147 4YY 0.00008 -0.00002 -0.00029 -0.00010 -0.00048 148 4ZZ -0.00011 0.00080 -0.00016 0.00085 0.00001 149 4XY 0.00037 -0.00017 0.00560 -0.00230 0.00325 150 4XZ 0.00016 -0.00052 0.00162 -0.00076 0.00149 151 4YZ 0.00043 -0.00030 0.00505 -0.00154 0.00330 152 18 H 1S -0.00145 0.00102 -0.00985 0.00186 -0.00338 153 2S -0.00191 0.00051 -0.01929 0.00327 -0.01360 154 19 H 1S 0.00600 -0.01492 0.02504 -0.00207 0.02148 155 2S 0.00674 -0.01323 0.02736 -0.00707 0.02821 156 20 H 1S -0.00217 0.00570 -0.01886 0.00820 -0.01269 157 2S -0.00428 0.00822 -0.02244 0.01240 -0.02171 158 21 H 1S 0.00142 -0.00087 0.01077 -0.00153 0.00282 159 2S 0.00191 -0.00083 0.02157 -0.00370 0.00566 160 22 O 1S -0.00022 -0.00083 0.00029 -0.00057 -0.00038 161 2S -0.00032 0.00189 -0.00261 0.00159 -0.00241 162 2PX -0.00196 0.01053 -0.00511 0.00636 -0.00385 163 2PY 0.00012 -0.00069 0.00506 -0.00592 0.00207 164 2PZ -0.00038 0.00618 0.01085 -0.00505 0.00366 165 3S 0.00417 0.00260 0.00466 0.00354 0.01629 166 3PX -0.00087 0.00950 -0.00800 0.00668 -0.00036 167 3PY -0.00084 -0.00063 0.00068 -0.00534 -0.00212 168 3PZ -0.00100 0.00695 0.00652 -0.00313 0.00013 169 4XX 0.00013 -0.00070 0.00054 -0.00032 -0.00035 170 4YY -0.00035 0.00001 -0.00039 0.00001 -0.00100 171 4ZZ -0.00059 0.00049 -0.00161 0.00047 -0.00143 172 4XY -0.00006 -0.00032 -0.00006 0.00005 -0.00023 173 4XZ 0.00001 -0.00012 0.00024 -0.00009 0.00015 174 4YZ 0.00000 -0.00005 0.00046 -0.00022 0.00048 175 23 O 1S -0.00006 0.00124 -0.00404 0.00016 0.00063 176 2S 0.00144 -0.00357 0.00922 -0.00011 0.00160 177 2PX 0.00871 -0.01381 0.06018 -0.01144 0.01992 178 2PY -0.00185 0.00158 -0.00860 -0.00100 -0.00434 179 2PZ 0.00815 -0.00917 0.05232 -0.01312 0.02773 180 3S -0.00560 -0.00092 0.01761 -0.00057 -0.01791 181 3PX 0.00393 -0.01001 0.05169 -0.01067 0.01445 182 3PY -0.00167 0.00082 -0.00514 -0.00137 -0.00722 183 3PZ 0.00725 -0.00761 0.04912 -0.01409 0.03125 184 4XX 0.00024 -0.00022 -0.00249 0.00102 -0.00083 185 4YY 0.00041 0.00028 -0.00014 -0.00053 0.00077 186 4ZZ 0.00077 -0.00013 0.00221 -0.00025 0.00242 187 4XY 0.00030 -0.00069 0.00263 -0.00048 0.00036 188 4XZ -0.00009 0.00043 -0.00078 0.00004 -0.00006 189 4YZ 0.00035 -0.00059 0.00104 0.00015 0.00079 36 37 38 39 40 36 3S 0.30061 37 3PX -0.02129 0.12487 38 3PY 0.00563 -0.00624 0.05321 39 3PZ -0.02581 0.05271 -0.01514 0.09658 40 4XX -0.01129 0.00518 0.00167 0.00075 0.00149 41 4YY 0.00386 -0.00113 -0.00652 -0.00038 -0.00052 42 4ZZ -0.00678 -0.00449 0.00330 -0.00006 0.00007 43 4XY 0.00321 0.00319 0.00011 -0.00028 0.00000 44 4XZ -0.00351 -0.00169 -0.00145 -0.00063 0.00001 45 4YZ 0.00060 -0.00006 -0.00162 0.00357 -0.00014 46 4 C 1S -0.00158 0.00447 -0.00707 -0.00574 0.00165 47 2S 0.01520 -0.01064 0.01663 0.02430 -0.00383 48 2PX 0.03858 0.00011 0.00297 0.01550 -0.00730 49 2PY -0.03620 0.00743 -0.01297 -0.05084 0.00065 50 2PZ -0.11064 0.03885 -0.01883 -0.09077 0.00545 51 3S 0.00025 -0.04852 0.02853 -0.00064 -0.00365 52 3PX 0.01153 -0.00165 -0.00036 0.00755 -0.00317 53 3PY -0.00988 0.00132 -0.00475 -0.02377 0.00081 54 3PZ -0.02320 0.01622 -0.00274 -0.04787 0.00129 55 4XX -0.00464 0.00411 0.00008 0.00010 0.00055 56 4YY -0.00177 0.00125 -0.00342 -0.00014 -0.00011 57 4ZZ 0.00861 -0.00456 0.00229 -0.00148 -0.00043 58 4XY -0.00249 -0.00119 0.00060 -0.00105 0.00026 59 4XZ -0.00331 -0.00505 -0.00034 -0.00512 -0.00024 60 4YZ 0.00612 -0.00155 -0.00276 0.00415 -0.00030 61 5 C 1S 0.00385 -0.00368 0.00396 0.00182 0.00030 62 2S -0.00945 0.00480 -0.00899 -0.00699 -0.00104 63 2PX -0.01293 -0.00201 -0.00015 0.00415 -0.00016 64 2PY 0.02808 -0.00942 0.01240 0.02231 0.00101 65 2PZ -0.00623 -0.01452 -0.02514 0.02493 0.00235 66 3S -0.01020 0.04237 -0.02365 0.01384 -0.00084 67 3PX -0.00771 0.00407 -0.00201 0.00494 -0.00010 68 3PY 0.01837 -0.01155 0.01565 0.00894 0.00038 69 3PZ -0.00339 -0.01371 -0.01143 0.01345 0.00078 70 4XX 0.00059 -0.00185 -0.00079 -0.00002 0.00012 71 4YY 0.00051 -0.00138 0.00036 -0.00117 -0.00021 72 4ZZ -0.00049 0.00227 0.00067 0.00161 0.00010 73 4XY -0.00114 -0.00075 -0.00018 -0.00084 0.00020 74 4XZ 0.00027 0.00192 -0.00021 0.00237 0.00014 75 4YZ 0.00211 -0.00124 0.00038 0.00342 -0.00004 76 6 C 1S 0.02825 -0.00346 0.01062 -0.00234 -0.00045 77 2S -0.03182 0.01217 -0.00751 0.00645 -0.00045 78 2PX -0.02300 -0.08553 -0.01954 -0.04464 -0.00092 79 2PY 0.03182 -0.02905 -0.01165 -0.01710 0.00052 80 2PZ 0.02406 -0.03407 0.01762 -0.05610 -0.00105 81 3S -0.04410 -0.00580 -0.00615 0.01062 0.00048 82 3PX -0.00580 -0.07056 -0.00673 -0.04023 -0.00074 83 3PY 0.00615 0.00673 -0.01300 -0.00672 0.00022 84 3PZ 0.01062 -0.04023 0.00672 -0.04212 -0.00188 85 4XX 0.00048 -0.00074 -0.00022 -0.00188 0.00045 86 4YY 0.00050 -0.00168 -0.00039 -0.00021 -0.00016 87 4ZZ 0.00055 0.00204 0.00018 0.00145 -0.00017 88 4XY 0.00203 0.00098 0.00099 -0.00105 0.00001 89 4XZ 0.00018 -0.00004 0.00026 0.00010 0.00019 90 4YZ -0.00050 -0.00116 0.00007 0.00136 -0.00007 91 7 H 1S 0.04153 0.02563 0.00659 -0.01358 0.00034 92 2S 0.04888 0.04372 0.01573 -0.01523 0.00109 93 8 H 1S -0.05772 -0.01770 -0.01041 0.00730 0.00307 94 2S -0.05898 -0.03769 -0.01146 0.01283 0.00157 95 9 H 1S 0.11235 -0.00498 -0.08410 -0.00406 -0.00852 96 2S 0.03320 0.01110 -0.07232 0.00216 -0.00501 97 10 H 1S -0.03205 0.01669 0.00582 0.00221 0.00458 98 2S -0.04475 0.04621 -0.00375 0.01693 0.00610 99 11 H 1S 0.01102 -0.00908 -0.00455 0.00279 -0.00024 100 2S 0.01061 -0.02205 -0.00342 -0.00198 -0.00114 101 12 H 1S 0.00542 -0.01174 -0.00990 -0.00326 -0.00021 102 2S 0.01443 -0.02815 -0.00402 -0.00905 -0.00090 103 13 H 1S -0.00360 0.00075 -0.00943 0.02497 0.00137 104 2S 0.00098 0.00617 -0.00178 0.02866 0.00250 105 14 H 1S -0.01620 -0.00408 0.00731 -0.02954 -0.00244 106 2S -0.01438 -0.01446 0.00677 -0.04306 -0.00103 107 15 C 1S -0.00427 0.00077 -0.00191 0.00078 0.00004 108 2S 0.00569 -0.00092 0.00097 -0.00391 0.00020 109 2PX 0.01578 -0.00104 0.00454 -0.00865 -0.00021 110 2PY -0.00790 -0.00267 0.00141 0.00228 0.00035 111 2PZ 0.01037 0.00059 0.00641 0.00421 -0.00101 112 3S 0.00771 -0.00509 0.00322 -0.00671 0.00069 113 3PX 0.00049 0.00104 -0.00155 -0.00251 0.00030 114 3PY 0.00407 -0.00169 0.00206 -0.00055 -0.00023 115 3PZ -0.00685 0.00525 -0.00533 0.00992 -0.00113 116 4XX -0.00398 0.00129 -0.00246 0.00156 0.00006 117 4YY -0.00117 -0.00005 -0.00051 0.00071 -0.00003 118 4ZZ 0.00503 -0.00109 0.00301 -0.00210 -0.00004 119 4XY 0.00072 -0.00172 0.00061 -0.00133 -0.00015 120 4XZ -0.00051 -0.00014 0.00009 0.00040 0.00006 121 4YZ 0.00382 -0.00104 0.00135 -0.00158 -0.00024 122 16 C 1S 0.00479 -0.00167 -0.00191 0.00396 -0.00149 123 2S 0.00189 0.00231 0.00686 -0.00722 0.00264 124 2PX 0.00879 -0.06592 0.01521 -0.05403 0.00496 125 2PY -0.00296 0.01542 -0.00272 0.01961 -0.00346 126 2PZ 0.03433 -0.06243 0.01959 -0.05024 0.00291 127 3S 0.00633 -0.00809 0.01663 -0.00658 0.00472 128 3PX 0.01131 -0.04891 0.01405 -0.04815 0.00307 129 3PY -0.00142 0.01363 -0.00006 0.01789 -0.00193 130 3PZ 0.01276 -0.04703 0.01041 -0.03220 0.00247 131 4XX 0.00712 -0.00462 0.00312 -0.00457 -0.00044 132 4YY -0.00221 0.00123 -0.00109 0.00142 0.00004 133 4ZZ -0.00431 0.00194 -0.00251 0.00257 0.00018 134 4XY 0.00026 0.00166 0.00187 0.00108 0.00038 135 4XZ 0.00174 -0.00304 0.00075 -0.00144 -0.00023 136 4YZ 0.00001 0.00253 0.00115 -0.00021 0.00043 137 17 C 1S -0.00040 -0.00317 -0.00096 -0.00133 -0.00050 138 2S -0.00631 0.00581 -0.00158 0.00434 0.00121 139 2PX 0.01556 0.01645 0.02124 0.00020 0.00642 140 2PY 0.00887 -0.01834 0.00077 -0.01980 0.00218 141 2PZ 0.00403 0.02241 0.01483 -0.00082 0.00551 142 3S -0.00131 0.00671 -0.00009 -0.00728 0.00314 143 3PX 0.00104 0.01959 0.01035 0.00997 0.00457 144 3PY 0.00791 0.00145 0.00611 -0.00096 0.00247 145 3PZ 0.00823 0.02259 0.01129 -0.00260 0.00448 146 4XX 0.00048 0.00095 0.00073 0.00042 0.00002 147 4YY 0.00091 0.00000 0.00033 -0.00013 0.00001 148 4ZZ -0.00076 -0.00059 -0.00107 -0.00013 -0.00011 149 4XY -0.00075 0.00377 -0.00101 0.00331 -0.00023 150 4XZ 0.00094 0.00169 0.00101 0.00148 0.00002 151 4YZ -0.00172 0.00388 -0.00112 0.00305 -0.00021 152 18 H 1S 0.02158 -0.00373 0.01273 -0.00671 -0.00017 153 2S 0.03436 -0.00893 0.02261 -0.01663 0.00052 154 19 H 1S -0.01940 0.02450 -0.00643 0.01187 0.00237 155 2S -0.02510 0.02492 -0.01126 0.01827 0.00128 156 20 H 1S 0.00326 -0.01990 -0.00386 -0.01165 -0.00039 157 2S 0.00516 -0.02251 -0.00369 -0.01651 -0.00119 158 21 H 1S -0.01834 0.00436 -0.01006 0.00827 0.00012 159 2S -0.02970 0.00959 -0.01785 0.01473 -0.00027 160 22 O 1S 0.00478 -0.00034 0.00292 -0.00037 0.00005 161 2S -0.01174 -0.00062 -0.00710 -0.00261 0.00009 162 2PX -0.01340 -0.00598 -0.01719 -0.00465 -0.00284 163 2PY 0.01503 0.01029 0.00351 0.00627 -0.00057 164 2PZ -0.00940 0.00676 -0.01291 0.01134 -0.00300 165 3S -0.02205 0.00577 -0.01075 0.01417 -0.00127 166 3PX -0.00989 -0.00764 -0.01269 -0.00164 -0.00285 167 3PY 0.01203 0.00555 0.00296 0.00118 -0.00037 168 3PZ -0.00809 0.00206 -0.01200 0.00636 -0.00270 169 4XX -0.00027 0.00061 0.00014 -0.00022 0.00027 170 4YY -0.00009 -0.00059 -0.00005 -0.00109 0.00006 171 4ZZ 0.00112 -0.00155 0.00034 -0.00116 -0.00011 172 4XY 0.00078 -0.00003 0.00066 -0.00012 0.00012 173 4XZ 0.00042 0.00039 0.00024 0.00009 0.00002 174 4YZ -0.00012 0.00021 0.00012 0.00030 -0.00002 175 23 O 1S -0.00071 0.00230 -0.00275 -0.00410 0.00035 176 2S 0.00712 -0.00370 0.00817 0.00912 -0.00046 177 2PX -0.06013 0.03304 -0.03525 0.03603 0.00293 178 2PY 0.03805 0.01207 0.00553 -0.01762 -0.00032 179 2PZ -0.09377 0.02384 -0.05511 0.04420 0.00201 180 3S 0.00111 -0.00863 0.00729 0.00833 -0.00246 181 3PX -0.04691 0.02864 -0.02790 0.02875 0.00148 182 3PY 0.02465 0.00708 0.00346 -0.01326 -0.00033 183 3PZ -0.06963 0.02555 -0.04139 0.04031 0.00128 184 4XX -0.00102 -0.00166 -0.00027 -0.00089 0.00033 185 4YY 0.00234 0.00115 0.00011 -0.00071 -0.00001 186 4ZZ 0.00016 0.00189 0.00023 0.00145 -0.00001 187 4XY -0.00189 0.00172 -0.00110 0.00119 0.00010 188 4XZ -0.00061 -0.00060 -0.00050 -0.00008 0.00002 189 4YZ -0.00343 0.00027 -0.00176 0.00116 0.00021 41 42 43 44 45 41 4YY 0.00186 42 4ZZ -0.00073 0.00145 43 4XY 0.00013 -0.00035 0.00042 44 4XZ 0.00039 -0.00006 -0.00009 0.00069 45 4YZ 0.00011 0.00004 -0.00027 0.00008 0.00065 46 4 C 1S 0.00168 -0.00512 0.00133 0.00200 -0.00340 47 2S -0.00346 0.00885 -0.00249 -0.00368 0.00664 48 2PX -0.00096 0.00570 0.00081 0.00911 0.00319 49 2PY 0.00950 -0.00773 -0.00065 0.00272 0.00439 50 2PZ 0.00364 0.00068 0.00406 0.00359 -0.00854 51 3S -0.00684 0.01172 -0.00382 -0.00373 0.00655 52 3PX -0.00064 0.00266 0.00044 0.00421 0.00139 53 3PY 0.00362 -0.00391 0.00012 0.00107 0.00182 54 3PZ 0.00256 -0.00033 0.00239 0.00117 -0.00426 55 4XX -0.00029 0.00004 0.00017 -0.00027 -0.00039 56 4YY 0.00085 -0.00055 -0.00004 0.00019 0.00020 57 4ZZ -0.00039 0.00029 0.00001 0.00011 -0.00009 58 4XY -0.00005 -0.00009 -0.00006 -0.00038 -0.00013 59 4XZ 0.00016 0.00052 -0.00012 0.00062 -0.00011 60 4YZ 0.00031 -0.00033 -0.00008 -0.00002 0.00031 61 5 C 1S -0.00148 0.00048 0.00034 -0.00008 -0.00110 62 2S 0.00319 -0.00116 -0.00074 0.00025 0.00199 63 2PX 0.00054 -0.00018 0.00001 -0.00082 0.00032 64 2PY -0.00818 0.00392 0.00173 -0.00099 -0.00724 65 2PZ -0.00101 0.00006 0.00056 0.00056 -0.00107 66 3S 0.00541 -0.00338 -0.00077 0.00033 0.00250 67 3PX 0.00059 -0.00022 0.00018 -0.00058 0.00018 68 3PY -0.00566 0.00313 0.00045 -0.00110 -0.00318 69 3PZ 0.00002 -0.00023 0.00014 0.00060 -0.00055 70 4XX -0.00023 0.00006 0.00006 0.00005 -0.00021 71 4YY 0.00009 0.00022 -0.00008 -0.00008 0.00034 72 4ZZ -0.00009 -0.00005 0.00001 -0.00003 -0.00021 73 4XY 0.00003 -0.00017 -0.00002 -0.00028 -0.00007 74 4XZ 0.00003 -0.00008 -0.00002 0.00001 -0.00004 75 4YZ -0.00020 0.00002 -0.00012 -0.00009 0.00018 76 6 C 1S -0.00084 -0.00046 0.00044 -0.00005 0.00001 77 2S 0.00068 0.00014 -0.00070 -0.00038 -0.00004 78 2PX -0.00196 0.00232 -0.00076 0.00001 0.00161 79 2PY -0.00122 0.00074 0.00097 0.00024 0.00042 80 2PZ -0.00053 0.00066 0.00146 -0.00002 -0.00128 81 3S 0.00050 0.00055 -0.00203 0.00018 0.00050 82 3PX -0.00168 0.00204 -0.00098 -0.00004 0.00116 83 3PY 0.00039 -0.00018 0.00099 -0.00026 0.00007 84 3PZ -0.00021 0.00145 0.00105 0.00010 -0.00136 85 4XX -0.00016 -0.00017 -0.00001 0.00019 0.00007 86 4YY 0.00037 -0.00008 0.00015 0.00005 0.00004 87 4ZZ -0.00008 0.00018 -0.00005 -0.00012 -0.00014 88 4XY -0.00015 0.00005 -0.00013 -0.00004 0.00005 89 4XZ 0.00005 -0.00012 0.00004 0.00005 0.00000 90 4YZ -0.00004 0.00014 0.00005 0.00000 -0.00025 91 7 H 1S -0.00257 0.00002 -0.00085 -0.00030 0.00058 92 2S -0.00387 -0.00050 -0.00037 -0.00117 0.00017 93 8 H 1S -0.00535 0.00632 -0.00350 -0.00387 0.00211 94 2S -0.00515 0.00695 -0.00520 -0.00176 0.00393 95 9 H 1S 0.01671 -0.00993 0.00154 0.00194 0.00170 96 2S 0.01588 -0.00874 0.00135 0.00309 0.00104 97 10 H 1S -0.00287 0.00116 0.00002 -0.00707 -0.00220 98 2S -0.00199 -0.00220 0.00147 -0.00574 -0.00328 99 11 H 1S -0.00155 0.00123 0.00019 0.00082 -0.00098 100 2S -0.00211 0.00239 0.00041 0.00093 -0.00075 101 12 H 1S 0.00086 -0.00008 0.00059 0.00023 0.00041 102 2S 0.00150 -0.00030 0.00078 0.00062 0.00057 103 13 H 1S -0.00100 -0.00013 0.00010 -0.00069 -0.00105 104 2S -0.00204 -0.00038 -0.00006 -0.00099 -0.00117 105 14 H 1S -0.00242 0.00811 0.00106 0.00401 -0.00144 106 2S -0.00166 0.00535 0.00102 0.00503 -0.00280 107 15 C 1S 0.00013 0.00003 0.00003 -0.00016 -0.00007 108 2S -0.00018 0.00009 0.00003 0.00059 0.00011 109 2PX -0.00006 0.00010 0.00012 0.00040 0.00005 110 2PY -0.00002 -0.00026 0.00017 -0.00029 -0.00002 111 2PZ 0.00037 0.00014 0.00013 -0.00018 0.00016 112 3S -0.00020 -0.00002 -0.00016 0.00112 0.00013 113 3PX 0.00012 -0.00010 0.00009 0.00002 0.00009 114 3PY 0.00008 -0.00009 0.00006 -0.00014 0.00004 115 3PZ 0.00041 0.00050 0.00026 -0.00024 0.00028 116 4XX 0.00002 0.00004 0.00004 -0.00007 0.00002 117 4YY 0.00002 0.00002 -0.00003 0.00003 0.00000 118 4ZZ -0.00004 -0.00008 -0.00001 0.00000 -0.00001 119 4XY 0.00002 0.00010 0.00001 -0.00004 0.00001 120 4XZ -0.00002 -0.00001 -0.00002 0.00002 0.00000 121 4YZ 0.00002 0.00009 0.00000 -0.00009 0.00001 122 16 C 1S 0.00012 -0.00031 0.00016 -0.00082 0.00007 123 2S -0.00134 -0.00051 -0.00064 0.00233 -0.00042 124 2PX -0.00229 -0.00005 -0.00256 0.00541 -0.00117 125 2PY 0.00230 -0.00012 -0.00041 -0.00262 -0.00042 126 2PZ -0.00079 -0.00138 -0.00185 0.00200 -0.00099 127 3S -0.00364 -0.00023 -0.00142 0.00285 0.00038 128 3PX -0.00184 0.00015 -0.00135 0.00369 -0.00132 129 3PY -0.00001 0.00089 -0.00003 -0.00203 0.00012 130 3PZ -0.00113 -0.00026 -0.00168 0.00204 0.00000 131 4XX 0.00003 0.00011 0.00002 -0.00022 -0.00008 132 4YY 0.00015 -0.00007 -0.00001 0.00004 0.00001 133 4ZZ -0.00003 0.00003 0.00004 0.00003 0.00010 134 4XY -0.00013 -0.00018 -0.00002 0.00006 0.00001 135 4XZ 0.00003 0.00010 -0.00009 -0.00003 0.00000 136 4YZ -0.00015 -0.00011 -0.00003 0.00023 -0.00001 137 17 C 1S -0.00011 0.00057 0.00027 -0.00026 0.00015 138 2S 0.00040 -0.00090 -0.00041 0.00034 -0.00011 139 2PX -0.00097 -0.00319 -0.00142 0.00302 -0.00055 140 2PY -0.00126 -0.00002 0.00056 0.00109 0.00046 141 2PZ -0.00060 -0.00255 -0.00099 0.00228 -0.00052 142 3S 0.00159 -0.00306 -0.00029 0.00172 -0.00055 143 3PX -0.00070 -0.00203 -0.00087 0.00155 -0.00013 144 3PY -0.00134 -0.00063 0.00000 0.00055 0.00041 145 3PZ -0.00045 -0.00256 -0.00032 0.00176 -0.00045 146 4XX -0.00003 -0.00003 0.00001 0.00002 -0.00004 147 4YY 0.00000 -0.00004 -0.00001 0.00003 -0.00001 148 4ZZ 0.00000 0.00012 0.00007 -0.00008 0.00007 149 4XY 0.00013 -0.00002 0.00010 -0.00023 0.00004 150 4XZ 0.00001 -0.00009 -0.00005 -0.00002 0.00000 151 4YZ 0.00009 0.00009 0.00009 -0.00015 0.00003 152 18 H 1S -0.00012 -0.00023 0.00000 0.00017 -0.00002 153 2S -0.00042 -0.00084 -0.00028 0.00005 -0.00029 154 19 H 1S -0.00130 0.00016 0.00041 0.00177 0.00041 155 2S -0.00061 0.00053 0.00025 0.00071 0.00067 156 20 H 1S -0.00023 0.00048 0.00024 -0.00001 0.00028 157 2S -0.00023 0.00102 0.00025 -0.00013 0.00010 158 21 H 1S 0.00009 0.00020 0.00012 -0.00031 0.00004 159 2S 0.00042 0.00041 0.00035 -0.00087 0.00012 160 22 O 1S -0.00013 -0.00024 -0.00001 0.00001 -0.00001 161 2S 0.00025 0.00047 0.00007 0.00013 -0.00003 162 2PX 0.00074 0.00252 0.00087 -0.00149 0.00036 163 2PY 0.00051 -0.00016 -0.00024 -0.00050 0.00001 164 2PZ 0.00126 0.00186 0.00054 -0.00179 0.00037 165 3S 0.00029 0.00151 -0.00019 -0.00050 0.00001 166 3PX 0.00057 0.00228 0.00059 -0.00134 0.00031 167 3PY 0.00046 -0.00020 -0.00018 -0.00030 -0.00001 168 3PZ 0.00102 0.00155 0.00056 -0.00155 0.00033 169 4XX -0.00002 -0.00012 -0.00002 0.00009 0.00000 170 4YY -0.00002 -0.00004 0.00003 0.00004 -0.00001 171 4ZZ -0.00001 0.00003 0.00002 -0.00003 0.00001 172 4XY -0.00005 -0.00008 -0.00001 0.00007 -0.00001 173 4XZ -0.00001 -0.00002 0.00000 0.00001 0.00000 174 4YZ 0.00000 -0.00004 -0.00001 -0.00002 -0.00002 175 23 O 1S 0.00017 0.00016 -0.00005 0.00011 0.00000 176 2S -0.00051 -0.00055 0.00017 -0.00025 0.00013 177 2PX -0.00016 -0.00088 0.00094 0.00017 0.00009 178 2PY 0.00000 -0.00001 0.00031 -0.00046 -0.00005 179 2PZ 0.00057 0.00045 -0.00014 0.00175 0.00007 180 3S 0.00010 0.00027 0.00047 -0.00070 -0.00070 181 3PX 0.00019 -0.00035 0.00083 -0.00011 -0.00009 182 3PY 0.00005 0.00008 0.00030 -0.00019 -0.00017 183 3PZ 0.00055 0.00015 0.00014 0.00076 0.00036 184 4XX -0.00011 -0.00007 -0.00008 0.00020 0.00001 185 4YY 0.00002 -0.00005 0.00002 -0.00001 0.00004 186 4ZZ -0.00003 -0.00002 0.00004 -0.00007 0.00006 187 4XY 0.00001 -0.00005 0.00003 -0.00002 -0.00002 188 4XZ 0.00003 0.00000 -0.00003 -0.00005 0.00000 189 4YZ -0.00004 0.00000 -0.00003 0.00017 0.00002 46 47 48 49 50 46 4 C 1S 2.05092 47 2S -0.05341 0.30682 48 2PX 0.00090 -0.00094 0.41187 49 2PY 0.00199 -0.00122 0.00499 0.38124 50 2PZ -0.00339 0.00249 0.00313 -0.00574 0.38896 51 3S -0.18586 0.27976 0.00647 0.00793 -0.02478 52 3PX 0.00226 -0.00385 0.18596 0.00356 -0.00071 53 3PY -0.00044 -0.00253 -0.00076 0.17352 -0.00966 54 3PZ -0.00163 0.00937 -0.00745 -0.00608 0.17987 55 4XX -0.01787 0.00019 -0.01073 -0.01029 0.01115 56 4YY -0.01551 -0.00514 -0.00056 0.01508 -0.00103 57 4ZZ -0.01630 -0.00351 0.01053 -0.00819 -0.00580 58 4XY -0.00056 0.00106 -0.01582 -0.00029 -0.00039 59 4XZ -0.00050 0.00110 0.01494 0.00053 0.01187 60 4YZ 0.00140 -0.00268 0.00003 0.00069 -0.01284 61 5 C 1S 0.01015 -0.01941 -0.00027 -0.06234 0.00368 62 2S -0.01941 0.03034 0.00112 0.12842 -0.00768 63 2PX -0.00027 0.00112 -0.00075 -0.00197 -0.00493 64 2PY 0.06234 -0.12842 0.00197 -0.31488 0.00211 65 2PZ 0.00368 -0.00768 -0.00493 -0.00212 0.00695 66 3S 0.00627 0.00956 -0.00446 0.12580 -0.00424 67 3PX -0.00051 0.00149 -0.00514 -0.00285 0.00109 68 3PY 0.01397 -0.04158 0.00013 -0.14639 -0.01479 69 3PZ 0.00321 -0.00962 0.00074 0.00208 -0.00677 70 4XX 0.00206 -0.00506 0.00024 -0.00708 0.00043 71 4YY -0.00682 0.01180 0.00037 0.00827 0.00046 72 4ZZ 0.00208 -0.00477 -0.00063 -0.00813 0.00082 73 4XY 0.00001 -0.00002 -0.01155 -0.00033 -0.00029 74 4XZ 0.00011 -0.00018 -0.00064 0.00060 -0.00059 75 4YZ 0.00032 -0.00030 -0.00043 0.00007 -0.01048 76 6 C 1S -0.00202 0.00459 0.00180 0.01024 -0.00336 77 2S 0.00420 -0.00918 -0.00337 -0.02612 0.01374 78 2PX -0.00310 0.00431 0.00565 0.00236 -0.00369 79 2PY -0.00914 0.01813 0.00361 0.03528 -0.00754 80 2PZ 0.00490 -0.01663 -0.00160 -0.03068 0.02388 81 3S 0.00385 -0.00945 -0.01292 -0.02808 -0.00623 82 3PX -0.00368 0.00480 -0.00201 0.00942 -0.01452 83 3PY -0.00396 0.00899 0.00015 0.01240 0.02514 84 3PZ 0.00182 -0.00699 0.00415 -0.02231 0.02494 85 4XX 0.00030 -0.00104 -0.00016 -0.00101 0.00235 86 4YY -0.00148 0.00319 0.00054 0.00818 -0.00101 87 4ZZ 0.00048 -0.00116 -0.00018 -0.00392 0.00006 88 4XY -0.00034 0.00074 -0.00001 0.00173 -0.00056 89 4XZ -0.00008 0.00025 -0.00082 0.00099 0.00056 90 4YZ 0.00110 -0.00199 -0.00032 -0.00724 0.00107 91 7 H 1S -0.00090 0.00147 -0.00009 0.00103 -0.00298 92 2S -0.00047 -0.00004 -0.00382 0.00097 0.00410 93 8 H 1S -0.00710 0.01561 0.01137 -0.01106 -0.03375 94 2S -0.00909 0.02150 0.02682 -0.01592 -0.06649 95 9 H 1S 0.01166 -0.02374 -0.00669 0.03133 0.03239 96 2S 0.01409 -0.02636 -0.01508 0.05916 0.06668 97 10 H 1S -0.05307 0.10305 -0.24407 -0.09284 0.06746 98 2S -0.00470 0.02007 -0.21325 -0.07583 0.05572 99 11 H 1S 0.00761 -0.02000 0.02272 -0.02939 -0.00278 100 2S 0.00792 -0.01756 0.04407 -0.05181 -0.00222 101 12 H 1S -0.00717 0.01458 0.00152 0.03618 -0.00434 102 2S -0.00907 0.01876 0.00485 0.06045 -0.01994 103 13 H 1S 0.00840 -0.02009 -0.01885 -0.02735 -0.01614 104 2S 0.01010 -0.02085 -0.03501 -0.05263 -0.02229 105 14 H 1S -0.05287 0.10196 0.18020 -0.08046 0.17922 106 2S -0.00701 0.02105 0.16490 -0.06623 0.15936 107 15 C 1S -0.00065 0.00136 -0.00329 -0.00005 0.00042 108 2S 0.00156 -0.00373 0.00907 -0.00032 -0.00082 109 2PX 0.00189 -0.00416 0.00787 -0.00096 -0.00237 110 2PY 0.00001 0.00040 -0.00185 0.00005 0.00246 111 2PZ 0.00281 -0.00423 0.01834 0.00433 -0.00495 112 3S 0.00356 -0.00478 0.01118 0.00019 -0.00240 113 3PX -0.00052 0.00167 -0.00735 0.00476 -0.00092 114 3PY 0.00086 -0.00110 0.00495 0.00071 0.00067 115 3PZ 0.00190 -0.00207 0.01920 0.00415 -0.00710 116 4XX -0.00032 0.00025 -0.00064 0.00036 0.00001 117 4YY -0.00006 0.00027 -0.00022 0.00026 -0.00012 118 4ZZ 0.00026 -0.00041 0.00038 -0.00035 -0.00005 119 4XY -0.00015 0.00060 -0.00009 -0.00014 -0.00029 120 4XZ -0.00001 0.00004 -0.00050 -0.00006 -0.00002 121 4YZ -0.00031 0.00062 -0.00027 -0.00019 -0.00046 122 16 C 1S -0.00160 0.00237 -0.00275 0.00037 -0.00219 123 2S 0.00232 -0.00724 0.00839 0.00112 0.01167 124 2PX 0.00601 -0.01600 0.01449 -0.00147 0.01969 125 2PY -0.00138 0.00411 -0.00285 0.00184 -0.00129 126 2PZ 0.00522 -0.01807 0.01389 0.00169 0.01865 127 3S 0.00606 -0.00124 0.00166 -0.00813 -0.01872 128 3PX 0.00470 -0.01725 0.02393 -0.00042 0.03174 129 3PY -0.00098 0.01047 -0.00749 -0.00131 -0.02065 130 3PZ 0.00664 -0.00698 0.00779 -0.00013 0.00120 131 4XX -0.00063 0.00056 -0.00092 0.00003 -0.00036 132 4YY 0.00003 -0.00028 0.00017 0.00039 0.00086 133 4ZZ -0.00062 0.00051 -0.00050 0.00048 -0.00154 134 4XY 0.00037 -0.00055 -0.00007 -0.00037 0.00068 135 4XZ -0.00066 0.00101 -0.00114 -0.00007 -0.00209 136 4YZ 0.00023 -0.00046 -0.00049 -0.00025 0.00104 137 17 C 1S -0.00135 0.00331 -0.00010 0.00131 -0.00447 138 2S 0.00251 -0.00446 0.00034 -0.00181 0.00621 139 2PX 0.00749 -0.01643 -0.00554 -0.00836 0.02316 140 2PY 0.00026 -0.00225 -0.00294 -0.00295 -0.00042 141 2PZ 0.00676 -0.01383 -0.00340 -0.00671 0.01780 142 3S 0.00525 -0.02179 0.00052 -0.00380 0.04389 143 3PX 0.00501 -0.00780 -0.01195 -0.01242 0.01016 144 3PY 0.00098 0.00160 -0.00919 -0.00419 -0.00923 145 3PZ 0.00473 -0.01516 -0.00205 -0.00047 0.02307 146 4XX 0.00003 0.00002 0.00010 -0.00020 -0.00037 147 4YY -0.00008 0.00002 0.00039 0.00053 0.00052 148 4ZZ -0.00049 0.00104 -0.00049 0.00051 -0.00123 149 4XY -0.00020 0.00069 -0.00069 -0.00008 -0.00080 150 4XZ 0.00000 0.00019 -0.00064 -0.00001 -0.00047 151 4YZ -0.00011 0.00086 -0.00045 -0.00028 -0.00108 152 18 H 1S 0.00270 -0.00473 0.00805 -0.00102 -0.00060 153 2S -0.00010 -0.00130 -0.01068 -0.00203 0.00672 154 19 H 1S 0.00046 0.00109 -0.00160 -0.00109 -0.00103 155 2S 0.00048 0.00573 -0.00505 0.00098 -0.00802 156 20 H 1S -0.00132 0.00099 0.00111 0.00171 -0.00124 157 2S -0.00232 0.00125 0.00626 0.00757 -0.00090 158 21 H 1S -0.00148 0.00243 -0.00373 0.00104 0.00045 159 2S -0.00291 0.00563 -0.00934 0.00523 -0.00186 160 22 O 1S 0.00035 -0.00090 0.00001 -0.00021 0.00074 161 2S -0.00036 0.00121 -0.00059 0.00149 -0.00001 162 2PX -0.00404 0.00893 0.00209 -0.00085 -0.00992 163 2PY -0.00108 0.00204 -0.00350 0.00314 -0.00004 164 2PZ -0.00486 0.01105 -0.00419 0.00132 -0.00777 165 3S -0.00302 0.00783 0.00134 -0.00365 -0.01230 166 3PX -0.00391 0.00955 0.00212 -0.00073 -0.01197 167 3PY -0.00036 0.00118 -0.00403 0.00359 0.00176 168 3PZ -0.00479 0.00936 -0.00350 0.00254 -0.00680 169 4XX 0.00039 -0.00038 -0.00086 0.00007 0.00102 170 4YY 0.00020 -0.00039 0.00015 0.00010 0.00069 171 4ZZ 0.00013 0.00006 0.00014 0.00042 -0.00005 172 4XY 0.00012 -0.00032 -0.00017 -0.00007 0.00049 173 4XZ 0.00004 -0.00003 -0.00017 -0.00007 0.00004 174 4YZ 0.00012 -0.00006 -0.00007 -0.00019 -0.00002 175 23 O 1S -0.00056 0.00099 -0.00448 -0.00124 -0.00165 176 2S 0.00228 -0.00252 0.00961 0.00340 0.00099 177 2PX 0.00379 -0.01217 0.01822 0.00615 0.00593 178 2PY -0.00114 -0.00118 -0.00506 -0.00451 0.00074 179 2PZ 0.00311 -0.00877 0.02212 0.00845 -0.00282 180 3S -0.00116 -0.00488 0.02702 0.00435 0.01800 181 3PX 0.00096 -0.00699 0.01209 0.00447 0.00653 182 3PY -0.00086 -0.00248 0.00199 -0.00335 0.00534 183 3PZ 0.00116 -0.00346 0.01267 0.00584 -0.00685 184 4XX 0.00046 -0.00072 0.00018 0.00039 0.00000 185 4YY 0.00040 -0.00042 0.00023 -0.00003 -0.00064 186 4ZZ 0.00021 0.00056 -0.00142 -0.00010 -0.00159 187 4XY 0.00008 -0.00060 0.00078 0.00045 0.00066 188 4XZ -0.00030 0.00048 -0.00179 -0.00033 -0.00045 189 4YZ 0.00031 -0.00067 0.00146 0.00046 -0.00005 51 52 53 54 55 51 3S 0.30210 52 3PX 0.00137 0.08585 53 3PY 0.00728 0.00186 0.08588 54 3PZ -0.00699 -0.00655 -0.00766 0.09074 55 4XX -0.00035 -0.00492 -0.00456 0.00529 0.00114 56 4YY -0.00513 -0.00020 0.00601 -0.00086 -0.00033 57 4ZZ -0.00015 0.00477 -0.00318 -0.00238 -0.00017 58 4XY 0.00117 -0.00724 0.00004 0.00023 0.00040 59 4XZ 0.00235 0.00665 -0.00025 0.00508 -0.00023 60 4YZ -0.00250 0.00016 0.00092 -0.00612 -0.00042 61 5 C 1S 0.00627 -0.00051 -0.01397 0.00321 0.00206 62 2S 0.00956 0.00149 0.04158 -0.00962 -0.00506 63 2PX -0.00446 -0.00514 -0.00013 0.00074 0.00024 64 2PY -0.12580 0.00285 -0.14639 -0.00208 0.00708 65 2PZ -0.00424 0.00109 0.01479 -0.00677 0.00043 66 3S -0.03255 -0.00252 0.03364 -0.00816 -0.00420 67 3PX -0.00252 -0.00533 -0.00180 0.00276 0.00048 68 3PY -0.03364 0.00180 -0.06475 -0.00906 0.00296 69 3PZ -0.00816 0.00276 0.00906 -0.00863 -0.00045 70 4XX -0.00420 0.00048 -0.00296 -0.00045 0.00013 71 4YY 0.01297 0.00018 0.00461 0.00072 -0.00014 72 4ZZ -0.00656 -0.00073 -0.00444 0.00072 0.00028 73 4XY 0.00016 -0.00535 0.00021 0.00024 0.00031 74 4XZ -0.00163 -0.00063 0.00052 -0.00016 0.00004 75 4YZ -0.00038 -0.00012 0.00009 -0.00526 -0.00030 76 6 C 1S -0.00082 -0.00044 0.00685 0.00016 -0.00043 77 2S -0.01381 -0.00408 -0.01928 0.00716 0.00105 78 2PX 0.04768 0.00897 0.00923 -0.01326 -0.00160 79 2PY 0.07649 0.00860 0.05188 -0.00332 -0.00085 80 2PZ 0.00218 0.00185 -0.01857 0.01589 -0.00003 81 3S -0.01020 -0.00771 -0.01837 -0.00339 0.00059 82 3PX 0.04237 0.00407 0.01155 -0.01371 -0.00185 83 3PY 0.02365 0.00201 0.01565 0.01143 0.00079 84 3PZ 0.01384 0.00494 -0.00894 0.01345 -0.00002 85 4XX -0.00084 -0.00010 -0.00038 0.00078 0.00012 86 4YY 0.00541 0.00059 0.00566 0.00002 -0.00023 87 4ZZ -0.00338 -0.00022 -0.00313 -0.00023 0.00006 88 4XY 0.00077 -0.00018 0.00045 -0.00014 -0.00006 89 4XZ 0.00033 -0.00058 0.00110 0.00060 0.00005 90 4YZ -0.00250 -0.00018 -0.00318 0.00055 0.00021 91 7 H 1S 0.00354 -0.00130 -0.00023 -0.00070 0.00044 92 2S -0.00168 -0.00383 -0.00067 0.00421 0.00114 93 8 H 1S 0.04177 0.00463 -0.01304 -0.02991 -0.00119 94 2S 0.05147 0.01221 -0.01570 -0.04622 -0.00276 95 9 H 1S -0.06427 -0.00613 0.00754 0.02545 -0.00156 96 2S -0.06879 -0.00962 0.01769 0.03802 -0.00043 97 10 H 1S 0.08095 -0.11188 -0.04140 0.03911 0.01149 98 2S -0.00681 -0.09433 -0.02999 0.02563 0.01044 99 11 H 1S -0.01940 0.01473 -0.01811 -0.00845 -0.00095 100 2S -0.00379 0.02328 -0.02464 -0.00581 -0.00070 101 12 H 1S 0.04598 0.00396 0.03698 -0.00019 -0.00081 102 2S 0.05206 0.00611 0.04915 -0.00658 -0.00228 103 13 H 1S -0.03336 -0.00937 -0.01271 -0.01225 0.00039 104 2S -0.03229 -0.01823 -0.02122 -0.01141 0.00189 105 14 H 1S 0.09108 0.07905 -0.04180 0.08297 0.00242 106 2S 0.01901 0.07320 -0.03400 0.07123 0.00130 107 15 C 1S 0.00215 -0.00092 -0.00061 -0.00086 -0.00002 108 2S -0.00212 0.00274 0.00100 0.00004 -0.00013 109 2PX -0.00323 0.00253 0.00028 0.00164 0.00008 110 2PY -0.00569 -0.00021 -0.00102 0.00025 0.00010 111 2PZ -0.01752 0.00968 0.00548 0.00069 -0.00011 112 3S -0.00295 0.00371 0.00052 0.00040 -0.00031 113 3PX 0.00222 -0.00300 0.00296 -0.00092 0.00023 114 3PY -0.00041 -0.00015 -0.00061 0.00171 -0.00022 115 3PZ -0.00572 0.01056 0.00459 -0.00645 -0.00043 116 4XX 0.00118 0.00002 0.00041 -0.00132 0.00004 117 4YY -0.00037 0.00006 0.00036 -0.00059 -0.00002 118 4ZZ -0.00068 -0.00030 -0.00068 0.00184 -0.00001 119 4XY 0.00087 -0.00002 -0.00095 0.00079 -0.00006 120 4XZ -0.00079 -0.00006 0.00017 -0.00014 0.00002 121 4YZ 0.00190 -0.00109 -0.00100 0.00153 -0.00005 122 16 C 1S 0.00255 -0.00447 0.00152 -0.00311 -0.00041 123 2S -0.00748 0.00430 0.00070 0.00600 0.00046 124 2PX -0.01136 0.01166 0.00823 0.00175 -0.00106 125 2PY -0.00173 -0.00523 0.00237 0.00096 -0.00006 126 2PZ -0.00088 -0.00415 0.00976 0.00681 -0.00135 127 3S 0.00821 0.00073 -0.00022 -0.00599 0.00009 128 3PX -0.00614 0.01151 0.00630 0.01038 -0.00074 129 3PY 0.01294 -0.00524 -0.00020 -0.00827 -0.00012 130 3PZ 0.00619 0.00038 0.00482 -0.00124 -0.00115 131 4XX 0.00265 -0.00163 -0.00103 0.00221 -0.00015 132 4YY -0.00173 0.00055 0.00030 -0.00003 0.00004 133 4ZZ 0.00031 0.00056 0.00096 -0.00250 0.00005 134 4XY -0.00252 -0.00074 -0.00040 0.00078 0.00009 135 4XZ 0.00127 -0.00019 -0.00011 -0.00054 -0.00012 136 4YZ -0.00140 -0.00029 -0.00086 0.00121 0.00013 137 17 C 1S 0.00485 0.00199 -0.00085 -0.00127 -0.00017 138 2S -0.00903 -0.00102 0.00100 0.00195 0.00043 139 2PX -0.04191 -0.01623 -0.00751 0.01813 0.00142 140 2PY 0.00883 -0.00246 -0.00146 -0.00012 -0.00011 141 2PZ -0.03612 -0.00601 -0.01048 0.01475 0.00136 142 3S -0.04200 -0.00318 -0.00214 0.02033 0.00139 143 3PX -0.02839 -0.01262 -0.00969 0.00941 0.00147 144 3PY 0.00535 -0.00702 -0.00077 -0.00151 0.00037 145 3PZ -0.03138 -0.00618 -0.00395 0.01530 0.00129 146 4XX -0.00109 0.00048 -0.00025 -0.00021 0.00000 147 4YY 0.00032 -0.00016 0.00050 0.00046 0.00000 148 4ZZ 0.00204 -0.00013 0.00008 -0.00077 -0.00004 149 4XY 0.00000 -0.00060 -0.00040 -0.00015 0.00007 150 4XZ -0.00124 -0.00079 -0.00020 0.00018 0.00003 151 4YZ -0.00020 0.00027 -0.00075 -0.00029 0.00007 152 18 H 1S -0.01211 0.00231 0.00034 0.00659 0.00011 153 2S -0.00943 -0.00805 -0.00285 0.01558 0.00053 154 19 H 1S -0.00629 0.00653 -0.00366 -0.00270 0.00098 155 2S -0.00090 0.00371 -0.00287 -0.00756 0.00068 156 20 H 1S 0.01424 -0.00070 0.00473 -0.00305 -0.00050 157 2S 0.01824 0.00230 0.00674 -0.00338 -0.00091 158 21 H 1S 0.00559 -0.00050 0.00113 -0.00515 0.00001 159 2S 0.00913 -0.00122 0.00426 -0.01008 0.00014 160 22 O 1S -0.00140 -0.00066 -0.00032 0.00120 0.00004 161 2S 0.00520 0.00116 0.00170 -0.00313 -0.00018 162 2PX 0.02578 0.00457 -0.00796 -0.00206 -0.00035 163 2PY 0.00375 -0.01138 0.00147 0.00662 0.00002 164 2PZ 0.01643 -0.00984 -0.00790 0.00188 -0.00015 165 3S 0.00764 0.00274 -0.00054 -0.01043 -0.00035 166 3PX 0.02367 0.00319 -0.00614 -0.00363 -0.00055 167 3PY 0.00329 -0.00886 0.00121 0.00583 0.00000 168 3PZ 0.01702 -0.00549 -0.00421 -0.00022 -0.00026 169 4XX -0.00092 -0.00070 -0.00017 0.00061 0.00007 170 4YY -0.00005 0.00042 0.00011 0.00010 0.00001 171 4ZZ 0.00064 0.00017 0.00046 0.00006 -0.00005 172 4XY -0.00066 -0.00030 0.00028 0.00015 0.00001 173 4XZ -0.00026 -0.00021 -0.00025 0.00019 0.00001 174 4YZ -0.00011 0.00039 0.00016 -0.00026 0.00000 175 23 O 1S 0.00837 -0.00231 -0.00265 0.00095 0.00014 176 2S -0.01856 0.00416 0.00504 -0.00118 -0.00029 177 2PX -0.01251 0.01346 0.01906 -0.02776 0.00093 178 2PY 0.03111 -0.01810 -0.00894 0.01363 0.00024 179 2PZ -0.02064 0.03044 0.03008 -0.04821 0.00025 180 3S -0.02749 0.01421 0.00734 0.00314 -0.00059 181 3PX -0.00875 0.01047 0.01351 -0.01961 0.00078 182 3PY 0.01881 -0.00959 -0.00611 0.01099 0.00013 183 3PZ -0.01345 0.01985 0.02006 -0.03601 0.00032 184 4XX -0.00045 0.00034 0.00079 -0.00089 -0.00003 185 4YY 0.00149 -0.00081 -0.00051 0.00054 -0.00002 186 4ZZ -0.00030 -0.00048 -0.00047 -0.00017 0.00005 187 4XY -0.00034 0.00029 0.00084 -0.00070 0.00005 188 4XZ 0.00070 -0.00073 0.00010 -0.00054 0.00003 189 4YZ -0.00142 0.00148 0.00139 -0.00194 0.00000 56 57 58 59 60 56 4YY 0.00121 57 4ZZ -0.00033 0.00105 58 4XY -0.00003 -0.00038 0.00096 59 4XZ -0.00007 0.00033 -0.00054 0.00130 60 4YZ 0.00025 0.00018 -0.00004 -0.00042 0.00091 61 5 C 1S -0.00682 0.00208 -0.00001 0.00011 -0.00032 62 2S 0.01180 -0.00477 0.00002 -0.00018 0.00030 63 2PX 0.00037 -0.00063 0.01155 -0.00064 0.00043 64 2PY -0.00827 0.00813 -0.00033 -0.00060 0.00007 65 2PZ 0.00046 0.00082 0.00029 -0.00059 0.01048 66 3S 0.01297 -0.00656 -0.00016 -0.00163 0.00039 67 3PX 0.00018 -0.00073 0.00535 -0.00063 0.00012 68 3PY -0.00461 0.00444 0.00021 -0.00052 0.00009 69 3PZ 0.00072 0.00072 -0.00024 -0.00016 0.00526 70 4XX -0.00014 0.00028 -0.00031 0.00004 0.00030 71 4YY -0.00006 -0.00018 0.00002 0.00013 -0.00010 72 4ZZ -0.00018 0.00010 0.00028 -0.00008 -0.00016 73 4XY -0.00002 -0.00028 0.00089 -0.00042 0.00003 74 4XZ 0.00013 -0.00008 0.00042 -0.00011 0.00036 75 4YZ 0.00010 0.00016 0.00003 -0.00036 0.00065 76 6 C 1S -0.00057 0.00018 -0.00034 0.00007 0.00151 77 2S 0.00088 -0.00091 0.00060 -0.00012 -0.00341 78 2PX -0.00257 0.00295 0.00054 0.00227 0.00257 79 2PY -0.00192 0.00150 -0.00070 0.00068 0.00453 80 2PZ 0.00053 0.00092 0.00295 0.00232 -0.00723 81 3S 0.00051 -0.00049 0.00114 0.00027 -0.00211 82 3PX -0.00138 0.00227 0.00075 0.00192 0.00124 83 3PY -0.00036 -0.00067 -0.00018 0.00021 0.00038 84 3PZ -0.00117 0.00161 0.00084 0.00237 -0.00342 85 4XX -0.00021 0.00010 -0.00020 0.00014 0.00004 86 4YY 0.00009 -0.00009 -0.00003 0.00003 0.00020 87 4ZZ 0.00022 -0.00005 0.00017 -0.00008 -0.00002 88 4XY 0.00008 -0.00001 -0.00002 0.00002 -0.00012 89 4XZ -0.00008 -0.00003 0.00028 0.00001 0.00009 90 4YZ -0.00034 0.00021 -0.00007 0.00004 0.00018 91 7 H 1S -0.00008 0.00018 0.00020 -0.00062 -0.00110 92 2S -0.00033 -0.00007 0.00069 -0.00148 -0.00253 93 8 H 1S 0.00007 -0.00017 -0.00039 0.00149 0.00084 94 2S -0.00017 0.00099 -0.00092 0.00196 0.00199 95 9 H 1S 0.00650 -0.00183 -0.00121 0.00093 0.00478 96 2S 0.00718 -0.00457 -0.00058 0.00158 0.00206 97 10 H 1S -0.00486 -0.00663 0.01023 -0.00741 -0.00360 98 2S -0.00282 -0.00648 0.00917 -0.00855 -0.00244 99 11 H 1S 0.00174 0.00161 -0.00762 0.00092 0.00178 100 2S -0.00149 0.00325 -0.00741 0.00198 0.00143 101 12 H 1S -0.00011 -0.00001 -0.00029 0.00020 0.00198 102 2S 0.00023 0.00044 -0.00036 0.00043 0.00306 103 13 H 1S 0.00276 -0.00025 0.00568 -0.00207 0.00549 104 2S -0.00032 0.00040 0.00580 -0.00284 0.00499 105 14 H 1S -0.00576 0.00364 -0.00695 0.01312 -0.00751 106 2S -0.00434 0.00446 -0.00698 0.01252 -0.00651 107 15 C 1S 0.00007 -0.00007 0.00013 -0.00031 0.00004 108 2S -0.00026 0.00031 -0.00022 0.00060 -0.00002 109 2PX -0.00029 0.00045 -0.00040 0.00058 -0.00003 110 2PY -0.00006 -0.00004 0.00023 -0.00013 -0.00015 111 2PZ 0.00016 0.00025 -0.00062 0.00055 0.00015 112 3S -0.00036 0.00070 -0.00022 0.00098 -0.00006 113 3PX 0.00004 -0.00033 -0.00002 -0.00021 0.00001 114 3PY -0.00001 0.00011 -0.00030 0.00028 -0.00003 115 3PZ 0.00024 -0.00014 -0.00032 0.00007 0.00027 116 4XX 0.00000 -0.00014 0.00004 -0.00008 0.00003 117 4YY 0.00003 -0.00003 0.00002 -0.00005 0.00002 118 4ZZ -0.00002 0.00014 -0.00004 0.00010 -0.00005 119 4XY -0.00003 0.00009 0.00003 0.00001 0.00001 120 4XZ 0.00000 -0.00001 0.00000 -0.00002 0.00000 121 4YZ -0.00004 0.00005 0.00003 0.00002 0.00002 122 16 C 1S 0.00002 -0.00071 0.00011 -0.00080 0.00005 123 2S -0.00044 0.00039 -0.00043 0.00161 -0.00026 124 2PX -0.00241 0.00460 -0.00026 0.00571 -0.00064 125 2PY 0.00090 -0.00118 -0.00006 -0.00109 0.00024 126 2PZ -0.00246 0.00367 -0.00017 0.00603 -0.00063 127 3S -0.00193 0.00176 -0.00003 0.00100 0.00124 128 3PX -0.00187 0.00344 -0.00086 0.00534 -0.00131 129 3PY 0.00015 -0.00076 0.00052 -0.00189 0.00081 130 3PZ -0.00175 0.00268 -0.00002 0.00366 0.00021 131 4XX -0.00006 0.00024 0.00009 0.00014 -0.00006 132 4YY 0.00009 -0.00008 -0.00002 -0.00004 0.00002 133 4ZZ 0.00005 -0.00017 0.00000 -0.00017 0.00005 134 4XY -0.00006 -0.00003 0.00001 0.00001 -0.00004 135 4XZ -0.00001 0.00016 0.00005 -0.00002 0.00003 136 4YZ -0.00004 0.00000 0.00000 -0.00001 -0.00004 137 17 C 1S 0.00005 0.00010 0.00010 -0.00018 0.00019 138 2S -0.00014 -0.00004 0.00004 0.00024 0.00007 139 2PX -0.00112 0.00045 0.00026 0.00165 -0.00050 140 2PY -0.00098 0.00111 0.00047 0.00062 -0.00021 141 2PZ -0.00090 0.00048 0.00017 0.00135 -0.00023 142 3S 0.00026 -0.00033 -0.00040 0.00187 -0.00164 143 3PX -0.00079 -0.00014 0.00082 0.00007 0.00037 144 3PY -0.00090 0.00036 0.00055 -0.00044 0.00061 145 3PZ -0.00035 -0.00008 -0.00005 0.00093 -0.00080 146 4XX 0.00006 0.00003 -0.00005 -0.00004 -0.00002 147 4YY -0.00001 -0.00001 -0.00002 0.00006 0.00002 148 4ZZ -0.00001 -0.00004 0.00004 -0.00010 0.00001 149 4XY 0.00012 -0.00024 0.00000 -0.00029 0.00005 150 4XZ 0.00006 -0.00009 -0.00003 -0.00008 -0.00005 151 4YZ 0.00013 -0.00020 0.00001 -0.00030 0.00005 152 18 H 1S -0.00020 0.00062 -0.00045 0.00073 -0.00012 153 2S -0.00023 0.00073 -0.00022 0.00062 -0.00042 154 19 H 1S 0.00039 -0.00090 -0.00011 -0.00130 0.00010 155 2S 0.00064 -0.00135 0.00020 -0.00175 0.00041 156 20 H 1S -0.00037 0.00053 0.00014 0.00044 -0.00009 157 2S -0.00020 0.00066 -0.00005 0.00083 -0.00029 158 21 H 1S 0.00012 -0.00060 0.00026 -0.00048 0.00011 159 2S 0.00038 -0.00132 0.00035 -0.00118 0.00027 160 22 O 1S -0.00004 -0.00007 -0.00020 0.00011 -0.00014 161 2S 0.00000 0.00014 0.00047 -0.00016 0.00015 162 2PX -0.00056 -0.00002 0.00080 -0.00059 0.00081 163 2PY 0.00024 -0.00066 0.00022 -0.00033 0.00016 164 2PZ -0.00030 -0.00126 0.00112 -0.00133 0.00077 165 3S 0.00020 -0.00016 0.00093 -0.00111 0.00109 166 3PX -0.00032 0.00000 0.00060 -0.00060 0.00079 167 3PY 0.00020 -0.00047 0.00006 -0.00009 -0.00008 168 3PZ -0.00007 -0.00093 0.00079 -0.00109 0.00050 169 4XX -0.00005 -0.00002 0.00004 0.00003 -0.00003 170 4YY -0.00003 0.00003 0.00000 0.00006 -0.00005 171 4ZZ 0.00001 0.00004 -0.00004 0.00004 -0.00005 172 4XY 0.00001 0.00001 -0.00002 0.00002 -0.00005 173 4XZ 0.00001 -0.00001 -0.00005 -0.00001 -0.00001 174 4YZ 0.00005 0.00000 -0.00005 -0.00002 -0.00001 175 23 O 1S -0.00007 0.00013 0.00014 -0.00013 0.00001 176 2S 0.00012 -0.00040 -0.00034 0.00031 0.00010 177 2PX 0.00022 -0.00224 -0.00076 0.00009 0.00011 178 2PY -0.00054 -0.00010 0.00014 0.00041 -0.00023 179 2PZ 0.00078 -0.00182 -0.00109 -0.00039 0.00069 180 3S 0.00044 -0.00016 -0.00080 0.00116 -0.00073 181 3PX 0.00045 -0.00192 -0.00051 -0.00034 -0.00011 182 3PY -0.00037 0.00007 -0.00004 0.00063 -0.00034 183 3PZ 0.00083 -0.00189 -0.00072 -0.00109 0.00072 184 4XX -0.00008 0.00010 -0.00001 0.00016 0.00002 185 4YY -0.00001 0.00000 -0.00003 0.00000 0.00004 186 4ZZ 0.00006 -0.00010 0.00003 -0.00024 0.00005 187 4XY 0.00001 -0.00010 -0.00004 0.00003 -0.00002 188 4XZ -0.00002 -0.00001 0.00007 -0.00005 0.00001 189 4YZ -0.00001 -0.00001 -0.00006 0.00007 0.00002 61 62 63 64 65 61 5 C 1S 2.05092 62 2S -0.05341 0.30682 63 2PX 0.00090 -0.00094 0.41187 64 2PY -0.00199 0.00122 -0.00499 0.38124 65 2PZ -0.00339 0.00249 0.00313 0.00574 0.38896 66 3S -0.18586 0.27976 0.00647 -0.00793 -0.02478 67 3PX 0.00226 -0.00385 0.18596 -0.00355 -0.00071 68 3PY 0.00044 0.00253 0.00076 0.17352 0.00966 69 3PZ -0.00163 0.00937 -0.00745 0.00608 0.17987 70 4XX -0.01787 0.00019 -0.01072 0.01029 0.01115 71 4YY -0.01551 -0.00514 -0.00056 -0.01508 -0.00103 72 4ZZ -0.01630 -0.00351 0.01053 0.00819 -0.00580 73 4XY 0.00056 -0.00106 0.01582 -0.00029 0.00039 74 4XZ -0.00050 0.00110 0.01494 -0.00053 0.01187 75 4YZ -0.00140 0.00268 -0.00003 0.00068 0.01284 76 6 C 1S 0.01252 -0.02336 -0.01709 -0.02349 0.06432 77 2S -0.02297 0.03914 0.03374 0.04867 -0.13740 78 2PX 0.02144 -0.04300 0.00049 -0.02057 0.10109 79 2PY 0.02956 -0.05547 -0.02749 -0.03155 0.12206 80 2PZ -0.05185 0.10796 0.08302 0.11039 -0.23452 81 3S -0.00158 0.01520 0.03857 0.03620 -0.11064 82 3PX 0.00447 -0.01064 0.00011 -0.00743 0.03885 83 3PY 0.00707 -0.01664 -0.00297 -0.01297 0.01883 84 3PZ -0.00574 0.02430 0.01550 0.05084 -0.09077 85 4XX 0.00165 -0.00383 -0.00730 -0.00065 0.00545 86 4YY 0.00168 -0.00346 -0.00096 -0.00950 0.00364 87 4ZZ -0.00512 0.00885 0.00570 0.00773 0.00068 88 4XY -0.00133 0.00249 -0.00081 -0.00065 -0.00406 89 4XZ 0.00200 -0.00368 0.00911 -0.00272 0.00359 90 4YZ 0.00340 -0.00664 -0.00319 0.00439 0.00854 91 7 H 1S -0.00710 0.01561 0.01137 0.01106 -0.03375 92 2S -0.00909 0.02150 0.02682 0.01593 -0.06649 93 8 H 1S -0.00090 0.00147 -0.00009 -0.00103 -0.00298 94 2S -0.00047 -0.00004 -0.00382 -0.00098 0.00410 95 9 H 1S -0.00717 0.01458 0.00152 -0.03618 -0.00435 96 2S -0.00907 0.01876 0.00485 -0.06045 -0.01994 97 10 H 1S 0.00761 -0.02000 0.02272 0.02939 -0.00278 98 2S 0.00792 -0.01756 0.04407 0.05181 -0.00222 99 11 H 1S -0.05307 0.10305 -0.24407 0.09284 0.06747 100 2S -0.00470 0.02007 -0.21325 0.07583 0.05572 101 12 H 1S 0.01166 -0.02374 -0.00669 -0.03133 0.03239 102 2S 0.01409 -0.02635 -0.01508 -0.05916 0.06668 103 13 H 1S -0.05287 0.10196 0.18021 0.08046 0.17922 104 2S -0.00700 0.02105 0.16490 0.06622 0.15936 105 14 H 1S 0.00840 -0.02009 -0.01884 0.02735 -0.01614 106 2S 0.01010 -0.02085 -0.03501 0.05263 -0.02229 107 15 C 1S -0.00065 0.00136 -0.00329 0.00005 0.00042 108 2S 0.00156 -0.00373 0.00907 0.00032 -0.00083 109 2PX 0.00189 -0.00416 0.00787 0.00096 -0.00237 110 2PY -0.00001 -0.00040 0.00185 0.00005 -0.00246 111 2PZ 0.00281 -0.00423 0.01834 -0.00433 -0.00495 112 3S 0.00356 -0.00478 0.01118 -0.00019 -0.00240 113 3PX -0.00052 0.00167 -0.00735 -0.00476 -0.00092 114 3PY -0.00086 0.00110 -0.00496 0.00071 -0.00067 115 3PZ 0.00190 -0.00207 0.01920 -0.00415 -0.00710 116 4XX -0.00032 0.00025 -0.00064 -0.00036 0.00001 117 4YY -0.00006 0.00027 -0.00022 -0.00026 -0.00012 118 4ZZ 0.00026 -0.00041 0.00038 0.00035 -0.00005 119 4XY 0.00015 -0.00060 0.00009 -0.00014 0.00029 120 4XZ -0.00001 0.00004 -0.00050 0.00006 -0.00002 121 4YZ 0.00031 -0.00062 0.00027 -0.00019 0.00046 122 16 C 1S -0.00135 0.00331 -0.00010 -0.00131 -0.00447 123 2S 0.00251 -0.00446 0.00034 0.00181 0.00621 124 2PX 0.00749 -0.01643 -0.00554 0.00836 0.02316 125 2PY -0.00026 0.00225 0.00294 -0.00295 0.00042 126 2PZ 0.00676 -0.01383 -0.00340 0.00670 0.01780 127 3S 0.00525 -0.02179 0.00052 0.00380 0.04389 128 3PX 0.00501 -0.00780 -0.01195 0.01242 0.01016 129 3PY -0.00098 -0.00160 0.00919 -0.00419 0.00923 130 3PZ 0.00473 -0.01516 -0.00205 0.00047 0.02307 131 4XX 0.00003 0.00002 0.00010 0.00020 -0.00037 132 4YY -0.00008 0.00002 0.00039 -0.00053 0.00052 133 4ZZ -0.00049 0.00104 -0.00049 -0.00051 -0.00123 134 4XY 0.00020 -0.00069 0.00069 -0.00008 0.00080 135 4XZ 0.00000 0.00019 -0.00064 0.00001 -0.00047 136 4YZ 0.00011 -0.00086 0.00045 -0.00028 0.00108 137 17 C 1S -0.00160 0.00237 -0.00275 -0.00037 -0.00219 138 2S 0.00232 -0.00724 0.00839 -0.00112 0.01167 139 2PX 0.00601 -0.01600 0.01449 0.00147 0.01969 140 2PY 0.00138 -0.00410 0.00285 0.00184 0.00129 141 2PZ 0.00522 -0.01807 0.01389 -0.00169 0.01865 142 3S 0.00606 -0.00124 0.00166 0.00813 -0.01872 143 3PX 0.00470 -0.01725 0.02393 0.00042 0.03174 144 3PY 0.00098 -0.01047 0.00749 -0.00131 0.02065 145 3PZ 0.00664 -0.00698 0.00779 0.00013 0.00120 146 4XX -0.00063 0.00056 -0.00092 -0.00003 -0.00036 147 4YY 0.00003 -0.00028 0.00017 -0.00039 0.00086 148 4ZZ -0.00062 0.00051 -0.00050 -0.00048 -0.00154 149 4XY -0.00037 0.00055 0.00007 -0.00037 -0.00068 150 4XZ -0.00066 0.00101 -0.00114 0.00007 -0.00209 151 4YZ -0.00023 0.00046 0.00049 -0.00025 -0.00104 152 18 H 1S 0.00270 -0.00473 0.00805 0.00102 -0.00060 153 2S -0.00010 -0.00130 -0.01067 0.00203 0.00672 154 19 H 1S -0.00132 0.00099 0.00111 -0.00171 -0.00124 155 2S -0.00232 0.00125 0.00626 -0.00757 -0.00090 156 20 H 1S 0.00046 0.00109 -0.00160 0.00109 -0.00103 157 2S 0.00048 0.00573 -0.00505 -0.00098 -0.00802 158 21 H 1S -0.00148 0.00243 -0.00373 -0.00104 0.00045 159 2S -0.00291 0.00564 -0.00934 -0.00523 -0.00186 160 22 O 1S -0.00056 0.00099 -0.00448 0.00124 -0.00165 161 2S 0.00228 -0.00252 0.00961 -0.00340 0.00099 162 2PX 0.00379 -0.01216 0.01822 -0.00615 0.00593 163 2PY 0.00114 0.00118 0.00506 -0.00451 -0.00074 164 2PZ 0.00311 -0.00877 0.02212 -0.00845 -0.00282 165 3S -0.00116 -0.00488 0.02702 -0.00435 0.01800 166 3PX 0.00096 -0.00699 0.01209 -0.00447 0.00653 167 3PY 0.00086 0.00248 -0.00199 -0.00334 -0.00534 168 3PZ 0.00116 -0.00346 0.01267 -0.00584 -0.00685 169 4XX 0.00046 -0.00072 0.00018 -0.00039 0.00000 170 4YY 0.00040 -0.00042 0.00023 0.00003 -0.00064 171 4ZZ 0.00021 0.00056 -0.00142 0.00010 -0.00159 172 4XY -0.00008 0.00060 -0.00078 0.00045 -0.00066 173 4XZ -0.00030 0.00048 -0.00179 0.00033 -0.00045 174 4YZ -0.00031 0.00067 -0.00146 0.00046 0.00005 175 23 O 1S 0.00035 -0.00090 0.00001 0.00021 0.00074 176 2S -0.00036 0.00121 -0.00059 -0.00149 -0.00001 177 2PX -0.00404 0.00893 0.00209 0.00085 -0.00992 178 2PY 0.00108 -0.00204 0.00350 0.00314 0.00004 179 2PZ -0.00486 0.01105 -0.00419 -0.00132 -0.00777 180 3S -0.00302 0.00783 0.00134 0.00365 -0.01230 181 3PX -0.00391 0.00955 0.00212 0.00074 -0.01197 182 3PY 0.00036 -0.00118 0.00402 0.00359 -0.00176 183 3PZ -0.00479 0.00936 -0.00350 -0.00254 -0.00680 184 4XX 0.00039 -0.00038 -0.00086 -0.00007 0.00102 185 4YY 0.00020 -0.00039 0.00015 -0.00010 0.00069 186 4ZZ 0.00013 0.00006 0.00014 -0.00042 -0.00005 187 4XY -0.00012 0.00032 0.00017 -0.00007 -0.00049 188 4XZ 0.00004 -0.00003 -0.00017 0.00007 0.00004 189 4YZ -0.00012 0.00006 0.00007 -0.00019 0.00002 66 67 68 69 70 66 3S 0.30210 67 3PX 0.00137 0.08585 68 3PY -0.00728 -0.00186 0.08588 69 3PZ -0.00699 -0.00655 0.00766 0.09074 70 4XX -0.00035 -0.00492 0.00456 0.00529 0.00114 71 4YY -0.00513 -0.00020 -0.00601 -0.00086 -0.00033 72 4ZZ -0.00015 0.00477 0.00318 -0.00238 -0.00017 73 4XY -0.00117 0.00724 0.00004 -0.00023 -0.00040 74 4XZ 0.00235 0.00665 0.00025 0.00508 -0.00023 75 4YZ 0.00250 -0.00016 0.00092 0.00612 0.00042 76 6 C 1S 0.00258 -0.00271 -0.00571 0.01309 0.00197 77 2S 0.02396 0.01329 0.01147 -0.04402 -0.00450 78 2PX -0.09360 -0.00003 -0.01358 0.04351 0.00736 79 2PY -0.11181 -0.01604 0.00261 0.05774 0.00167 80 2PZ 0.08684 0.03736 0.05338 -0.11715 -0.00375 81 3S 0.00025 0.01153 0.00988 -0.02320 -0.00464 82 3PX -0.04852 -0.00165 -0.00132 0.01622 0.00411 83 3PY -0.02853 0.00036 -0.00475 0.00275 -0.00008 84 3PZ -0.00064 0.00755 0.02377 -0.04787 0.00010 85 4XX -0.00365 -0.00317 -0.00081 0.00129 0.00055 86 4YY -0.00684 -0.00064 -0.00362 0.00256 -0.00029 87 4ZZ 0.01172 0.00266 0.00391 -0.00033 0.00004 88 4XY 0.00382 -0.00044 0.00012 -0.00239 -0.00017 89 4XZ -0.00373 0.00421 -0.00107 0.00117 -0.00027 90 4YZ -0.00655 -0.00139 0.00182 0.00426 0.00039 91 7 H 1S 0.04176 0.00463 0.01304 -0.02990 -0.00119 92 2S 0.05147 0.01221 0.01570 -0.04622 -0.00276 93 8 H 1S 0.00354 -0.00130 0.00023 -0.00070 0.00044 94 2S -0.00168 -0.00383 0.00067 0.00421 0.00114 95 9 H 1S 0.04598 0.00396 -0.03698 -0.00019 -0.00081 96 2S 0.05206 0.00610 -0.04915 -0.00658 -0.00228 97 10 H 1S -0.01940 0.01473 0.01811 -0.00845 -0.00095 98 2S -0.00379 0.02328 0.02464 -0.00581 -0.00070 99 11 H 1S 0.08095 -0.11188 0.04140 0.03912 0.01149 100 2S -0.00680 -0.09433 0.02999 0.02563 0.01044 101 12 H 1S -0.06426 -0.00613 -0.00754 0.02545 -0.00156 102 2S -0.06879 -0.00962 -0.01769 0.03802 -0.00043 103 13 H 1S 0.09108 0.07906 0.04180 0.08297 0.00242 104 2S 0.01901 0.07320 0.03400 0.07123 0.00131 105 14 H 1S -0.03336 -0.00937 0.01272 -0.01224 0.00039 106 2S -0.03229 -0.01823 0.02122 -0.01141 0.00189 107 15 C 1S 0.00215 -0.00092 0.00061 -0.00086 -0.00002 108 2S -0.00212 0.00274 -0.00100 0.00004 -0.00013 109 2PX -0.00323 0.00253 -0.00028 0.00164 0.00008 110 2PY 0.00569 0.00021 -0.00102 -0.00025 -0.00010 111 2PZ -0.01752 0.00968 -0.00548 0.00069 -0.00011 112 3S -0.00295 0.00371 -0.00052 0.00040 -0.00031 113 3PX 0.00222 -0.00300 -0.00296 -0.00092 0.00023 114 3PY 0.00041 0.00015 -0.00061 -0.00171 0.00022 115 3PZ -0.00572 0.01056 -0.00459 -0.00645 -0.00043 116 4XX 0.00118 0.00002 -0.00041 -0.00132 0.00004 117 4YY -0.00037 0.00006 -0.00036 -0.00059 -0.00002 118 4ZZ -0.00068 -0.00030 0.00068 0.00184 -0.00001 119 4XY -0.00087 0.00002 -0.00095 -0.00079 0.00006 120 4XZ -0.00079 -0.00006 -0.00017 -0.00014 0.00002 121 4YZ -0.00190 0.00109 -0.00100 -0.00153 0.00005 122 16 C 1S 0.00485 0.00199 0.00085 -0.00127 -0.00017 123 2S -0.00903 -0.00102 -0.00100 0.00195 0.00043 124 2PX -0.04191 -0.01623 0.00751 0.01813 0.00142 125 2PY -0.00883 0.00246 -0.00146 0.00012 0.00011 126 2PZ -0.03612 -0.00601 0.01048 0.01475 0.00136 127 3S -0.04200 -0.00318 0.00214 0.02033 0.00139 128 3PX -0.02839 -0.01262 0.00969 0.00941 0.00147 129 3PY -0.00535 0.00702 -0.00077 0.00151 -0.00037 130 3PZ -0.03138 -0.00618 0.00395 0.01530 0.00129 131 4XX -0.00109 0.00048 0.00025 -0.00021 0.00000 132 4YY 0.00032 -0.00016 -0.00050 0.00046 0.00000 133 4ZZ 0.00204 -0.00013 -0.00008 -0.00077 -0.00004 134 4XY 0.00000 0.00060 -0.00040 0.00015 -0.00007 135 4XZ -0.00124 -0.00079 0.00020 0.00018 0.00003 136 4YZ 0.00020 -0.00027 -0.00075 0.00029 -0.00007 137 17 C 1S 0.00255 -0.00447 -0.00152 -0.00311 -0.00041 138 2S -0.00748 0.00430 -0.00070 0.00600 0.00046 139 2PX -0.01136 0.01166 -0.00823 0.00175 -0.00106 140 2PY 0.00173 0.00523 0.00237 -0.00097 0.00006 141 2PZ -0.00089 -0.00415 -0.00976 0.00681 -0.00135 142 3S 0.00821 0.00074 0.00022 -0.00599 0.00009 143 3PX -0.00614 0.01151 -0.00630 0.01038 -0.00074 144 3PY -0.01294 0.00524 -0.00020 0.00827 0.00012 145 3PZ 0.00619 0.00038 -0.00482 -0.00124 -0.00115 146 4XX 0.00265 -0.00163 0.00103 0.00221 -0.00015 147 4YY -0.00173 0.00055 -0.00030 -0.00003 0.00004 148 4ZZ 0.00031 0.00056 -0.00096 -0.00250 0.00005 149 4XY 0.00252 0.00074 -0.00040 -0.00078 -0.00009 150 4XZ 0.00127 -0.00019 0.00011 -0.00054 -0.00012 151 4YZ 0.00140 0.00029 -0.00086 -0.00121 -0.00013 152 18 H 1S -0.01211 0.00232 -0.00034 0.00659 0.00011 153 2S -0.00943 -0.00804 0.00285 0.01558 0.00053 154 19 H 1S 0.01424 -0.00070 -0.00473 -0.00305 -0.00050 155 2S 0.01824 0.00230 -0.00674 -0.00338 -0.00091 156 20 H 1S -0.00629 0.00653 0.00366 -0.00270 0.00098 157 2S -0.00090 0.00371 0.00287 -0.00756 0.00068 158 21 H 1S 0.00559 -0.00050 -0.00113 -0.00515 0.00001 159 2S 0.00913 -0.00122 -0.00426 -0.01008 0.00014 160 22 O 1S 0.00837 -0.00231 0.00265 0.00095 0.00014 161 2S -0.01856 0.00416 -0.00504 -0.00118 -0.00029 162 2PX -0.01250 0.01346 -0.01906 -0.02776 0.00093 163 2PY -0.03111 0.01810 -0.00894 -0.01363 -0.00024 164 2PZ -0.02063 0.03044 -0.03008 -0.04821 0.00025 165 3S -0.02749 0.01421 -0.00734 0.00314 -0.00059 166 3PX -0.00875 0.01046 -0.01350 -0.01961 0.00078 167 3PY -0.01881 0.00959 -0.00611 -0.01099 -0.00013 168 3PZ -0.01345 0.01985 -0.02006 -0.03601 0.00032 169 4XX -0.00045 0.00034 -0.00079 -0.00089 -0.00003 170 4YY 0.00149 -0.00081 0.00051 0.00054 -0.00002 171 4ZZ -0.00030 -0.00048 0.00047 -0.00017 0.00005 172 4XY 0.00034 -0.00029 0.00084 0.00070 -0.00005 173 4XZ 0.00070 -0.00073 -0.00010 -0.00054 0.00003 174 4YZ 0.00142 -0.00148 0.00138 0.00194 0.00000 175 23 O 1S -0.00140 -0.00066 0.00032 0.00120 0.00004 176 2S 0.00520 0.00116 -0.00170 -0.00313 -0.00018 177 2PX 0.02578 0.00457 0.00796 -0.00206 -0.00035 178 2PY -0.00375 0.01138 0.00147 -0.00662 -0.00002 179 2PZ 0.01643 -0.00984 0.00790 0.00188 -0.00015 180 3S 0.00764 0.00274 0.00055 -0.01042 -0.00035 181 3PX 0.02367 0.00319 0.00614 -0.00363 -0.00055 182 3PY -0.00329 0.00886 0.00121 -0.00583 0.00000 183 3PZ 0.01702 -0.00549 0.00421 -0.00022 -0.00026 184 4XX -0.00092 -0.00070 0.00017 0.00061 0.00007 185 4YY -0.00005 0.00042 -0.00011 0.00010 0.00001 186 4ZZ 0.00064 0.00017 -0.00045 0.00006 -0.00005 187 4XY 0.00066 0.00030 0.00028 -0.00015 -0.00001 188 4XZ -0.00026 -0.00021 0.00025 0.00019 0.00001 189 4YZ 0.00011 -0.00039 0.00016 0.00026 0.00000 71 72 73 74 75 71 4YY 0.00121 72 4ZZ -0.00033 0.00105 73 4XY 0.00003 0.00038 0.00096 74 4XZ -0.00007 0.00033 0.00054 0.00130 75 4YZ -0.00025 -0.00018 -0.00004 0.00042 0.00091 76 6 C 1S 0.00081 -0.00456 -0.00115 0.00264 0.00410 77 2S -0.00222 0.00848 0.00204 -0.00524 -0.00767 78 2PX 0.00072 -0.00573 0.00143 -0.00785 0.00393 79 2PY 0.00983 -0.00739 0.00103 0.00344 -0.00341 80 2PZ -0.00224 0.00103 0.00361 -0.00571 -0.00869 81 3S -0.00177 0.00861 0.00249 -0.00331 -0.00612 82 3PX 0.00125 -0.00456 0.00119 -0.00505 0.00155 83 3PY 0.00342 -0.00229 0.00060 0.00034 -0.00276 84 3PZ -0.00014 -0.00148 0.00105 -0.00512 -0.00415 85 4XX -0.00011 -0.00043 -0.00026 -0.00024 0.00030 86 4YY 0.00085 -0.00039 0.00005 0.00016 -0.00031 87 4ZZ -0.00055 0.00029 0.00009 0.00052 0.00033 88 4XY 0.00004 -0.00001 -0.00006 0.00012 -0.00008 89 4XZ 0.00019 0.00011 0.00038 0.00062 0.00002 90 4YZ -0.00020 0.00009 -0.00013 0.00011 0.00031 91 7 H 1S 0.00007 -0.00017 0.00039 0.00149 -0.00084 92 2S -0.00017 0.00099 0.00092 0.00196 -0.00199 93 8 H 1S -0.00008 0.00018 -0.00020 -0.00062 0.00110 94 2S -0.00033 -0.00007 -0.00069 -0.00148 0.00253 95 9 H 1S -0.00011 -0.00001 0.00029 0.00020 -0.00198 96 2S 0.00023 0.00044 0.00036 0.00043 -0.00306 97 10 H 1S 0.00174 0.00161 0.00762 0.00092 -0.00178 98 2S -0.00149 0.00325 0.00741 0.00198 -0.00143 99 11 H 1S -0.00486 -0.00663 -0.01023 -0.00741 0.00360 100 2S -0.00282 -0.00648 -0.00917 -0.00856 0.00244 101 12 H 1S 0.00650 -0.00183 0.00121 0.00093 -0.00478 102 2S 0.00718 -0.00457 0.00058 0.00158 -0.00206 103 13 H 1S -0.00576 0.00364 0.00695 0.01312 0.00750 104 2S -0.00434 0.00446 0.00698 0.01252 0.00651 105 14 H 1S 0.00276 -0.00025 -0.00568 -0.00207 -0.00549 106 2S -0.00032 0.00040 -0.00580 -0.00284 -0.00499 107 15 C 1S 0.00007 -0.00007 -0.00013 -0.00031 -0.00004 108 2S -0.00026 0.00031 0.00022 0.00060 0.00002 109 2PX -0.00029 0.00045 0.00040 0.00058 0.00003 110 2PY 0.00006 0.00004 0.00023 0.00013 -0.00015 111 2PZ 0.00016 0.00025 0.00062 0.00055 -0.00015 112 3S -0.00036 0.00070 0.00022 0.00098 0.00006 113 3PX 0.00004 -0.00033 0.00002 -0.00021 -0.00001 114 3PY 0.00001 -0.00011 -0.00030 -0.00028 -0.00003 115 3PZ 0.00024 -0.00014 0.00032 0.00007 -0.00027 116 4XX 0.00000 -0.00014 -0.00004 -0.00008 -0.00003 117 4YY 0.00003 -0.00003 -0.00002 -0.00005 -0.00002 118 4ZZ -0.00002 0.00014 0.00004 0.00010 0.00005 119 4XY 0.00003 -0.00009 0.00003 -0.00001 0.00001 120 4XZ 0.00000 -0.00001 0.00000 -0.00002 0.00000 121 4YZ 0.00004 -0.00005 0.00003 -0.00002 0.00002 122 16 C 1S 0.00005 0.00010 -0.00010 -0.00018 -0.00019 123 2S -0.00014 -0.00004 -0.00004 0.00024 -0.00007 124 2PX -0.00112 0.00045 -0.00026 0.00165 0.00050 125 2PY 0.00098 -0.00111 0.00047 -0.00062 -0.00021 126 2PZ -0.00090 0.00048 -0.00017 0.00135 0.00023 127 3S 0.00026 -0.00033 0.00040 0.00187 0.00164 128 3PX -0.00079 -0.00014 -0.00082 0.00007 -0.00037 129 3PY 0.00090 -0.00036 0.00055 0.00044 0.00061 130 3PZ -0.00035 -0.00008 0.00005 0.00093 0.00080 131 4XX 0.00006 0.00003 0.00005 -0.00004 0.00002 132 4YY -0.00001 -0.00001 0.00002 0.00006 -0.00002 133 4ZZ -0.00001 -0.00004 -0.00004 -0.00010 -0.00001 134 4XY -0.00012 0.00024 0.00000 0.00029 0.00005 135 4XZ 0.00006 -0.00009 0.00003 -0.00008 0.00005 136 4YZ -0.00013 0.00020 0.00001 0.00030 0.00005 137 17 C 1S 0.00002 -0.00071 -0.00011 -0.00080 -0.00005 138 2S -0.00044 0.00039 0.00043 0.00161 0.00026 139 2PX -0.00241 0.00460 0.00026 0.00571 0.00064 140 2PY -0.00090 0.00118 -0.00006 0.00109 0.00024 141 2PZ -0.00246 0.00367 0.00017 0.00603 0.00063 142 3S -0.00193 0.00176 0.00003 0.00100 -0.00124 143 3PX -0.00187 0.00344 0.00086 0.00534 0.00131 144 3PY -0.00015 0.00076 0.00052 0.00189 0.00081 145 3PZ -0.00175 0.00268 0.00002 0.00366 -0.00021 146 4XX -0.00006 0.00024 -0.00009 0.00014 0.00006 147 4YY 0.00009 -0.00008 0.00002 -0.00004 -0.00002 148 4ZZ 0.00005 -0.00017 0.00000 -0.00017 -0.00005 149 4XY 0.00006 0.00003 0.00001 -0.00001 -0.00004 150 4XZ -0.00001 0.00016 -0.00005 -0.00002 -0.00003 151 4YZ 0.00004 0.00000 0.00000 0.00001 -0.00004 152 18 H 1S -0.00020 0.00062 0.00045 0.00073 0.00012 153 2S -0.00023 0.00073 0.00022 0.00062 0.00042 154 19 H 1S -0.00037 0.00053 -0.00014 0.00044 0.00009 155 2S -0.00020 0.00066 0.00005 0.00083 0.00029 156 20 H 1S 0.00039 -0.00090 0.00011 -0.00130 -0.00010 157 2S 0.00064 -0.00135 -0.00020 -0.00175 -0.00041 158 21 H 1S 0.00012 -0.00060 -0.00026 -0.00048 -0.00011 159 2S 0.00038 -0.00132 -0.00035 -0.00118 -0.00027 160 22 O 1S -0.00007 0.00013 -0.00014 -0.00013 -0.00001 161 2S 0.00012 -0.00040 0.00034 0.00031 -0.00010 162 2PX 0.00022 -0.00224 0.00076 0.00009 -0.00011 163 2PY 0.00054 0.00010 0.00014 -0.00041 -0.00023 164 2PZ 0.00078 -0.00182 0.00109 -0.00039 -0.00069 165 3S 0.00044 -0.00016 0.00080 0.00116 0.00073 166 3PX 0.00045 -0.00192 0.00051 -0.00034 0.00011 167 3PY 0.00037 -0.00007 -0.00004 -0.00063 -0.00034 168 3PZ 0.00083 -0.00189 0.00072 -0.00109 -0.00072 169 4XX -0.00008 0.00010 0.00001 0.00016 -0.00002 170 4YY -0.00001 0.00000 0.00003 0.00000 -0.00004 171 4ZZ 0.00006 -0.00010 -0.00003 -0.00024 -0.00005 172 4XY -0.00001 0.00010 -0.00004 -0.00003 -0.00002 173 4XZ -0.00002 -0.00001 -0.00007 -0.00005 -0.00001 174 4YZ 0.00001 0.00001 -0.00006 -0.00007 0.00002 175 23 O 1S -0.00004 -0.00007 0.00020 0.00011 0.00014 176 2S 0.00000 0.00014 -0.00047 -0.00016 -0.00015 177 2PX -0.00056 -0.00002 -0.00080 -0.00059 -0.00081 178 2PY -0.00024 0.00066 0.00022 0.00033 0.00016 179 2PZ -0.00030 -0.00126 -0.00112 -0.00133 -0.00077 180 3S 0.00020 -0.00016 -0.00093 -0.00111 -0.00109 181 3PX -0.00032 0.00000 -0.00060 -0.00060 -0.00079 182 3PY -0.00020 0.00047 0.00006 0.00009 -0.00008 183 3PZ -0.00007 -0.00093 -0.00079 -0.00109 -0.00050 184 4XX -0.00005 -0.00002 -0.00004 0.00003 0.00003 185 4YY -0.00003 0.00003 0.00000 0.00006 0.00005 186 4ZZ 0.00001 0.00004 0.00004 0.00004 0.00005 187 4XY -0.00001 -0.00001 -0.00002 -0.00002 -0.00005 188 4XZ 0.00001 -0.00001 0.00005 -0.00001 0.00001 189 4YZ -0.00005 0.00000 -0.00005 0.00002 -0.00001 76 77 78 79 80 76 6 C 1S 2.05499 77 2S -0.06133 0.32633 78 2PX -0.00315 0.00483 0.35439 79 2PY -0.00191 -0.00376 -0.02302 0.41151 80 2PZ 0.00214 0.00093 -0.04001 -0.00391 0.38399 81 3S -0.19781 0.29069 -0.01224 0.00350 -0.02807 82 3PX 0.00758 -0.01604 0.19637 0.01982 0.03217 83 3PY 0.00758 0.00820 -0.00467 0.13002 0.01758 84 3PZ 0.00297 -0.00462 0.04853 0.01429 0.17020 85 4XX -0.01132 -0.01296 0.00889 -0.00494 -0.00137 86 4YY -0.01838 0.00158 -0.00429 0.02195 -0.00253 87 4ZZ -0.01398 -0.00730 -0.00781 -0.01079 0.00470 88 4XY 0.00161 -0.00345 -0.00762 -0.00005 0.00415 89 4XZ 0.00249 -0.00560 -0.00453 0.00528 0.00115 90 4YZ 0.00081 -0.00153 0.00335 -0.00229 -0.01081 91 7 H 1S 0.01338 -0.02791 -0.03271 0.00421 0.03215 92 2S 0.01887 -0.03229 -0.07741 -0.00142 0.06794 93 8 H 1S -0.00753 0.01707 0.03031 -0.01511 -0.01497 94 2S -0.01234 0.02410 0.06563 -0.03044 -0.02984 95 9 H 1S -0.00252 0.00795 -0.01088 -0.00924 -0.00291 96 2S -0.00361 0.01394 -0.03433 -0.02541 -0.00578 97 10 H 1S -0.00421 0.01109 -0.01223 -0.01109 0.01092 98 2S -0.00628 0.01442 -0.02776 -0.02015 0.01335 99 11 H 1S 0.00809 -0.01963 0.02500 0.00184 -0.02345 100 2S 0.01421 -0.02688 0.08200 0.01218 -0.02898 101 12 H 1S -0.05969 0.11295 -0.02940 0.26416 -0.02264 102 2S -0.01311 0.02597 -0.00927 0.24494 -0.02198 103 13 H 1S 0.00810 -0.02346 0.00302 0.00514 -0.02613 104 2S 0.01255 -0.02988 -0.00775 0.01032 -0.05902 105 14 H 1S -0.00194 0.00810 0.00892 -0.00400 0.02444 106 2S -0.00257 0.00829 0.01197 -0.01247 0.03387 107 15 C 1S 0.00031 0.00016 0.00230 0.00028 0.00028 108 2S -0.00014 0.00012 -0.00528 -0.00125 -0.00036 109 2PX -0.00106 0.00104 -0.00789 -0.00129 -0.00106 110 2PY -0.00029 0.00035 -0.00362 0.00069 0.00186 111 2PZ -0.00089 0.00172 0.00116 0.00103 0.00274 112 3S -0.00167 -0.00067 -0.01412 -0.00313 -0.00050 113 3PX -0.00070 -0.00067 -0.00054 0.00011 -0.00161 114 3PY 0.00010 -0.00080 0.00120 -0.00034 0.00116 115 3PZ -0.00012 0.00145 0.01062 0.00170 0.00866 116 4XX 0.00047 -0.00028 0.00260 0.00032 0.00062 117 4YY 0.00012 -0.00014 0.00035 0.00024 0.00036 118 4ZZ -0.00034 0.00032 -0.00261 -0.00051 -0.00089 119 4XY 0.00036 -0.00075 0.00234 0.00068 0.00100 120 4XZ 0.00011 -0.00015 0.00004 -0.00016 0.00005 121 4YZ 0.00050 -0.00078 0.00242 0.00047 0.00097 122 16 C 1S -0.00096 0.00324 -0.00345 -0.00441 -0.00066 123 2S 0.00309 -0.00397 0.00801 0.00650 0.00422 124 2PX 0.00602 -0.01970 0.00551 0.00668 0.00167 125 2PY 0.00166 -0.00257 0.02186 0.01611 0.01217 126 2PZ 0.00542 -0.01607 0.01141 0.00646 0.00573 127 3S -0.00390 -0.01547 0.01235 0.04106 -0.01991 128 3PX 0.00525 -0.01582 0.01447 0.00809 0.01702 129 3PY -0.00344 0.00096 0.00298 0.01500 -0.01066 130 3PZ 0.00095 -0.01385 0.02189 0.00944 -0.00461 131 4XX -0.00015 0.00009 0.00100 -0.00028 0.00082 132 4YY 0.00008 -0.00002 -0.00029 0.00010 -0.00048 133 4ZZ -0.00011 0.00080 -0.00016 -0.00085 0.00001 134 4XY -0.00037 0.00017 -0.00560 -0.00230 -0.00325 135 4XZ 0.00016 -0.00052 0.00162 0.00076 0.00149 136 4YZ -0.00043 0.00030 -0.00505 -0.00154 -0.00330 137 17 C 1S -0.00195 0.00260 0.00844 0.00428 0.00244 138 2S 0.00085 -0.01172 -0.01025 -0.00287 -0.00673 139 2PX -0.00438 0.00253 -0.10007 -0.03473 -0.05651 140 2PY 0.00057 -0.00518 -0.02519 -0.01767 -0.00962 141 2PZ -0.00771 0.01090 -0.08812 -0.02312 -0.05946 142 3S 0.01939 -0.00897 -0.03369 -0.03756 0.01772 143 3PX 0.00116 -0.00241 -0.06898 -0.02648 -0.05827 144 3PY -0.00042 -0.00593 -0.01876 0.00967 -0.01998 145 3PZ 0.00289 0.00279 -0.07191 -0.01844 -0.02544 146 4XX -0.00166 0.00291 -0.00639 -0.00236 -0.00506 147 4YY -0.00015 -0.00072 0.00200 0.00233 0.00114 148 4ZZ 0.00005 -0.00093 0.00300 0.00031 0.00308 149 4XY -0.00065 0.00175 -0.00232 0.00081 -0.00135 150 4XZ -0.00087 0.00215 -0.00444 -0.00155 -0.00101 151 4YZ -0.00069 0.00189 -0.00161 0.00050 -0.00103 152 18 H 1S -0.00145 0.00102 -0.00985 -0.00186 -0.00338 153 2S -0.00191 0.00051 -0.01929 -0.00327 -0.01360 154 19 H 1S -0.00217 0.00570 -0.01886 -0.00820 -0.01269 155 2S -0.00428 0.00822 -0.02244 -0.01240 -0.02171 156 20 H 1S 0.00600 -0.01492 0.02504 0.00207 0.02148 157 2S 0.00674 -0.01323 0.02736 0.00707 0.02821 158 21 H 1S 0.00142 -0.00087 0.01077 0.00153 0.00282 159 2S 0.00191 -0.00083 0.02157 0.00370 0.00566 160 22 O 1S -0.00006 0.00124 -0.00404 -0.00016 0.00063 161 2S 0.00144 -0.00357 0.00922 0.00011 0.00160 162 2PX 0.00871 -0.01381 0.06018 0.01144 0.01992 163 2PY 0.00185 -0.00158 0.00860 -0.00100 0.00434 164 2PZ 0.00815 -0.00917 0.05232 0.01312 0.02773 165 3S -0.00560 -0.00092 0.01762 0.00057 -0.01791 166 3PX 0.00393 -0.01001 0.05169 0.01067 0.01445 167 3PY 0.00167 -0.00082 0.00514 -0.00137 0.00722 168 3PZ 0.00725 -0.00761 0.04912 0.01409 0.03125 169 4XX 0.00024 -0.00022 -0.00249 -0.00102 -0.00083 170 4YY 0.00041 0.00028 -0.00014 0.00053 0.00077 171 4ZZ 0.00077 -0.00013 0.00221 0.00025 0.00242 172 4XY -0.00030 0.00069 -0.00263 -0.00048 -0.00036 173 4XZ -0.00009 0.00043 -0.00078 -0.00004 -0.00006 174 4YZ -0.00035 0.00059 -0.00104 0.00015 -0.00079 175 23 O 1S -0.00022 -0.00083 0.00029 0.00057 -0.00038 176 2S -0.00032 0.00189 -0.00261 -0.00159 -0.00241 177 2PX -0.00196 0.01053 -0.00511 -0.00636 -0.00385 178 2PY -0.00012 0.00069 -0.00506 -0.00592 -0.00207 179 2PZ -0.00038 0.00618 0.01085 0.00505 0.00366 180 3S 0.00417 0.00260 0.00467 -0.00354 0.01629 181 3PX -0.00087 0.00950 -0.00800 -0.00668 -0.00036 182 3PY 0.00084 0.00063 -0.00068 -0.00534 0.00212 183 3PZ -0.00100 0.00695 0.00652 0.00313 0.00013 184 4XX 0.00013 -0.00070 0.00054 0.00032 -0.00035 185 4YY -0.00035 0.00001 -0.00039 -0.00001 -0.00100 186 4ZZ -0.00059 0.00049 -0.00161 -0.00047 -0.00143 187 4XY 0.00006 0.00032 0.00006 0.00005 0.00023 188 4XZ 0.00001 -0.00012 0.00024 0.00009 0.00015 189 4YZ 0.00000 0.00005 -0.00046 -0.00022 -0.00048 81 82 83 84 85 81 3S 0.30061 82 3PX -0.02129 0.12487 83 3PY -0.00563 0.00624 0.05321 84 3PZ -0.02581 0.05271 0.01514 0.09658 85 4XX -0.01129 0.00518 -0.00167 0.00075 0.00149 86 4YY 0.00386 -0.00114 0.00652 -0.00038 -0.00052 87 4ZZ -0.00678 -0.00449 -0.00330 -0.00006 0.00007 88 4XY -0.00321 -0.00319 0.00011 0.00028 0.00000 89 4XZ -0.00351 -0.00169 0.00145 -0.00063 0.00001 90 4YZ -0.00060 0.00006 -0.00162 -0.00357 0.00014 91 7 H 1S -0.05772 -0.01770 0.01041 0.00730 0.00307 92 2S -0.05898 -0.03769 0.01146 0.01283 0.00157 93 8 H 1S 0.04153 0.02563 -0.00659 -0.01358 0.00034 94 2S 0.04889 0.04372 -0.01573 -0.01523 0.00109 95 9 H 1S 0.00542 -0.01174 0.00990 -0.00326 -0.00021 96 2S 0.01443 -0.02815 0.00402 -0.00905 -0.00090 97 10 H 1S 0.01102 -0.00908 0.00455 0.00279 -0.00024 98 2S 0.01061 -0.02205 0.00342 -0.00198 -0.00114 99 11 H 1S -0.03205 0.01668 -0.00582 0.00221 0.00458 100 2S -0.04475 0.04621 0.00375 0.01693 0.00610 101 12 H 1S 0.11235 -0.00498 0.08410 -0.00406 -0.00852 102 2S 0.03320 0.01110 0.07232 0.00216 -0.00501 103 13 H 1S -0.01620 -0.00408 -0.00731 -0.02954 -0.00244 104 2S -0.01438 -0.01446 -0.00677 -0.04306 -0.00103 105 14 H 1S -0.00360 0.00075 0.00943 0.02498 0.00137 106 2S 0.00098 0.00617 0.00178 0.02866 0.00250 107 15 C 1S -0.00427 0.00077 0.00191 0.00078 0.00004 108 2S 0.00569 -0.00092 -0.00097 -0.00391 0.00020 109 2PX 0.01577 -0.00104 -0.00453 -0.00865 -0.00021 110 2PY 0.00790 0.00267 0.00141 -0.00228 -0.00035 111 2PZ 0.01037 0.00059 -0.00641 0.00420 -0.00101 112 3S 0.00771 -0.00509 -0.00322 -0.00671 0.00069 113 3PX 0.00049 0.00104 0.00155 -0.00251 0.00030 114 3PY -0.00407 0.00169 0.00206 0.00055 0.00023 115 3PZ -0.00685 0.00525 0.00533 0.00992 -0.00113 116 4XX -0.00398 0.00129 0.00246 0.00156 0.00006 117 4YY -0.00117 -0.00005 0.00051 0.00071 -0.00003 118 4ZZ 0.00503 -0.00109 -0.00301 -0.00210 -0.00004 119 4XY -0.00072 0.00172 0.00061 0.00133 0.00015 120 4XZ -0.00051 -0.00014 -0.00009 0.00040 0.00006 121 4YZ -0.00382 0.00104 0.00135 0.00158 0.00024 122 16 C 1S -0.00040 -0.00317 0.00096 -0.00133 -0.00050 123 2S -0.00631 0.00581 0.00158 0.00434 0.00121 124 2PX 0.01557 0.01645 -0.02124 0.00020 0.00642 125 2PY -0.00887 0.01834 0.00077 0.01980 -0.00218 126 2PZ 0.00403 0.02241 -0.01483 -0.00082 0.00551 127 3S -0.00131 0.00671 0.00009 -0.00728 0.00314 128 3PX 0.00104 0.01960 -0.01035 0.00997 0.00457 129 3PY -0.00791 -0.00145 0.00611 0.00096 -0.00247 130 3PZ 0.00823 0.02259 -0.01129 -0.00260 0.00448 131 4XX 0.00048 0.00095 -0.00073 0.00042 0.00002 132 4YY 0.00091 0.00000 -0.00033 -0.00013 0.00001 133 4ZZ -0.00076 -0.00059 0.00107 -0.00013 -0.00011 134 4XY 0.00075 -0.00377 -0.00101 -0.00331 0.00023 135 4XZ 0.00094 0.00169 -0.00101 0.00148 0.00002 136 4YZ 0.00172 -0.00388 -0.00112 -0.00305 0.00021 137 17 C 1S 0.00479 -0.00167 0.00191 0.00396 -0.00149 138 2S 0.00189 0.00231 -0.00686 -0.00722 0.00264 139 2PX 0.00879 -0.06592 -0.01521 -0.05403 0.00496 140 2PY 0.00296 -0.01541 -0.00272 -0.01961 0.00346 141 2PZ 0.03433 -0.06243 -0.01959 -0.05024 0.00291 142 3S 0.00633 -0.00809 -0.01663 -0.00658 0.00472 143 3PX 0.01131 -0.04891 -0.01405 -0.04815 0.00307 144 3PY 0.00142 -0.01363 -0.00006 -0.01789 0.00193 145 3PZ 0.01276 -0.04703 -0.01040 -0.03220 0.00247 146 4XX 0.00712 -0.00462 -0.00312 -0.00457 -0.00044 147 4YY -0.00221 0.00123 0.00109 0.00142 0.00004 148 4ZZ -0.00431 0.00194 0.00251 0.00257 0.00018 149 4XY -0.00026 -0.00166 0.00187 -0.00108 -0.00038 150 4XZ 0.00174 -0.00304 -0.00075 -0.00144 -0.00023 151 4YZ -0.00001 -0.00253 0.00115 0.00021 -0.00043 152 18 H 1S 0.02158 -0.00373 -0.01273 -0.00671 -0.00017 153 2S 0.03436 -0.00893 -0.02261 -0.01663 0.00052 154 19 H 1S 0.00326 -0.01990 0.00386 -0.01165 -0.00039 155 2S 0.00516 -0.02251 0.00369 -0.01651 -0.00119 156 20 H 1S -0.01940 0.02450 0.00643 0.01187 0.00237 157 2S -0.02511 0.02492 0.01126 0.01827 0.00128 158 21 H 1S -0.01834 0.00436 0.01006 0.00827 0.00012 159 2S -0.02970 0.00959 0.01785 0.01473 -0.00027 160 22 O 1S -0.00071 0.00230 0.00275 -0.00410 0.00035 161 2S 0.00712 -0.00370 -0.00818 0.00912 -0.00046 162 2PX -0.06013 0.03304 0.03525 0.03603 0.00293 163 2PY -0.03805 -0.01207 0.00553 0.01762 0.00032 164 2PZ -0.09377 0.02384 0.05511 0.04421 0.00201 165 3S 0.00111 -0.00863 -0.00729 0.00833 -0.00246 166 3PX -0.04692 0.02864 0.02790 0.02875 0.00148 167 3PY -0.02465 -0.00708 0.00346 0.01326 0.00033 168 3PZ -0.06964 0.02555 0.04139 0.04032 0.00128 169 4XX -0.00102 -0.00166 0.00027 -0.00089 0.00033 170 4YY 0.00234 0.00115 -0.00011 -0.00071 -0.00001 171 4ZZ 0.00016 0.00189 -0.00023 0.00145 -0.00001 172 4XY 0.00189 -0.00172 -0.00110 -0.00119 -0.00010 173 4XZ -0.00061 -0.00060 0.00050 -0.00008 0.00002 174 4YZ 0.00343 -0.00027 -0.00176 -0.00116 -0.00021 175 23 O 1S 0.00478 -0.00034 -0.00292 -0.00037 0.00005 176 2S -0.01174 -0.00062 0.00710 -0.00261 0.00009 177 2PX -0.01340 -0.00598 0.01719 -0.00465 -0.00284 178 2PY -0.01504 -0.01029 0.00351 -0.00627 0.00057 179 2PZ -0.00940 0.00676 0.01291 0.01134 -0.00300 180 3S -0.02205 0.00577 0.01075 0.01417 -0.00127 181 3PX -0.00989 -0.00764 0.01269 -0.00164 -0.00285 182 3PY -0.01203 -0.00555 0.00296 -0.00118 0.00037 183 3PZ -0.00809 0.00205 0.01200 0.00636 -0.00270 184 4XX -0.00027 0.00061 -0.00014 -0.00022 0.00027 185 4YY -0.00009 -0.00059 0.00005 -0.00109 0.00006 186 4ZZ 0.00112 -0.00155 -0.00034 -0.00116 -0.00011 187 4XY -0.00078 0.00003 0.00066 0.00012 -0.00012 188 4XZ 0.00042 0.00039 -0.00024 0.00009 0.00002 189 4YZ 0.00012 -0.00021 0.00012 -0.00030 0.00002 86 87 88 89 90 86 4YY 0.00186 87 4ZZ -0.00073 0.00145 88 4XY -0.00013 0.00035 0.00042 89 4XZ 0.00039 -0.00006 0.00009 0.00069 90 4YZ -0.00011 -0.00004 -0.00027 -0.00008 0.00065 91 7 H 1S -0.00535 0.00632 0.00350 -0.00387 -0.00211 92 2S -0.00515 0.00695 0.00520 -0.00176 -0.00393 93 8 H 1S -0.00257 0.00002 0.00085 -0.00030 -0.00058 94 2S -0.00387 -0.00050 0.00037 -0.00117 -0.00017 95 9 H 1S 0.00086 -0.00008 -0.00059 0.00023 -0.00041 96 2S 0.00150 -0.00030 -0.00078 0.00062 -0.00057 97 10 H 1S -0.00155 0.00123 -0.00019 0.00082 0.00098 98 2S -0.00211 0.00239 -0.00041 0.00093 0.00075 99 11 H 1S -0.00287 0.00116 -0.00002 -0.00707 0.00220 100 2S -0.00199 -0.00220 -0.00147 -0.00574 0.00328 101 12 H 1S 0.01671 -0.00993 -0.00154 0.00194 -0.00169 102 2S 0.01588 -0.00874 -0.00135 0.00309 -0.00104 103 13 H 1S -0.00242 0.00811 -0.00106 0.00401 0.00144 104 2S -0.00166 0.00535 -0.00102 0.00503 0.00280 105 14 H 1S -0.00100 -0.00013 -0.00010 -0.00069 0.00105 106 2S -0.00204 -0.00038 0.00006 -0.00099 0.00117 107 15 C 1S 0.00013 0.00003 -0.00003 -0.00016 0.00007 108 2S -0.00018 0.00009 -0.00003 0.00059 -0.00011 109 2PX -0.00006 0.00010 -0.00012 0.00040 -0.00005 110 2PY 0.00002 0.00026 0.00017 0.00029 -0.00002 111 2PZ 0.00037 0.00014 -0.00013 -0.00018 -0.00016 112 3S -0.00020 -0.00002 0.00016 0.00113 -0.00013 113 3PX 0.00012 -0.00010 -0.00009 0.00002 -0.00009 114 3PY -0.00008 0.00009 0.00006 0.00014 0.00004 115 3PZ 0.00041 0.00050 -0.00026 -0.00024 -0.00028 116 4XX 0.00002 0.00004 -0.00004 -0.00007 -0.00002 117 4YY 0.00002 0.00002 0.00003 0.00003 0.00000 118 4ZZ -0.00004 -0.00008 0.00001 0.00000 0.00001 119 4XY -0.00002 -0.00010 0.00001 0.00004 0.00001 120 4XZ -0.00002 -0.00001 0.00002 0.00002 0.00000 121 4YZ -0.00002 -0.00009 0.00000 0.00009 0.00001 122 16 C 1S -0.00011 0.00057 -0.00027 -0.00026 -0.00015 123 2S 0.00040 -0.00090 0.00041 0.00034 0.00011 124 2PX -0.00097 -0.00319 0.00142 0.00302 0.00055 125 2PY 0.00126 0.00002 0.00056 -0.00109 0.00046 126 2PZ -0.00060 -0.00255 0.00099 0.00228 0.00052 127 3S 0.00159 -0.00306 0.00029 0.00172 0.00055 128 3PX -0.00070 -0.00203 0.00087 0.00155 0.00013 129 3PY 0.00134 0.00063 0.00000 -0.00055 0.00041 130 3PZ -0.00045 -0.00256 0.00032 0.00176 0.00045 131 4XX -0.00003 -0.00003 -0.00001 0.00002 0.00004 132 4YY 0.00000 -0.00004 0.00001 0.00003 0.00001 133 4ZZ 0.00000 0.00012 -0.00007 -0.00008 -0.00007 134 4XY -0.00013 0.00002 0.00010 0.00023 0.00004 135 4XZ 0.00001 -0.00009 0.00005 -0.00002 0.00000 136 4YZ -0.00009 -0.00009 0.00009 0.00015 0.00003 137 17 C 1S 0.00012 -0.00031 -0.00016 -0.00082 -0.00007 138 2S -0.00134 -0.00051 0.00064 0.00233 0.00042 139 2PX -0.00229 -0.00005 0.00256 0.00541 0.00117 140 2PY -0.00230 0.00012 -0.00041 0.00262 -0.00042 141 2PZ -0.00079 -0.00138 0.00185 0.00200 0.00099 142 3S -0.00364 -0.00023 0.00142 0.00285 -0.00038 143 3PX -0.00184 0.00015 0.00135 0.00369 0.00132 144 3PY 0.00001 -0.00089 -0.00003 0.00203 0.00012 145 3PZ -0.00113 -0.00026 0.00168 0.00204 0.00000 146 4XX 0.00003 0.00011 -0.00002 -0.00022 0.00008 147 4YY 0.00015 -0.00007 0.00001 0.00004 -0.00001 148 4ZZ -0.00003 0.00003 -0.00004 0.00003 -0.00010 149 4XY 0.00013 0.00018 -0.00002 -0.00006 0.00001 150 4XZ 0.00003 0.00010 0.00009 -0.00003 0.00000 151 4YZ 0.00015 0.00011 -0.00003 -0.00023 -0.00001 152 18 H 1S -0.00012 -0.00023 0.00000 0.00017 0.00002 153 2S -0.00042 -0.00084 0.00028 0.00005 0.00029 154 19 H 1S -0.00023 0.00048 -0.00024 -0.00001 -0.00028 155 2S -0.00023 0.00102 -0.00025 -0.00013 -0.00010 156 20 H 1S -0.00130 0.00016 -0.00041 0.00177 -0.00041 157 2S -0.00061 0.00053 -0.00025 0.00071 -0.00067 158 21 H 1S 0.00009 0.00020 -0.00012 -0.00031 -0.00004 159 2S 0.00042 0.00041 -0.00035 -0.00087 -0.00012 160 22 O 1S 0.00017 0.00016 0.00005 0.00011 0.00000 161 2S -0.00051 -0.00055 -0.00017 -0.00025 -0.00013 162 2PX -0.00016 -0.00088 -0.00094 0.00017 -0.00009 163 2PY 0.00000 0.00001 0.00031 0.00046 -0.00005 164 2PZ 0.00057 0.00045 0.00014 0.00175 -0.00007 165 3S 0.00010 0.00027 -0.00047 -0.00070 0.00070 166 3PX 0.00019 -0.00035 -0.00083 -0.00011 0.00009 167 3PY -0.00005 -0.00008 0.00030 0.00019 -0.00017 168 3PZ 0.00055 0.00015 -0.00014 0.00076 -0.00036 169 4XX -0.00011 -0.00007 0.00008 0.00020 -0.00001 170 4YY 0.00002 -0.00005 -0.00002 -0.00001 -0.00004 171 4ZZ -0.00003 -0.00002 -0.00004 -0.00007 -0.00006 172 4XY -0.00001 0.00005 0.00003 0.00002 -0.00002 173 4XZ 0.00003 0.00000 0.00003 -0.00005 0.00000 174 4YZ 0.00004 0.00000 -0.00003 -0.00017 0.00002 175 23 O 1S -0.00013 -0.00024 0.00001 0.00001 0.00001 176 2S 0.00025 0.00047 -0.00007 0.00013 0.00003 177 2PX 0.00074 0.00252 -0.00087 -0.00149 -0.00036 178 2PY -0.00051 0.00016 -0.00024 0.00050 0.00001 179 2PZ 0.00126 0.00186 -0.00054 -0.00179 -0.00037 180 3S 0.00029 0.00151 0.00019 -0.00050 -0.00001 181 3PX 0.00057 0.00228 -0.00059 -0.00134 -0.00031 182 3PY -0.00046 0.00020 -0.00018 0.00030 -0.00001 183 3PZ 0.00102 0.00155 -0.00056 -0.00155 -0.00033 184 4XX -0.00002 -0.00012 0.00002 0.00009 0.00000 185 4YY -0.00002 -0.00004 -0.00003 0.00004 0.00001 186 4ZZ -0.00001 0.00003 -0.00002 -0.00003 -0.00001 187 4XY 0.00005 0.00008 -0.00001 -0.00007 -0.00001 188 4XZ -0.00001 -0.00002 0.00000 0.00001 0.00000 189 4YZ 0.00000 0.00004 -0.00001 0.00002 -0.00002 91 92 93 94 95 91 7 H 1S 0.21693 92 2S 0.17899 0.17164 93 8 H 1S -0.02222 -0.02568 0.21693 94 2S -0.02568 -0.03291 0.17899 0.17164 95 9 H 1S -0.00941 -0.01833 -0.02289 -0.02724 0.21714 96 2S -0.02008 -0.02682 -0.02758 -0.03410 0.17586 97 10 H 1S 0.00342 0.01033 -0.00882 -0.02287 -0.01340 98 2S 0.00712 0.01814 -0.02135 -0.03822 -0.01059 99 11 H 1S -0.00882 -0.02287 0.00342 0.01033 -0.00724 100 2S -0.02135 -0.03822 0.00712 0.01814 -0.01154 101 12 H 1S -0.02289 -0.02724 -0.00941 -0.01833 0.00159 102 2S -0.02758 -0.03410 -0.02008 -0.02682 -0.00152 103 13 H 1S -0.00035 -0.00360 -0.00063 -0.00022 -0.00529 104 2S -0.00121 -0.00328 -0.00021 -0.00044 -0.01224 105 14 H 1S -0.00063 -0.00022 -0.00035 -0.00360 -0.00897 106 2S -0.00021 -0.00044 -0.00121 -0.00328 -0.00567 107 15 C 1S 0.00003 -0.00020 0.00003 -0.00020 0.00003 108 2S 0.00031 0.00145 0.00031 0.00145 -0.00057 109 2PX 0.00016 0.00178 0.00016 0.00178 0.00048 110 2PY 0.00010 0.00108 -0.00010 -0.00108 -0.00079 111 2PZ 0.00118 0.00027 0.00118 0.00027 0.00233 112 3S 0.00015 0.00175 0.00015 0.00175 -0.00148 113 3PX -0.00114 -0.00061 -0.00114 -0.00061 0.00031 114 3PY -0.00068 -0.00008 0.00068 0.00008 0.00086 115 3PZ 0.00049 0.00033 0.00049 0.00033 0.00146 116 4XX -0.00009 -0.00015 -0.00009 -0.00015 -0.00016 117 4YY -0.00008 -0.00005 -0.00008 -0.00005 0.00008 118 4ZZ 0.00028 0.00025 0.00028 0.00025 0.00006 119 4XY -0.00019 -0.00050 0.00019 0.00050 0.00003 120 4XZ 0.00003 0.00001 0.00003 0.00001 -0.00021 121 4YZ -0.00017 -0.00019 0.00017 0.00019 0.00029 122 16 C 1S -0.00005 0.00058 -0.00015 -0.00151 0.00408 123 2S -0.00019 -0.00103 -0.00040 0.00010 -0.00633 124 2PX -0.00044 -0.00607 0.00505 0.01516 -0.01726 125 2PY -0.00075 -0.00444 -0.00069 -0.00607 0.01446 126 2PZ -0.00028 -0.00384 0.00682 0.00957 -0.00486 127 3S -0.00200 -0.00662 0.00376 0.00975 -0.02949 128 3PX 0.00181 -0.00104 0.00141 0.00671 -0.01402 129 3PY -0.00061 -0.00090 0.00192 -0.00049 -0.00485 130 3PZ -0.00424 -0.00986 0.01246 0.01872 -0.00815 131 4XX -0.00016 -0.00018 0.00035 0.00029 0.00033 132 4YY -0.00019 -0.00042 -0.00008 -0.00018 0.00113 133 4ZZ -0.00006 0.00012 0.00003 0.00021 -0.00055 134 4XY 0.00041 0.00102 0.00004 -0.00046 -0.00137 135 4XZ -0.00004 -0.00048 -0.00002 0.00056 0.00012 136 4YZ 0.00040 0.00077 -0.00023 -0.00024 -0.00127 137 17 C 1S -0.00015 -0.00151 -0.00005 0.00058 -0.00154 138 2S -0.00040 0.00010 -0.00019 -0.00103 0.00206 139 2PX 0.00505 0.01516 -0.00044 -0.00607 -0.00479 140 2PY 0.00069 0.00607 0.00075 0.00444 -0.00970 141 2PZ 0.00682 0.00957 -0.00028 -0.00384 -0.00401 142 3S 0.00376 0.00975 -0.00200 -0.00662 0.02037 143 3PX 0.00141 0.00671 0.00181 -0.00104 -0.00386 144 3PY -0.00192 0.00049 0.00061 0.00090 -0.01136 145 3PZ 0.01246 0.01872 -0.00424 -0.00986 -0.00076 146 4XX 0.00035 0.00029 -0.00016 -0.00018 -0.00022 147 4YY -0.00008 -0.00018 -0.00019 -0.00042 0.00017 148 4ZZ 0.00003 0.00021 -0.00006 0.00012 -0.00023 149 4XY -0.00004 0.00046 -0.00041 -0.00102 0.00116 150 4XZ -0.00002 0.00056 -0.00004 -0.00048 0.00024 151 4YZ 0.00023 0.00024 -0.00040 -0.00077 0.00057 152 18 H 1S 0.00108 0.00093 0.00108 0.00093 0.00045 153 2S 0.00129 0.00051 0.00129 0.00051 0.00001 154 19 H 1S 0.00095 0.00361 -0.00193 -0.00036 -0.00804 155 2S -0.00010 0.00234 0.00431 0.00495 -0.00435 156 20 H 1S -0.00193 -0.00036 0.00095 0.00361 -0.00202 157 2S 0.00431 0.00495 -0.00010 0.00234 -0.00284 158 21 H 1S -0.00069 -0.00122 -0.00069 -0.00122 -0.00049 159 2S -0.00180 -0.00266 -0.00180 -0.00266 0.00055 160 22 O 1S 0.00019 0.00148 -0.00010 -0.00077 0.00027 161 2S 0.00028 -0.00269 0.00005 0.00190 -0.00065 162 2PX -0.00315 -0.00741 0.00034 0.00462 0.00042 163 2PY 0.00017 0.00120 -0.00008 -0.00423 0.00413 164 2PZ -0.00405 -0.00151 -0.00141 -0.00298 0.00615 165 3S -0.00398 -0.00955 0.00234 0.00493 -0.00284 166 3PX -0.00455 -0.00836 0.00114 0.00489 0.00000 167 3PY 0.00079 0.00169 -0.00027 -0.00317 0.00403 168 3PZ -0.00269 -0.00184 -0.00126 -0.00198 0.00529 169 4XX 0.00028 0.00063 -0.00010 -0.00028 -0.00014 170 4YY 0.00012 0.00018 -0.00015 0.00000 0.00004 171 4ZZ 0.00003 -0.00002 0.00007 0.00022 0.00006 172 4XY 0.00020 0.00051 -0.00012 -0.00030 -0.00017 173 4XZ 0.00012 0.00021 -0.00005 -0.00015 0.00000 174 4YZ -0.00002 -0.00026 -0.00001 -0.00001 0.00008 175 23 O 1S -0.00010 -0.00077 0.00019 0.00148 0.00030 176 2S 0.00005 0.00190 0.00028 -0.00269 -0.00116 177 2PX 0.00034 0.00462 -0.00315 -0.00741 -0.00313 178 2PY 0.00008 0.00423 -0.00017 -0.00120 0.00246 179 2PZ -0.00141 -0.00298 -0.00405 -0.00151 -0.00083 180 3S 0.00234 0.00493 -0.00398 -0.00955 0.00162 181 3PX 0.00114 0.00489 -0.00455 -0.00836 -0.00071 182 3PY 0.00027 0.00317 -0.00079 -0.00169 0.00216 183 3PZ -0.00126 -0.00198 -0.00269 -0.00184 0.00107 184 4XX -0.00010 -0.00028 0.00028 0.00063 -0.00078 185 4YY -0.00015 0.00000 0.00012 0.00018 0.00045 186 4ZZ 0.00007 0.00022 0.00003 -0.00002 -0.00011 187 4XY 0.00012 0.00030 -0.00020 -0.00051 -0.00008 188 4XZ -0.00005 -0.00015 0.00012 0.00021 0.00013 189 4YZ 0.00001 0.00001 0.00002 0.00026 -0.00054 96 97 98 99 100 96 2S 0.16496 97 10 H 1S -0.00728 0.21593 98 2S -0.00004 0.16993 0.16628 99 11 H 1S -0.01829 -0.02780 -0.03452 0.21593 100 2S -0.02512 -0.03452 -0.04557 0.16993 0.16628 101 12 H 1S -0.00152 -0.00724 -0.01154 -0.01340 -0.01059 102 2S -0.00431 -0.01829 -0.02512 -0.00728 -0.00004 103 13 H 1S -0.01306 0.01701 0.03245 -0.02500 -0.05356 104 2S -0.01808 0.03048 0.04130 -0.05205 -0.06141 105 14 H 1S -0.00497 -0.02500 -0.05356 0.01701 0.03245 106 2S -0.00227 -0.05205 -0.06141 0.03047 0.04130 107 15 C 1S 0.00032 0.00189 0.00272 0.00189 0.00272 108 2S -0.00251 -0.00551 -0.00661 -0.00551 -0.00661 109 2PX -0.00236 -0.00398 -0.00748 -0.00398 -0.00748 110 2PY 0.00311 0.00120 0.00478 -0.00120 -0.00478 111 2PZ 0.00527 -0.00843 -0.00091 -0.00843 -0.00091 112 3S -0.00318 -0.00814 -0.01073 -0.00814 -0.01073 113 3PX -0.00077 0.00445 0.00291 0.00445 0.00291 114 3PY 0.00100 -0.00432 -0.00730 0.00432 0.00730 115 3PZ 0.00219 -0.00992 0.00070 -0.00992 0.00070 116 4XX -0.00032 0.00060 0.00160 0.00060 0.00160 117 4YY 0.00021 0.00010 0.00112 0.00010 0.00112 118 4ZZ 0.00022 -0.00050 -0.00256 -0.00050 -0.00256 119 4XY -0.00011 -0.00027 -0.00147 0.00027 0.00147 120 4XZ 0.00000 0.00039 0.00094 0.00039 0.00094 121 4YZ -0.00036 -0.00016 -0.00313 0.00016 0.00313 122 16 C 1S 0.00292 0.00211 0.00287 0.00009 -0.00157 123 2S -0.00297 -0.00547 -0.00626 0.00017 0.00337 124 2PX -0.02258 -0.01758 -0.01629 0.00264 -0.00527 125 2PY 0.01732 0.00282 0.00554 -0.00031 0.00815 126 2PZ -0.01181 -0.01903 -0.03806 0.00231 -0.00188 127 3S -0.02846 -0.00477 -0.01426 0.00045 0.00729 128 3PX -0.01788 -0.02015 -0.02388 0.00973 0.00637 129 3PY -0.00477 0.00650 0.00532 -0.00532 0.00234 130 3PZ -0.01338 -0.01303 -0.02557 0.00139 0.00014 131 4XX -0.00067 -0.00031 -0.00458 0.00007 0.00073 132 4YY 0.00161 0.00002 0.00153 -0.00031 -0.00071 133 4ZZ -0.00050 0.00078 0.00305 0.00031 0.00002 134 4XY -0.00017 0.00019 0.00009 -0.00088 -0.00118 135 4XZ -0.00046 0.00020 -0.00037 0.00045 0.00037 136 4YZ -0.00062 0.00044 -0.00013 -0.00090 -0.00185 137 17 C 1S -0.00261 0.00009 -0.00157 0.00211 0.00287 138 2S 0.00376 0.00017 0.00337 -0.00547 -0.00626 139 2PX 0.00464 0.00264 -0.00527 -0.01758 -0.01629 140 2PY -0.01643 0.00031 -0.00815 -0.00282 -0.00554 141 2PZ 0.00638 0.00231 -0.00188 -0.01903 -0.03806 142 3S 0.02622 0.00045 0.00729 -0.00477 -0.01426 143 3PX 0.00368 0.00973 0.00637 -0.02014 -0.02388 144 3PY -0.01246 0.00532 -0.00234 -0.00650 -0.00532 145 3PZ 0.00671 0.00139 0.00014 -0.01303 -0.02557 146 4XX 0.00028 0.00007 0.00073 -0.00031 -0.00458 147 4YY 0.00015 -0.00031 -0.00071 0.00002 0.00153 148 4ZZ -0.00083 0.00031 0.00002 0.00078 0.00305 149 4XY 0.00147 0.00088 0.00118 -0.00019 -0.00009 150 4XZ 0.00089 0.00045 0.00037 0.00020 -0.00037 151 4YZ 0.00104 0.00090 0.00185 -0.00044 0.00013 152 18 H 1S 0.00163 -0.00402 -0.00758 -0.00402 -0.00758 153 2S 0.00218 0.00596 -0.00843 0.00596 -0.00843 154 19 H 1S -0.00416 0.00507 0.01533 -0.00257 -0.00622 155 2S -0.00116 0.00721 0.01713 -0.00697 -0.01089 156 20 H 1S -0.00894 -0.00257 -0.00622 0.00507 0.01533 157 2S -0.01062 -0.00697 -0.01089 0.00721 0.01713 158 21 H 1S -0.00051 0.00266 0.00727 0.00266 0.00727 159 2S 0.00035 0.00703 0.01619 0.00703 0.01619 160 22 O 1S 0.00064 -0.00029 -0.00186 0.00248 -0.00390 161 2S -0.00182 0.00059 0.00406 -0.00571 0.00520 162 2PX -0.00851 0.00035 -0.00767 -0.00293 0.03405 163 2PY 0.00308 0.00238 -0.00836 -0.00146 0.03726 164 2PZ 0.00134 0.00406 -0.00690 -0.00480 0.06463 165 3S -0.00272 0.00245 0.01128 -0.01334 0.00936 166 3PX -0.00714 -0.00061 -0.00768 0.00015 0.02980 167 3PY 0.00308 0.00185 -0.00727 0.00175 0.02633 168 3PZ 0.00040 0.00296 -0.00400 -0.00079 0.04875 169 4XX 0.00008 0.00050 0.00018 -0.00054 0.00006 170 4YY -0.00003 -0.00015 0.00006 -0.00055 -0.00276 171 4ZZ -0.00024 -0.00026 -0.00050 0.00098 0.00098 172 4XY 0.00002 0.00004 0.00018 0.00014 -0.00087 173 4XZ 0.00006 0.00001 -0.00031 0.00117 0.00114 174 4YZ 0.00028 0.00004 0.00058 0.00064 -0.00220 175 23 O 1S -0.00252 0.00248 -0.00390 -0.00029 -0.00186 176 2S 0.00539 -0.00571 0.00520 0.00059 0.00406 177 2PX 0.00053 -0.00293 0.03405 0.00035 -0.00767 178 2PY -0.00903 0.00146 -0.03726 -0.00238 0.00836 179 2PZ -0.00039 -0.00480 0.06463 0.00406 -0.00690 180 3S 0.01044 -0.01334 0.00936 0.00245 0.01128 181 3PX 0.00212 0.00015 0.02980 -0.00061 -0.00768 182 3PY -0.00530 -0.00175 -0.02634 -0.00185 0.00727 183 3PZ 0.00268 -0.00079 0.04875 0.00296 -0.00400 184 4XX -0.00088 -0.00054 0.00006 0.00050 0.00018 185 4YY -0.00030 -0.00055 -0.00276 -0.00015 0.00006 186 4ZZ 0.00018 0.00098 0.00098 -0.00026 -0.00050 187 4XY 0.00009 -0.00014 0.00087 -0.00004 -0.00018 188 4XZ -0.00014 0.00117 0.00114 0.00001 -0.00031 189 4YZ -0.00048 -0.00064 0.00220 -0.00004 -0.00058 101 102 103 104 105 101 12 H 1S 0.21714 102 2S 0.17586 0.16496 103 13 H 1S -0.00897 -0.00497 0.21529 104 2S -0.00567 -0.00227 0.17308 0.15893 105 14 H 1S -0.00529 -0.01306 -0.03157 -0.03522 0.21529 106 2S -0.01224 -0.01808 -0.03522 -0.03752 0.17308 107 15 C 1S 0.00003 0.00032 -0.00112 -0.00173 -0.00112 108 2S -0.00057 -0.00251 0.00309 0.00488 0.00309 109 2PX 0.00048 -0.00236 0.00253 0.00484 0.00253 110 2PY 0.00079 -0.00311 -0.00028 -0.00067 0.00028 111 2PZ 0.00233 0.00527 0.00309 0.00346 0.00309 112 3S -0.00148 -0.00318 0.00385 0.00721 0.00385 113 3PX 0.00031 -0.00077 -0.00343 -0.00266 -0.00343 114 3PY -0.00086 -0.00100 -0.00247 -0.00303 0.00247 115 3PZ 0.00146 0.00219 0.00143 -0.00121 0.00143 116 4XX -0.00016 -0.00032 -0.00055 -0.00102 -0.00055 117 4YY 0.00008 0.00021 -0.00024 -0.00017 -0.00024 118 4ZZ 0.00006 0.00022 0.00047 0.00083 0.00047 119 4XY -0.00003 0.00011 -0.00017 0.00030 0.00017 120 4XZ -0.00021 0.00000 -0.00018 0.00000 -0.00018 121 4YZ -0.00029 0.00036 -0.00005 0.00052 0.00005 122 16 C 1S -0.00154 -0.00261 -0.00124 -0.00321 -0.00263 123 2S 0.00206 0.00376 0.00104 0.00341 0.00805 124 2PX -0.00479 0.00464 0.00605 0.02198 0.02530 125 2PY 0.00970 0.01643 -0.00206 -0.00740 -0.00457 126 2PZ -0.00401 0.00638 0.00384 0.01342 0.02412 127 3S 0.02037 0.02622 0.01568 0.02780 -0.00338 128 3PX -0.00386 0.00368 -0.00285 0.00369 0.03165 129 3PY 0.01136 0.01246 0.00665 0.00430 -0.01293 130 3PZ -0.00076 0.00671 0.00496 0.01380 0.01169 131 4XX -0.00022 0.00028 -0.00012 0.00000 0.00042 132 4YY 0.00017 0.00015 0.00033 0.00033 -0.00006 133 4ZZ -0.00023 -0.00083 -0.00055 -0.00111 -0.00121 134 4XY -0.00116 -0.00147 0.00128 0.00256 0.00009 135 4XZ 0.00024 0.00089 -0.00051 -0.00036 -0.00067 136 4YZ -0.00057 -0.00104 0.00126 0.00282 0.00002 137 17 C 1S 0.00408 0.00292 -0.00263 -0.00281 -0.00124 138 2S -0.00633 -0.00297 0.00805 0.01140 0.00104 139 2PX -0.01726 -0.02258 0.02530 0.05155 0.00605 140 2PY -0.01446 -0.01732 0.00457 0.00981 0.00206 141 2PZ -0.00486 -0.01181 0.02413 0.05074 0.00384 142 3S -0.02949 -0.02846 -0.00338 0.00314 0.01568 143 3PX -0.01402 -0.01788 0.03165 0.05085 -0.00285 144 3PY 0.00485 0.00477 0.01293 0.02064 -0.00665 145 3PZ -0.00815 -0.01338 0.01169 0.02778 0.00496 146 4XX 0.00033 -0.00067 0.00042 0.00044 -0.00012 147 4YY 0.00113 0.00161 -0.00006 -0.00015 0.00033 148 4ZZ -0.00055 -0.00050 -0.00121 -0.00139 -0.00055 149 4XY 0.00137 0.00017 -0.00009 -0.00071 -0.00128 150 4XZ 0.00012 -0.00046 -0.00067 -0.00051 -0.00051 151 4YZ 0.00127 0.00062 -0.00002 -0.00017 -0.00126 152 18 H 1S 0.00045 0.00163 0.00356 0.00648 0.00356 153 2S 0.00001 0.00218 0.00220 0.00729 0.00220 154 19 H 1S -0.00202 -0.00894 0.00248 0.00447 -0.00511 155 2S -0.00284 -0.01062 0.00465 0.00591 -0.00977 156 20 H 1S -0.00805 -0.00416 -0.00511 -0.01065 0.00248 157 2S -0.00435 -0.00116 -0.00977 -0.01718 0.00465 158 21 H 1S -0.00050 -0.00051 -0.00241 -0.00501 -0.00241 159 2S 0.00055 0.00036 -0.00705 -0.01207 -0.00705 160 22 O 1S 0.00030 -0.00252 -0.00177 -0.00270 0.00058 161 2S -0.00116 0.00539 0.00219 0.00417 -0.00069 162 2PX -0.00314 0.00053 0.00117 0.00434 -0.00313 163 2PY -0.00246 0.00903 -0.00040 0.00207 -0.00275 164 2PZ -0.00083 -0.00039 -0.00143 0.00443 -0.00693 165 3S 0.00162 0.01044 0.01642 0.01706 -0.00618 166 3PX -0.00071 0.00212 0.00081 0.00079 -0.00336 167 3PY -0.00216 0.00530 -0.00446 -0.00282 -0.00131 168 3PZ 0.00107 0.00268 -0.00560 -0.00444 -0.00539 169 4XX -0.00078 -0.00088 0.00021 0.00130 0.00001 170 4YY 0.00045 -0.00030 -0.00032 -0.00042 0.00039 171 4ZZ -0.00011 0.00018 -0.00157 -0.00217 0.00029 172 4XY 0.00008 -0.00009 -0.00023 -0.00037 0.00021 173 4XZ 0.00013 -0.00014 -0.00065 -0.00047 0.00001 174 4YZ 0.00054 0.00048 -0.00028 -0.00097 -0.00001 175 23 O 1S 0.00027 0.00064 0.00058 0.00121 -0.00177 176 2S -0.00065 -0.00182 -0.00069 -0.00104 0.00219 177 2PX 0.00042 -0.00851 -0.00313 -0.01765 0.00117 178 2PY -0.00414 -0.00308 0.00275 0.00414 0.00040 179 2PZ 0.00615 0.00134 -0.00693 -0.02058 -0.00143 180 3S -0.00284 -0.00272 -0.00618 -0.01247 0.01642 181 3PX 0.00000 -0.00714 -0.00336 -0.01546 0.00081 182 3PY -0.00403 -0.00308 0.00131 0.00143 0.00446 183 3PZ 0.00529 0.00040 -0.00539 -0.01640 -0.00560 184 4XX -0.00014 0.00008 0.00001 0.00042 0.00021 185 4YY 0.00004 -0.00003 0.00039 0.00062 -0.00032 186 4ZZ 0.00006 -0.00024 0.00029 0.00048 -0.00157 187 4XY 0.00017 -0.00002 -0.00021 -0.00079 0.00023 188 4XZ 0.00000 0.00006 0.00001 0.00008 -0.00065 189 4YZ -0.00008 -0.00028 0.00001 -0.00007 0.00028 106 107 108 109 110 106 2S 0.15893 107 15 C 1S -0.00173 2.04980 108 2S 0.00488 -0.06512 0.34291 109 2PX 0.00484 0.01454 -0.02587 0.42802 110 2PY 0.00067 0.00000 0.00000 0.00000 0.29269 111 2PZ 0.00346 -0.01513 0.02464 0.04321 0.00000 112 3S 0.00721 -0.14988 0.26011 -0.04458 0.00000 113 3PX -0.00266 0.00857 -0.01868 0.15539 0.00000 114 3PY 0.00303 0.00000 0.00000 0.00000 0.07096 115 3PZ -0.00121 -0.01236 0.02304 0.00828 0.00000 116 4XX -0.00102 -0.01782 0.00026 -0.02406 0.00000 117 4YY -0.00017 -0.01312 -0.01025 0.01563 0.00000 118 4ZZ 0.00083 -0.01764 -0.00043 0.01020 0.00000 119 4XY -0.00030 0.00000 0.00000 0.00000 0.02089 120 4XZ 0.00000 -0.00060 0.00098 -0.01141 0.00000 121 4YZ -0.00052 0.00000 0.00000 0.00000 -0.02050 122 16 C 1S -0.00281 -0.00316 0.00672 0.01114 -0.00217 123 2S 0.01140 0.00630 -0.01756 -0.02806 0.00474 124 2PX 0.05155 -0.00913 0.02191 0.02080 -0.03532 125 2PY -0.00981 0.01013 -0.03219 -0.01615 -0.02089 126 2PZ 0.05074 0.00381 -0.01021 -0.02271 0.03815 127 3S 0.00314 0.00669 -0.01117 -0.04028 -0.01438 128 3PX 0.05085 -0.00601 0.01085 0.01474 -0.02862 129 3PY -0.02065 0.00710 -0.01567 -0.00225 -0.02780 130 3PZ 0.02778 0.00104 0.00197 -0.01112 0.02414 131 4XX 0.00044 -0.00035 0.00108 0.00362 0.00023 132 4YY -0.00015 0.00097 -0.00241 -0.00310 0.00266 133 4ZZ -0.00139 -0.00113 0.00264 0.00371 -0.00408 134 4XY 0.00071 0.00146 -0.00346 -0.00387 0.00847 135 4XZ -0.00051 0.00001 -0.00075 -0.00315 0.00029 136 4YZ 0.00017 -0.00168 0.00394 0.00431 -0.00716 137 17 C 1S -0.00321 -0.00316 0.00672 0.01114 0.00217 138 2S 0.00341 0.00630 -0.01756 -0.02806 -0.00474 139 2PX 0.02198 -0.00913 0.02191 0.02080 0.03532 140 2PY 0.00740 -0.01013 0.03219 0.01615 -0.02089 141 2PZ 0.01342 0.00381 -0.01021 -0.02271 -0.03815 142 3S 0.02780 0.00669 -0.01117 -0.04028 0.01438 143 3PX 0.00369 -0.00601 0.01085 0.01474 0.02862 144 3PY -0.00430 -0.00710 0.01567 0.00225 -0.02780 145 3PZ 0.01380 0.00104 0.00197 -0.01112 -0.02414 146 4XX 0.00000 -0.00035 0.00108 0.00362 -0.00023 147 4YY 0.00033 0.00097 -0.00241 -0.00310 -0.00266 148 4ZZ -0.00111 -0.00113 0.00264 0.00371 0.00408 149 4XY -0.00256 -0.00146 0.00346 0.00387 0.00847 150 4XZ -0.00036 0.00001 -0.00075 -0.00315 -0.00029 151 4YZ -0.00282 0.00168 -0.00394 -0.00431 -0.00716 152 18 H 1S 0.00648 -0.05992 0.12294 0.07212 0.00000 153 2S 0.00729 -0.01152 0.03387 0.08275 0.00000 154 19 H 1S -0.01065 -0.00735 0.02026 0.01911 -0.03006 155 2S -0.01718 -0.00777 0.02246 0.02698 -0.03201 156 20 H 1S 0.00447 -0.00735 0.02026 0.01911 0.03006 157 2S 0.00591 -0.00777 0.02246 0.02698 0.03201 158 21 H 1S -0.00501 -0.05970 0.12411 -0.27097 0.00000 159 2S -0.01207 -0.01231 0.03559 -0.21704 0.00000 160 22 O 1S 0.00121 0.00354 -0.00182 -0.01529 -0.02798 161 2S -0.00104 -0.00656 0.00256 0.03726 0.06679 162 2PX -0.01765 0.02524 -0.05126 -0.05313 -0.12290 163 2PY -0.00414 0.05976 -0.13129 -0.13980 -0.21998 164 2PZ -0.02058 -0.02422 0.04939 0.05327 0.13954 165 3S -0.01247 0.02100 -0.05475 0.02477 0.03596 166 3PX -0.01545 0.00730 -0.01640 -0.03748 -0.04931 167 3PY -0.00143 0.03520 -0.07588 -0.08014 -0.13392 168 3PZ -0.01640 -0.00646 0.01411 0.01331 0.06658 169 4XX 0.00042 0.00031 -0.00092 -0.00985 -0.00249 170 4YY 0.00062 -0.00712 0.01322 0.01104 0.01050 171 4ZZ 0.00048 0.00033 -0.00064 0.00019 -0.00109 172 4XY 0.00079 -0.00305 0.00578 -0.00349 0.00263 173 4XZ 0.00008 0.00130 -0.00169 0.00298 -0.00092 174 4YZ 0.00007 0.00368 -0.00687 -0.00514 -0.00522 175 23 O 1S -0.00270 0.00354 -0.00182 -0.01529 0.02798 176 2S 0.00417 -0.00656 0.00256 0.03726 -0.06679 177 2PX 0.00434 0.02524 -0.05126 -0.05313 0.12290 178 2PY -0.00207 -0.05976 0.13129 0.13980 -0.21997 179 2PZ 0.00443 -0.02422 0.04939 0.05328 -0.13955 180 3S 0.01706 0.02100 -0.05475 0.02477 -0.03596 181 3PX 0.00079 0.00730 -0.01640 -0.03748 0.04931 182 3PY 0.00282 -0.03520 0.07588 0.08014 -0.13391 183 3PZ -0.00444 -0.00646 0.01411 0.01331 -0.06659 184 4XX 0.00130 0.00031 -0.00092 -0.00985 0.00249 185 4YY -0.00042 -0.00712 0.01322 0.01104 -0.01050 186 4ZZ -0.00217 0.00033 -0.00064 0.00019 0.00109 187 4XY 0.00037 0.00305 -0.00578 0.00349 0.00263 188 4XZ -0.00047 0.00130 -0.00169 0.00298 0.00092 189 4YZ 0.00097 -0.00368 0.00687 0.00514 -0.00522 111 112 113 114 115 111 2PZ 0.42490 112 3S 0.05593 0.23348 113 3PX 0.01404 -0.01605 0.06206 114 3PY 0.00000 0.00000 0.00000 0.02606 115 3PZ 0.14520 0.02153 0.00376 0.00000 0.06494 116 4XX -0.00912 0.00239 -0.00681 0.00000 0.00048 117 4YY -0.01615 -0.01289 0.00513 0.00000 -0.00463 118 4ZZ 0.02327 0.00319 0.00204 0.00000 0.00357 119 4XY 0.00000 0.00000 0.00000 0.00389 0.00000 120 4XZ 0.01233 0.00369 -0.00378 0.00000 0.00400 121 4YZ 0.00000 0.00000 0.00000 -0.00288 0.00000 122 16 C 1S -0.00866 0.00988 0.00779 -0.00139 -0.00626 123 2S 0.02121 -0.01226 -0.01318 0.00393 0.01180 124 2PX -0.03431 0.04433 0.01209 -0.03155 -0.03282 125 2PY 0.02129 -0.05397 -0.01700 -0.00044 0.02177 126 2PZ 0.00270 -0.00800 -0.01129 0.03294 -0.00870 127 3S 0.03383 0.00698 -0.01714 -0.00616 0.00195 128 3PX -0.02619 0.01789 0.00544 -0.00958 -0.02105 129 3PY 0.00358 -0.02482 -0.00312 -0.00233 0.01080 130 3PZ -0.00501 0.01202 -0.00396 0.00879 -0.01369 131 4XX -0.00250 -0.00051 -0.00005 0.00246 -0.00320 132 4YY 0.00292 -0.00182 -0.00128 -0.00101 0.00132 133 4ZZ -0.00353 0.00211 0.00287 -0.00153 0.00096 134 4XY 0.00433 -0.00259 -0.00192 0.00349 0.00042 135 4XZ 0.00326 0.00119 -0.00119 -0.00166 -0.00022 136 4YZ -0.00376 0.00486 0.00177 -0.00356 -0.00290 137 17 C 1S -0.00866 0.00988 0.00779 0.00139 -0.00626 138 2S 0.02121 -0.01226 -0.01318 -0.00393 0.01180 139 2PX -0.03431 0.04433 0.01209 0.03155 -0.03282 140 2PY -0.02129 0.05397 0.01700 -0.00044 -0.02177 141 2PZ 0.00270 -0.00799 -0.01129 -0.03294 -0.00870 142 3S 0.03383 0.00698 -0.01714 0.00616 0.00195 143 3PX -0.02619 0.01789 0.00544 0.00958 -0.02105 144 3PY -0.00358 0.02482 0.00312 -0.00233 -0.01080 145 3PZ -0.00501 0.01202 -0.00396 -0.00879 -0.01369 146 4XX -0.00250 -0.00051 -0.00005 -0.00246 -0.00320 147 4YY 0.00292 -0.00182 -0.00128 0.00101 0.00132 148 4ZZ -0.00353 0.00211 0.00287 0.00153 0.00096 149 4XY -0.00433 0.00259 0.00192 0.00349 -0.00042 150 4XZ 0.00326 0.00119 -0.00119 0.00166 -0.00022 151 4YZ 0.00376 -0.00486 -0.00177 -0.00356 0.00290 152 18 H 1S 0.26775 0.11639 0.01753 0.00000 0.08284 153 2S 0.21790 0.04307 0.01693 0.00000 0.04490 154 19 H 1S -0.01935 0.02999 0.01340 -0.02407 -0.00664 155 2S -0.03246 0.02716 0.01775 -0.02345 -0.00697 156 20 H 1S -0.01935 0.02999 0.01340 0.02407 -0.00663 157 2S -0.03246 0.02716 0.01775 0.02345 -0.00697 158 21 H 1S -0.06523 0.10660 -0.09600 0.00000 -0.00317 159 2S -0.07291 0.03009 -0.06960 0.00000 0.00209 160 22 O 1S 0.01501 0.02924 0.00403 -0.00234 -0.00333 161 2S -0.03598 -0.07391 -0.00862 0.00203 0.00686 162 2PX 0.05823 -0.03115 0.00239 -0.04750 0.06072 163 2PY 0.14520 -0.09641 -0.05245 -0.01937 0.05203 164 2PZ -0.05261 0.02270 0.04080 0.06254 0.03541 165 3S -0.02664 -0.13767 -0.01708 -0.00629 0.01928 166 3PX 0.01733 -0.00867 0.00190 -0.02068 0.03708 167 3PY 0.08590 -0.05610 -0.03031 -0.00872 0.03009 168 3PZ -0.03964 -0.00201 0.02003 0.03358 0.02610 169 4XX 0.00035 0.00126 -0.00281 -0.00039 0.00025 170 4YY -0.01121 0.00987 0.00395 0.00111 -0.00408 171 4ZZ 0.00932 0.00118 0.00003 0.00049 0.00221 172 4XY -0.00410 0.00446 -0.00213 0.00188 -0.00299 173 4XZ -0.00265 -0.00062 0.00170 0.00024 -0.00123 174 4YZ -0.00220 -0.00523 -0.00267 -0.00254 -0.00263 175 23 O 1S 0.01501 0.02924 0.00403 0.00234 -0.00333 176 2S -0.03598 -0.07391 -0.00862 -0.00203 0.00686 177 2PX 0.05823 -0.03115 0.00239 0.04750 0.06072 178 2PY -0.14520 0.09641 0.05245 -0.01937 -0.05203 179 2PZ -0.05261 0.02270 0.04080 -0.06254 0.03541 180 3S -0.02664 -0.13767 -0.01708 0.00629 0.01928 181 3PX 0.01733 -0.00867 0.00190 0.02068 0.03708 182 3PY -0.08590 0.05610 0.03031 -0.00872 -0.03009 183 3PZ -0.03964 -0.00201 0.02003 -0.03358 0.02610 184 4XX 0.00035 0.00126 -0.00281 0.00039 0.00025 185 4YY -0.01121 0.00987 0.00395 -0.00111 -0.00408 186 4ZZ 0.00932 0.00118 0.00003 -0.00049 0.00221 187 4XY 0.00410 -0.00446 0.00213 0.00188 0.00299 188 4XZ -0.00265 -0.00062 0.00170 -0.00024 -0.00123 189 4YZ 0.00220 0.00523 0.00267 -0.00254 0.00263 116 117 118 119 120 116 4XX 0.00335 117 4YY -0.00124 0.00343 118 4ZZ -0.00166 -0.00138 0.00350 119 4XY 0.00000 0.00000 0.00000 0.00248 120 4XZ 0.00011 -0.00051 0.00014 0.00000 0.00106 121 4YZ 0.00000 0.00000 0.00000 -0.00102 0.00000 122 16 C 1S -0.00162 0.00217 -0.00094 0.00103 0.00005 123 2S 0.00400 -0.00464 0.00176 -0.00239 -0.00046 124 2PX -0.00735 0.00888 -0.00479 0.00015 0.00444 125 2PY -0.00167 0.00517 -0.00206 -0.00067 -0.00026 126 2PZ 0.00611 -0.00718 0.00340 -0.00422 -0.00260 127 3S 0.00033 -0.00421 0.00360 -0.00110 0.00244 128 3PX -0.00299 0.00355 -0.00141 -0.00345 0.00084 129 3PY 0.00046 0.00211 -0.00190 -0.00190 -0.00049 130 3PZ 0.00146 -0.00332 0.00199 0.00079 -0.00028 131 4XX -0.00073 -0.00023 0.00112 0.00018 -0.00044 132 4YY -0.00007 0.00019 -0.00013 0.00054 0.00030 133 4ZZ 0.00058 0.00040 -0.00110 -0.00069 -0.00005 134 4XY -0.00016 -0.00003 0.00034 0.00038 0.00031 135 4XZ -0.00060 0.00024 0.00016 0.00063 0.00052 136 4YZ -0.00033 -0.00008 0.00022 0.00005 -0.00015 137 17 C 1S -0.00162 0.00217 -0.00094 -0.00103 0.00005 138 2S 0.00400 -0.00464 0.00176 0.00239 -0.00046 139 2PX -0.00735 0.00888 -0.00479 -0.00015 0.00444 140 2PY 0.00167 -0.00517 0.00206 -0.00067 0.00026 141 2PZ 0.00611 -0.00718 0.00340 0.00422 -0.00260 142 3S 0.00033 -0.00421 0.00360 0.00110 0.00244 143 3PX -0.00299 0.00355 -0.00141 0.00345 0.00084 144 3PY -0.00046 -0.00211 0.00190 -0.00190 0.00049 145 3PZ 0.00146 -0.00332 0.00199 -0.00079 -0.00028 146 4XX -0.00073 -0.00023 0.00112 -0.00018 -0.00044 147 4YY -0.00007 0.00019 -0.00013 -0.00054 0.00030 148 4ZZ 0.00058 0.00040 -0.00110 0.00069 -0.00005 149 4XY 0.00016 0.00003 -0.00034 0.00038 -0.00031 150 4XZ -0.00060 0.00024 0.00016 -0.00063 0.00052 151 4YZ 0.00033 0.00008 -0.00022 0.00005 0.00015 152 18 H 1S -0.01122 -0.01262 0.02042 0.00000 0.00574 153 2S -0.01622 -0.00902 0.02417 0.00000 0.00383 154 19 H 1S -0.00057 0.00081 -0.00195 -0.00002 0.00069 155 2S 0.00091 0.00129 -0.00371 0.00015 -0.00044 156 20 H 1S -0.00057 0.00081 -0.00195 0.00002 0.00069 157 2S 0.00091 0.00129 -0.00371 -0.00015 -0.00044 158 21 H 1S 0.02033 -0.01191 -0.01176 0.00000 0.00524 159 2S 0.02111 -0.00689 -0.01530 0.00000 0.00338 160 22 O 1S 0.00248 -0.00616 0.00216 -0.00391 0.00149 161 2S -0.00540 0.01471 -0.00417 0.00924 -0.00368 162 2PX 0.02408 -0.01378 -0.00781 0.00689 -0.00133 163 2PY -0.00102 0.00405 -0.00109 -0.01985 0.01286 164 2PZ 0.00834 0.01597 -0.02693 0.01748 0.00133 165 3S -0.00775 0.02322 -0.00867 0.00751 -0.00155 166 3PX 0.01644 -0.00749 -0.00797 0.00701 -0.00097 167 3PY -0.00130 0.00300 -0.00068 -0.01254 0.00776 168 3PZ 0.00819 0.00989 -0.01913 0.01068 0.00088 169 4XX 0.00094 -0.00058 -0.00039 0.00007 0.00035 170 4YY -0.00003 -0.00031 0.00013 0.00082 -0.00098 171 4ZZ -0.00048 -0.00042 0.00081 -0.00036 0.00037 172 4XY -0.00079 0.00053 0.00004 -0.00053 0.00029 173 4XZ -0.00011 0.00031 -0.00027 -0.00012 -0.00004 174 4YZ -0.00001 -0.00060 0.00083 -0.00065 -0.00020 175 23 O 1S 0.00248 -0.00616 0.00216 0.00391 0.00149 176 2S -0.00540 0.01471 -0.00417 -0.00924 -0.00368 177 2PX 0.02408 -0.01377 -0.00781 -0.00689 -0.00133 178 2PY 0.00102 -0.00405 0.00109 -0.01985 -0.01286 179 2PZ 0.00834 0.01597 -0.02693 -0.01749 0.00133 180 3S -0.00775 0.02322 -0.00867 -0.00751 -0.00155 181 3PX 0.01644 -0.00749 -0.00797 -0.00701 -0.00097 182 3PY 0.00130 -0.00300 0.00068 -0.01254 -0.00776 183 3PZ 0.00819 0.00989 -0.01913 -0.01068 0.00088 184 4XX 0.00094 -0.00058 -0.00039 -0.00007 0.00035 185 4YY -0.00003 -0.00031 0.00013 -0.00082 -0.00098 186 4ZZ -0.00048 -0.00042 0.00081 0.00036 0.00037 187 4XY 0.00079 -0.00053 -0.00004 -0.00053 -0.00029 188 4XZ -0.00011 0.00031 -0.00027 0.00012 -0.00004 189 4YZ 0.00001 0.00060 -0.00083 -0.00065 0.00020 121 122 123 124 125 121 4YZ 0.00274 122 16 C 1S 0.00000 2.05255 123 2S -0.00012 -0.06339 0.33288 124 2PX -0.00418 -0.01203 0.01861 0.34621 125 2PY 0.00250 -0.00506 0.01302 -0.04015 0.43070 126 2PZ -0.00145 0.01511 -0.02721 0.02221 0.02891 127 3S 0.00005 -0.17203 0.27248 0.09834 -0.01737 128 3PX -0.00061 -0.01878 0.03665 0.16688 -0.03758 129 3PY 0.00299 -0.00736 0.00397 -0.05103 0.12294 130 3PZ -0.00240 0.00255 -0.01649 0.08141 -0.01243 131 4XX 0.00103 -0.01177 -0.01308 -0.01163 -0.00701 132 4YY -0.00052 -0.01725 -0.00101 0.00623 0.01259 133 4ZZ -0.00028 -0.01571 -0.00410 0.00184 -0.01309 134 4XY -0.00013 0.00020 -0.00034 -0.00113 -0.00496 135 4XZ -0.00022 0.00345 -0.00809 0.01110 0.00916 136 4YZ 0.00040 -0.00424 0.00860 0.01262 -0.00768 137 17 C 1S 0.00000 0.01947 -0.04084 -0.01341 -0.08014 138 2S 0.00012 -0.04084 0.07591 0.02567 0.16581 139 2PX 0.00418 -0.01341 0.02567 0.16094 -0.01945 140 2PY 0.00250 0.08014 -0.16581 0.01945 -0.32465 141 2PZ 0.00145 -0.01090 0.01981 0.09938 -0.03387 142 3S -0.00005 0.00180 0.02807 0.06625 0.12945 143 3PX 0.00061 -0.00344 0.00368 0.09438 -0.01941 144 3PY 0.00299 0.00105 -0.01885 0.02433 -0.10079 145 3PZ 0.00240 -0.00661 0.01818 0.06395 -0.03851 146 4XX -0.00103 0.00325 -0.00759 0.00048 -0.01313 147 4YY 0.00052 -0.00653 0.01193 -0.00092 0.00799 148 4ZZ 0.00028 0.00346 -0.00793 -0.00233 -0.01007 149 4XY -0.00013 0.00007 -0.00037 -0.01259 0.00563 150 4XZ 0.00022 -0.00133 0.00307 0.00017 0.00448 151 4YZ 0.00040 -0.00081 0.00171 -0.00512 -0.00038 152 18 H 1S 0.00000 -0.00289 0.00540 -0.00914 -0.00538 153 2S 0.00000 -0.00328 0.00505 0.00169 -0.00260 154 19 H 1S -0.00063 -0.06820 0.13566 0.06570 -0.16921 155 2S -0.00038 -0.02048 0.04650 0.03957 -0.13845 156 20 H 1S 0.00063 0.01654 -0.03648 -0.00832 -0.04030 157 2S 0.00038 0.02040 -0.04063 -0.02370 -0.06419 158 21 H 1S 0.00000 -0.00481 0.01265 -0.02126 -0.00579 159 2S 0.00000 -0.00436 0.01310 -0.04174 0.00555 160 22 O 1S 0.00458 -0.00177 0.00495 -0.00446 0.00162 161 2S -0.01105 0.00716 -0.01548 0.01396 -0.01727 162 2PX 0.01703 0.01256 -0.02728 -0.07077 -0.03230 163 2PY 0.02151 -0.02271 0.05458 -0.02755 0.05834 164 2PZ 0.00888 0.00200 -0.00189 -0.04870 0.05123 165 3S -0.00926 -0.00338 -0.00398 0.01643 0.03056 166 3PX 0.01035 0.00941 -0.02046 -0.05944 -0.01728 167 3PY 0.01359 -0.01410 0.03728 -0.01911 0.03997 168 3PZ 0.00787 0.00235 -0.00388 -0.04773 0.04115 169 4XX 0.00048 0.00027 0.00014 0.00368 -0.00416 170 4YY -0.00102 0.00139 -0.00234 0.00091 -0.00258 171 4ZZ 0.00007 0.00102 -0.00120 -0.00256 -0.00250 172 4XY -0.00044 0.00070 -0.00154 0.00303 -0.00608 173 4XZ 0.00032 0.00006 -0.00020 0.00117 -0.00136 174 4YZ -0.00038 -0.00092 0.00213 -0.00170 0.00473 175 23 O 1S -0.00458 0.00537 -0.00687 0.02953 0.00841 176 2S 0.01105 -0.00988 0.01073 -0.06593 -0.03094 177 2PX -0.01703 -0.05683 0.12361 -0.16692 -0.10825 178 2PY 0.02151 -0.02548 0.05165 -0.09860 -0.03172 179 2PZ -0.00888 0.03477 -0.06520 0.17837 0.07011 180 3S 0.00926 0.01404 -0.02641 -0.06859 0.04043 181 3PX -0.01035 -0.02658 0.06226 -0.10153 -0.05728 182 3PY 0.01359 -0.01946 0.03878 -0.07144 -0.02506 183 3PZ -0.00787 0.01512 -0.02656 0.08267 0.04075 184 4XX -0.00048 -0.00369 0.00604 0.00642 -0.00823 185 4YY 0.00102 -0.00126 0.00120 -0.00465 -0.00050 186 4ZZ -0.00007 -0.00089 0.00060 -0.00146 -0.00487 187 4XY -0.00044 -0.00464 0.00907 -0.00889 0.00340 188 4XZ -0.00032 0.00489 -0.00780 0.00431 0.00310 189 4YZ -0.00038 0.00277 -0.00505 0.01130 -0.00410 126 127 128 129 130 126 2PZ 0.37881 127 3S -0.02416 0.30239 128 3PX 0.08371 0.06511 0.10752 129 3PY -0.01636 0.00109 -0.03278 0.05313 130 3PZ 0.16317 0.01250 0.06592 -0.02381 0.09326 131 4XX 0.01131 -0.01110 -0.00269 -0.00135 0.00336 132 4YY -0.00557 -0.00002 -0.00019 0.00171 -0.00081 133 4ZZ -0.00482 -0.00313 0.00075 -0.00225 -0.00239 134 4XY 0.01134 -0.00070 0.00125 -0.00301 0.00445 135 4XZ -0.00702 -0.00261 0.00148 0.00128 0.00019 136 4YZ -0.00937 0.01358 0.00464 -0.00212 -0.00057 137 17 C 1S -0.01090 0.00180 -0.00344 -0.00105 -0.00661 138 2S 0.01981 0.02807 0.00368 0.01885 0.01818 139 2PX 0.09938 0.06625 0.09438 -0.02433 0.06394 140 2PY 0.03386 -0.12945 0.01941 -0.10079 0.03850 141 2PZ 0.11879 0.07405 0.05076 -0.02188 0.08164 142 3S 0.07406 -0.02100 0.03377 -0.01284 0.04415 143 3PX 0.05076 0.03377 0.04460 -0.01943 0.04240 144 3PY 0.02187 0.01284 0.01943 -0.02619 0.02098 145 3PZ 0.08164 0.04415 0.04241 -0.02098 0.04847 146 4XX -0.00040 -0.00418 0.00003 -0.00386 0.00090 147 4YY 0.00075 0.01065 0.00134 0.00339 -0.00132 148 4ZZ -0.00379 -0.00858 -0.00231 -0.00223 -0.00162 149 4XY -0.00419 -0.00612 -0.00720 0.00241 -0.00480 150 4XZ 0.00034 0.00378 0.00085 0.00203 -0.00145 151 4YZ -0.01435 0.00373 -0.00559 0.00309 -0.00723 152 18 H 1S 0.00812 0.02076 -0.00568 -0.00940 0.00565 153 2S 0.02480 0.03060 0.00488 -0.01304 0.01770 154 19 H 1S -0.19077 0.13824 0.01463 -0.04024 -0.06420 155 2S -0.15451 0.05310 -0.00285 -0.02943 -0.05323 156 20 H 1S 0.00080 -0.06701 0.00165 -0.02500 0.00188 157 2S 0.00812 -0.06604 -0.00133 -0.02217 -0.00048 158 21 H 1S 0.01275 0.00896 -0.01225 -0.00075 0.00418 159 2S 0.00478 -0.00499 -0.02404 0.00973 -0.00721 160 22 O 1S 0.00858 -0.01912 0.00040 -0.00866 0.00034 161 2S -0.01590 0.03953 0.00018 0.01381 0.00415 162 2PX -0.04712 -0.05189 -0.06280 0.00293 -0.01591 163 2PY 0.01346 0.11865 0.01224 0.07006 -0.02566 164 2PZ -0.05768 -0.02257 -0.04580 0.04206 -0.04493 165 3S -0.06695 0.06992 -0.00817 0.04760 -0.02588 166 3PX -0.04762 -0.04012 -0.05125 0.00649 -0.02007 167 3PY 0.01436 0.07833 0.00943 0.04593 -0.01464 168 3PZ -0.05146 -0.02363 -0.03962 0.03261 -0.03820 169 4XX 0.00503 0.00129 0.00203 -0.00205 0.00335 170 4YY 0.00125 -0.00668 0.00009 -0.00370 0.00190 171 4ZZ -0.00056 -0.00190 -0.00056 -0.00107 -0.00081 172 4XY 0.00086 0.00119 0.00307 -0.00152 0.00019 173 4XZ -0.00027 0.00024 0.00084 0.00009 -0.00043 174 4YZ 0.00040 0.00089 -0.00049 0.00056 0.00013 175 23 O 1S -0.02341 0.03365 -0.00189 0.00926 0.00881 176 2S 0.05397 -0.08565 0.00925 -0.02010 -0.02161 177 2PX 0.18560 0.03605 -0.02842 -0.01432 0.03341 178 2PY 0.06630 0.06384 0.00554 0.04340 0.00081 179 2PZ -0.08074 -0.07378 0.06530 0.02437 -0.03147 180 3S 0.04689 -0.14501 0.00221 -0.00576 -0.03622 181 3PX 0.09088 0.00385 -0.02098 -0.00217 0.00671 182 3PY 0.04914 0.04535 0.00213 0.02759 0.00144 183 3PZ -0.05660 -0.04402 0.02602 0.01818 -0.02935 184 4XX 0.00739 0.00707 0.00484 -0.00343 0.00474 185 4YY 0.00290 0.00255 -0.00001 0.00238 0.00049 186 4ZZ -0.00969 0.00268 -0.00309 -0.00096 -0.00347 187 4XY 0.01056 0.00459 -0.00132 0.00224 0.00177 188 4XZ 0.00128 -0.00512 0.00089 0.00065 0.00174 189 4YZ -0.00184 -0.00392 0.00492 -0.00177 0.00035 131 132 133 134 135 131 4XX 0.00284 132 4YY -0.00081 0.00124 133 4ZZ -0.00057 -0.00025 0.00166 134 4XY 0.00068 -0.00016 -0.00042 0.00146 135 4XZ -0.00036 0.00086 -0.00048 -0.00038 0.00147 136 4YZ -0.00059 0.00001 0.00006 -0.00045 0.00023 137 17 C 1S 0.00325 -0.00653 0.00346 -0.00007 -0.00133 138 2S -0.00759 0.01193 -0.00793 0.00037 0.00307 139 2PX 0.00048 -0.00092 -0.00233 0.01259 0.00017 140 2PY 0.01313 -0.00799 0.01007 0.00563 -0.00448 141 2PZ -0.00040 0.00075 -0.00379 0.00419 0.00034 142 3S -0.00418 0.01065 -0.00858 0.00612 0.00378 143 3PX 0.00003 0.00134 -0.00231 0.00720 0.00085 144 3PY 0.00386 -0.00339 0.00223 0.00241 -0.00203 145 3PZ 0.00090 -0.00132 -0.00162 0.00480 -0.00145 146 4XX 0.00057 -0.00034 0.00024 -0.00016 0.00000 147 4YY -0.00034 -0.00010 -0.00026 0.00009 -0.00023 148 4ZZ 0.00024 -0.00026 0.00074 0.00004 -0.00019 149 4XY 0.00016 -0.00009 -0.00004 0.00000 -0.00036 150 4XZ 0.00000 -0.00023 -0.00019 0.00036 0.00004 151 4YZ -0.00047 0.00007 0.00022 -0.00055 0.00017 152 18 H 1S 0.00242 0.00013 -0.00360 0.00183 0.00183 153 2S 0.00650 0.00011 -0.00765 0.00380 0.00289 154 19 H 1S -0.01030 -0.00133 0.00728 -0.00491 -0.00219 155 2S -0.00710 -0.00114 0.00780 -0.00503 -0.00106 156 20 H 1S 0.00286 0.00067 0.00200 0.00225 -0.00135 157 2S 0.00382 -0.00248 0.00396 0.00105 -0.00287 158 21 H 1S -0.00346 0.00043 0.00137 -0.00038 -0.00037 159 2S -0.00561 0.00070 0.00375 -0.00106 -0.00177 160 22 O 1S 0.00017 -0.00113 -0.00041 0.00019 -0.00019 161 2S -0.00013 0.00172 0.00103 -0.00005 0.00040 162 2PX -0.00181 0.00322 0.00311 -0.00571 -0.00061 163 2PY 0.00128 -0.00525 -0.00022 0.00352 -0.00129 164 2PZ -0.00149 -0.00191 0.00376 0.00395 -0.00219 165 3S -0.00333 0.00284 0.00163 -0.00090 0.00219 166 3PX -0.00099 0.00167 0.00235 -0.00407 -0.00033 167 3PY 0.00137 -0.00393 -0.00032 0.00219 -0.00114 168 3PZ -0.00131 -0.00071 0.00283 0.00122 -0.00133 169 4XX -0.00005 0.00009 -0.00001 0.00046 -0.00004 170 4YY 0.00012 0.00005 0.00004 -0.00039 -0.00013 171 4ZZ 0.00028 -0.00010 -0.00004 0.00010 0.00003 172 4XY 0.00034 -0.00045 0.00018 0.00033 -0.00009 173 4XZ 0.00007 -0.00027 0.00014 0.00002 -0.00007 174 4YZ -0.00012 0.00028 -0.00037 -0.00037 0.00016 175 23 O 1S -0.00408 0.00187 -0.00015 -0.00472 0.00482 176 2S 0.01018 -0.00417 0.00085 0.01094 -0.01112 177 2PX -0.00967 -0.00837 0.01394 0.00470 -0.02047 178 2PY 0.01247 -0.01669 0.00483 -0.01114 -0.01396 179 2PZ -0.02966 0.00734 0.02319 -0.01508 0.00360 180 3S 0.00914 -0.00037 -0.00054 0.01372 -0.00833 181 3PX -0.00838 -0.00484 0.01121 0.00028 -0.01239 182 3PY 0.00827 -0.01108 0.00301 -0.00645 -0.00952 183 3PZ -0.02041 0.00453 0.01586 -0.00910 0.00057 184 4XX -0.00053 -0.00009 0.00032 0.00036 -0.00026 185 4YY 0.00073 -0.00086 0.00021 -0.00086 -0.00067 186 4ZZ -0.00006 0.00012 -0.00011 0.00000 0.00029 187 4XY -0.00044 -0.00033 0.00031 0.00003 -0.00095 188 4XZ -0.00015 0.00020 0.00014 -0.00023 0.00045 189 4YZ -0.00104 0.00016 0.00112 -0.00036 0.00013 136 137 138 139 140 136 4YZ 0.00192 137 17 C 1S 0.00081 2.05255 138 2S -0.00171 -0.06339 0.33288 139 2PX 0.00512 -0.01203 0.01861 0.34621 140 2PY -0.00038 0.00506 -0.01302 0.04015 0.43070 141 2PZ 0.01435 0.01511 -0.02721 0.02221 -0.02891 142 3S -0.00373 -0.17203 0.27248 0.09835 0.01737 143 3PX 0.00559 -0.01878 0.03665 0.16688 0.03758 144 3PY 0.00309 0.00736 -0.00397 0.05103 0.12294 145 3PZ 0.00723 0.00255 -0.01649 0.08141 0.01243 146 4XX 0.00047 -0.01177 -0.01308 -0.01163 0.00700 147 4YY -0.00007 -0.01725 -0.00101 0.00623 -0.01259 148 4ZZ -0.00022 -0.01571 -0.00410 0.00184 0.01309 149 4XY -0.00055 -0.00020 0.00034 0.00113 -0.00496 150 4XZ -0.00017 0.00345 -0.00809 0.01110 -0.00916 151 4YZ 0.00062 0.00424 -0.00860 -0.01262 -0.00768 152 18 H 1S 0.00070 -0.00289 0.00540 -0.00914 0.00538 153 2S 0.00148 -0.00328 0.00505 0.00169 0.00260 154 19 H 1S 0.01375 0.01654 -0.03648 -0.00832 0.04030 155 2S 0.00999 0.02040 -0.04063 -0.02370 0.06419 156 20 H 1S -0.00732 -0.06820 0.13566 0.06571 0.16922 157 2S -0.00649 -0.02048 0.04650 0.03957 0.13845 158 21 H 1S -0.00170 -0.00481 0.01265 -0.02126 0.00579 159 2S -0.00353 -0.00436 0.01310 -0.04174 -0.00555 160 22 O 1S -0.00025 0.00537 -0.00687 0.02953 -0.00841 161 2S 0.00048 -0.00988 0.01073 -0.06593 0.03094 162 2PX 0.00497 -0.05683 0.12361 -0.16692 0.10825 163 2PY -0.00300 0.02548 -0.05164 0.09860 -0.03172 164 2PZ -0.00360 0.03477 -0.06520 0.17837 -0.07011 165 3S 0.00023 0.01404 -0.02641 -0.06859 -0.04043 166 3PX 0.00223 -0.02658 0.06226 -0.10153 0.05728 167 3PY -0.00193 0.01946 -0.03878 0.07144 -0.02506 168 3PZ -0.00308 0.01512 -0.02656 0.08267 -0.04075 169 4XX 0.00020 -0.00369 0.00605 0.00641 0.00823 170 4YY 0.00029 -0.00126 0.00120 -0.00465 0.00050 171 4ZZ -0.00046 -0.00089 0.00060 -0.00146 0.00487 172 4XY -0.00023 0.00464 -0.00907 0.00889 0.00340 173 4XZ 0.00020 0.00489 -0.00780 0.00431 -0.00310 174 4YZ -0.00002 -0.00277 0.00504 -0.01130 -0.00410 175 23 O 1S 0.00418 -0.00177 0.00495 -0.00446 -0.00162 176 2S -0.00916 0.00716 -0.01548 0.01396 0.01727 177 2PX -0.01404 0.01256 -0.02728 -0.07077 0.03231 178 2PY 0.00988 0.02271 -0.05458 0.02755 0.05834 179 2PZ -0.00086 0.00200 -0.00190 -0.04870 -0.05123 180 3S -0.01643 -0.00338 -0.00398 0.01643 -0.03056 181 3PX -0.00876 0.00941 -0.02046 -0.05944 0.01728 182 3PY 0.00552 0.01410 -0.03728 0.01911 0.03997 183 3PZ -0.00239 0.00235 -0.00388 -0.04773 -0.04115 184 4XX 0.00009 0.00027 0.00014 0.00368 0.00416 185 4YY 0.00082 0.00139 -0.00234 0.00091 0.00258 186 4ZZ 0.00035 0.00102 -0.00120 -0.00256 0.00250 187 4XY -0.00054 -0.00070 0.00154 -0.00303 -0.00608 188 4XZ -0.00007 0.00006 -0.00020 0.00117 0.00136 189 4YZ 0.00011 0.00092 -0.00213 0.00170 0.00473 141 142 143 144 145 141 2PZ 0.37881 142 3S -0.02415 0.30239 143 3PX 0.08371 0.06511 0.10752 144 3PY 0.01636 -0.00109 0.03278 0.05313 145 3PZ 0.16317 0.01250 0.06592 0.02381 0.09326 146 4XX 0.01131 -0.01110 -0.00269 0.00135 0.00336 147 4YY -0.00557 -0.00002 -0.00019 -0.00171 -0.00081 148 4ZZ -0.00482 -0.00313 0.00075 0.00225 -0.00239 149 4XY -0.01134 0.00070 -0.00125 -0.00301 -0.00445 150 4XZ -0.00702 -0.00261 0.00148 -0.00128 0.00019 151 4YZ 0.00937 -0.01358 -0.00464 -0.00212 0.00057 152 18 H 1S 0.00812 0.02076 -0.00568 0.00940 0.00565 153 2S 0.02480 0.03060 0.00488 0.01304 0.01770 154 19 H 1S 0.00080 -0.06701 0.00165 0.02500 0.00188 155 2S 0.00813 -0.06604 -0.00133 0.02217 -0.00048 156 20 H 1S -0.19077 0.13824 0.01463 0.04024 -0.06420 157 2S -0.15450 0.05310 -0.00285 0.02943 -0.05323 158 21 H 1S 0.01275 0.00896 -0.01225 0.00076 0.00418 159 2S 0.00478 -0.00499 -0.02404 -0.00973 -0.00721 160 22 O 1S -0.02341 0.03365 -0.00189 -0.00926 0.00881 161 2S 0.05397 -0.08565 0.00925 0.02010 -0.02161 162 2PX 0.18561 0.03605 -0.02842 0.01432 0.03341 163 2PY -0.06630 -0.06384 -0.00554 0.04341 -0.00080 164 2PZ -0.08074 -0.07378 0.06530 -0.02437 -0.03147 165 3S 0.04689 -0.14501 0.00221 0.00576 -0.03622 166 3PX 0.09088 0.00385 -0.02098 0.00217 0.00671 167 3PY -0.04914 -0.04535 -0.00214 0.02760 -0.00144 168 3PZ -0.05660 -0.04402 0.02602 -0.01818 -0.02935 169 4XX 0.00739 0.00707 0.00484 0.00343 0.00474 170 4YY 0.00290 0.00255 -0.00001 -0.00238 0.00049 171 4ZZ -0.00969 0.00268 -0.00309 0.00096 -0.00347 172 4XY -0.01056 -0.00459 0.00132 0.00224 -0.00177 173 4XZ 0.00128 -0.00512 0.00089 -0.00065 0.00174 174 4YZ 0.00184 0.00392 -0.00492 -0.00177 -0.00035 175 23 O 1S 0.00858 -0.01912 0.00040 0.00866 0.00034 176 2S -0.01590 0.03953 0.00018 -0.01381 0.00415 177 2PX -0.04711 -0.05189 -0.06280 -0.00293 -0.01591 178 2PY -0.01346 -0.11865 -0.01224 0.07006 0.02567 179 2PZ -0.05768 -0.02257 -0.04580 -0.04206 -0.04493 180 3S -0.06695 0.06991 -0.00817 -0.04760 -0.02588 181 3PX -0.04762 -0.04012 -0.05125 -0.00649 -0.02007 182 3PY -0.01436 -0.07833 -0.00943 0.04593 0.01465 183 3PZ -0.05146 -0.02363 -0.03962 -0.03260 -0.03820 184 4XX 0.00503 0.00129 0.00203 0.00205 0.00335 185 4YY 0.00125 -0.00668 0.00009 0.00370 0.00190 186 4ZZ -0.00056 -0.00190 -0.00056 0.00107 -0.00081 187 4XY -0.00086 -0.00119 -0.00307 -0.00152 -0.00019 188 4XZ -0.00027 0.00024 0.00084 -0.00009 -0.00043 189 4YZ -0.00040 -0.00089 0.00049 0.00056 -0.00013 146 147 148 149 150 146 4XX 0.00284 147 4YY -0.00081 0.00124 148 4ZZ -0.00057 -0.00025 0.00166 149 4XY -0.00068 0.00016 0.00042 0.00146 150 4XZ -0.00036 0.00086 -0.00048 0.00038 0.00147 151 4YZ 0.00059 -0.00001 -0.00006 -0.00045 -0.00023 152 18 H 1S 0.00242 0.00013 -0.00360 -0.00183 0.00183 153 2S 0.00650 0.00011 -0.00765 -0.00380 0.00289 154 19 H 1S 0.00286 0.00066 0.00200 -0.00225 -0.00135 155 2S 0.00382 -0.00248 0.00396 -0.00105 -0.00287 156 20 H 1S -0.01030 -0.00133 0.00728 0.00491 -0.00219 157 2S -0.00710 -0.00114 0.00780 0.00503 -0.00106 158 21 H 1S -0.00346 0.00043 0.00137 0.00038 -0.00037 159 2S -0.00561 0.00070 0.00375 0.00106 -0.00177 160 22 O 1S -0.00408 0.00187 -0.00015 0.00472 0.00482 161 2S 0.01018 -0.00417 0.00085 -0.01094 -0.01112 162 2PX -0.00967 -0.00837 0.01394 -0.00470 -0.02047 163 2PY -0.01247 0.01669 -0.00483 -0.01114 0.01396 164 2PZ -0.02966 0.00734 0.02319 0.01508 0.00360 165 3S 0.00915 -0.00037 -0.00054 -0.01372 -0.00833 166 3PX -0.00838 -0.00484 0.01121 -0.00028 -0.01239 167 3PY -0.00827 0.01108 -0.00301 -0.00645 0.00952 168 3PZ -0.02041 0.00453 0.01586 0.00910 0.00057 169 4XX -0.00053 -0.00009 0.00032 -0.00036 -0.00026 170 4YY 0.00073 -0.00086 0.00021 0.00086 -0.00067 171 4ZZ -0.00006 0.00012 -0.00011 0.00000 0.00029 172 4XY 0.00044 0.00033 -0.00031 0.00003 0.00095 173 4XZ -0.00015 0.00020 0.00014 0.00023 0.00045 174 4YZ 0.00104 -0.00016 -0.00112 -0.00036 -0.00013 175 23 O 1S 0.00017 -0.00113 -0.00041 -0.00019 -0.00019 176 2S -0.00013 0.00172 0.00103 0.00005 0.00040 177 2PX -0.00181 0.00322 0.00311 0.00571 -0.00061 178 2PY -0.00128 0.00525 0.00022 0.00352 0.00129 179 2PZ -0.00149 -0.00191 0.00376 -0.00395 -0.00219 180 3S -0.00333 0.00284 0.00163 0.00090 0.00219 181 3PX -0.00099 0.00167 0.00235 0.00407 -0.00033 182 3PY -0.00137 0.00393 0.00032 0.00219 0.00114 183 3PZ -0.00131 -0.00071 0.00283 -0.00122 -0.00133 184 4XX -0.00005 0.00009 -0.00001 -0.00046 -0.00004 185 4YY 0.00012 0.00005 0.00004 0.00039 -0.00013 186 4ZZ 0.00028 -0.00010 -0.00004 -0.00010 0.00003 187 4XY -0.00034 0.00045 -0.00018 0.00033 0.00009 188 4XZ 0.00007 -0.00027 0.00014 -0.00002 -0.00007 189 4YZ 0.00012 -0.00028 0.00037 -0.00037 -0.00016 151 152 153 154 155 151 4YZ 0.00192 152 18 H 1S -0.00070 0.22401 153 2S -0.00148 0.18438 0.19876 154 19 H 1S 0.00732 -0.00729 -0.01840 0.21549 155 2S 0.00649 -0.01728 -0.03271 0.15285 0.12397 156 20 H 1S -0.01375 -0.00729 -0.01840 -0.01120 -0.00665 157 2S -0.00999 -0.01728 -0.03271 -0.00665 0.00087 158 21 H 1S 0.00170 -0.04299 -0.08902 -0.00083 0.00157 159 2S 0.00353 -0.08220 -0.12033 -0.00207 0.00584 160 22 O 1S -0.00418 0.00889 0.00532 -0.00352 -0.00324 161 2S 0.00916 -0.02014 -0.01017 0.00990 0.00967 162 2PX 0.01404 -0.02513 -0.08188 0.02878 0.05949 163 2PY 0.00988 0.01452 0.02792 -0.01996 -0.04326 164 2PZ 0.00086 -0.07388 -0.15913 -0.00586 0.00656 165 3S 0.01643 -0.04561 -0.02896 0.01898 0.01363 166 3PX 0.00876 -0.02838 -0.07367 0.02012 0.04089 167 3PY 0.00552 0.00975 0.01833 -0.01569 -0.03098 168 3PZ 0.00239 -0.06366 -0.12024 -0.00329 0.00721 169 4XX -0.00009 -0.00188 -0.00272 -0.00004 0.00016 170 4YY -0.00082 0.00010 -0.00145 0.00060 0.00204 171 4ZZ -0.00035 0.00617 0.00636 -0.00074 -0.00140 172 4XY -0.00054 0.00032 0.00176 0.00076 -0.00066 173 4XZ 0.00007 -0.00215 -0.00178 0.00092 0.00084 174 4YZ 0.00011 -0.00169 0.00307 -0.00109 -0.00143 175 23 O 1S 0.00025 0.00889 0.00532 0.01458 0.01571 176 2S -0.00048 -0.02014 -0.01017 -0.02981 -0.03188 177 2PX -0.00497 -0.02513 -0.08188 -0.01400 -0.01597 178 2PY -0.00300 -0.01452 -0.02791 0.01736 0.02196 179 2PZ 0.00360 -0.07388 -0.15913 0.04333 0.07309 180 3S -0.00023 -0.04561 -0.02896 -0.07740 -0.06865 181 3PX -0.00223 -0.02838 -0.07367 -0.00236 0.00175 182 3PY -0.00193 -0.00975 -0.01833 0.00923 0.01053 183 3PZ 0.00308 -0.06366 -0.12024 0.03206 0.04918 184 4XX -0.00020 -0.00188 -0.00272 0.00288 0.00109 185 4YY -0.00029 0.00010 -0.00145 0.00091 0.00186 186 4ZZ 0.00046 0.00617 0.00636 0.00570 0.00403 187 4XY -0.00023 -0.00032 -0.00176 -0.00313 -0.00327 188 4XZ -0.00020 -0.00215 -0.00178 -0.00366 -0.00123 189 4YZ -0.00002 0.00169 -0.00307 0.00319 0.00428 156 157 158 159 160 156 20 H 1S 0.21549 157 2S 0.15285 0.12397 158 21 H 1S -0.00083 0.00157 0.22350 159 2S -0.00207 0.00584 0.17400 0.16574 160 22 O 1S 0.01458 0.01571 0.01026 0.00569 2.07557 161 2S -0.02981 -0.03188 -0.02490 -0.01481 -0.17799 162 2PX -0.01400 -0.01597 0.06500 0.11693 0.01251 163 2PY -0.01736 -0.02196 0.01387 0.03138 -0.03973 164 2PZ 0.04333 0.07309 0.02892 0.07569 -0.00479 165 3S -0.07740 -0.06865 -0.04015 -0.01084 -0.24523 166 3PX -0.00236 0.00175 0.05426 0.08764 0.00937 167 3PY -0.00923 -0.01053 0.00600 0.01562 -0.02573 168 3PZ 0.03206 0.04918 0.03095 0.06851 -0.00453 169 4XX 0.00288 0.00109 0.00638 0.00588 -0.01520 170 4YY 0.00091 0.00186 -0.00047 -0.00281 -0.01267 171 4ZZ 0.00570 0.00403 -0.00214 -0.00286 -0.01397 172 4XY 0.00313 0.00327 0.00191 -0.00179 -0.00150 173 4XZ -0.00366 -0.00123 -0.00194 -0.00098 0.00372 174 4YZ -0.00319 -0.00428 -0.00018 -0.00080 0.00139 175 23 O 1S -0.00352 -0.00324 0.01026 0.00569 0.00092 176 2S 0.00990 0.00967 -0.02490 -0.01481 -0.00175 177 2PX 0.02878 0.05949 0.06500 0.11693 0.00451 178 2PY 0.01996 0.04326 -0.01387 -0.03138 0.01104 179 2PZ -0.00586 0.00657 0.02892 0.07569 -0.00933 180 3S 0.01898 0.01363 -0.04015 -0.01084 -0.01295 181 3PX 0.02012 0.04089 0.05426 0.08764 0.00662 182 3PY 0.01569 0.03098 -0.00600 -0.01562 0.00453 183 3PZ -0.00329 0.00722 0.03095 0.06851 -0.01027 184 4XX -0.00004 0.00016 0.00638 0.00588 0.00031 185 4YY 0.00060 0.00204 -0.00047 -0.00281 0.00035 186 4ZZ -0.00074 -0.00140 -0.00214 -0.00286 -0.00024 187 4XY -0.00076 0.00066 -0.00191 0.00179 0.00079 188 4XZ 0.00092 0.00084 -0.00194 -0.00098 -0.00022 189 4YZ 0.00109 0.00143 0.00018 0.00080 -0.00075 161 162 163 164 165 161 2S 0.50359 162 2PX -0.02849 0.64790 163 2PY 0.07464 -0.02589 0.66561 164 2PZ 0.00377 0.13783 0.04100 0.71653 165 3S 0.59250 -0.04940 0.21999 0.05278 0.75617 166 3PX -0.02092 0.40598 -0.03490 0.15871 -0.03228 167 3PY 0.04922 -0.03540 0.42234 0.03767 0.14006 168 3PZ 0.00465 0.14600 0.04617 0.46283 0.04140 169 4XX -0.00285 0.01348 0.00530 0.00322 -0.00421 170 4YY -0.00833 -0.00249 -0.04105 -0.00244 -0.01835 171 4ZZ -0.00547 -0.00533 0.00589 -0.00732 -0.00646 172 4XY 0.00344 -0.02796 0.00808 -0.00450 0.00490 173 4XZ -0.00792 -0.00237 0.00090 0.00742 -0.00741 174 4YZ -0.00292 -0.00402 -0.00308 -0.02923 -0.00413 175 23 O 1S -0.00175 0.00451 -0.01104 -0.00933 -0.01295 176 2S 0.00434 -0.00772 0.02888 0.01774 0.02676 177 2PX -0.00772 0.00553 0.00092 0.01624 -0.03679 178 2PY -0.02888 -0.00092 0.13550 0.00573 -0.05940 179 2PZ 0.01774 0.01624 -0.00573 0.00703 0.07070 180 3S 0.02676 -0.03678 0.05940 0.07071 0.08394 181 3PX -0.01438 0.00625 0.00134 0.00569 -0.02854 182 3PY -0.01241 -0.00193 0.10449 0.01084 -0.02904 183 3PZ 0.02059 0.00999 -0.00173 0.01674 0.05951 184 4XX -0.00032 0.00140 0.00226 -0.00269 -0.00148 185 4YY -0.00120 -0.00051 -0.00223 0.00072 -0.00513 186 4ZZ 0.00068 0.00158 0.00197 -0.00342 0.00135 187 4XY -0.00193 0.00037 0.00332 0.00069 -0.00244 188 4XZ 0.00068 -0.00132 -0.00299 0.00072 0.00058 189 4YZ 0.00177 0.00020 -0.00194 0.00060 0.00257 166 167 168 169 170 166 3PX 0.26577 167 3PY -0.03228 0.26979 168 3PZ 0.13780 0.03457 0.30852 169 4XX 0.00785 0.00286 0.00301 0.00104 170 4YY -0.00029 -0.02560 -0.00326 -0.00033 0.00294 171 4ZZ -0.00401 0.00371 -0.00472 0.00002 -0.00023 172 4XY -0.01726 0.00594 -0.00506 -0.00037 -0.00030 173 4XZ -0.00077 0.00087 0.00424 -0.00009 0.00005 174 4YZ -0.00508 -0.00252 -0.01812 -0.00023 0.00015 175 23 O 1S 0.00662 -0.00453 -0.01027 0.00031 0.00035 176 2S -0.01438 0.01241 0.02059 -0.00032 -0.00120 177 2PX 0.00625 0.00193 0.00999 0.00140 -0.00051 178 2PY -0.00134 0.10449 0.00174 -0.00226 0.00223 179 2PZ 0.00569 -0.01084 0.01674 -0.00269 0.00072 180 3S -0.02854 0.02904 0.05952 -0.00148 -0.00513 181 3PX 0.00659 0.00116 0.00632 0.00031 0.00009 182 3PY -0.00116 0.07828 0.00618 -0.00118 0.00014 183 3PZ 0.00632 -0.00618 0.02063 -0.00184 -0.00021 184 4XX 0.00031 0.00118 -0.00184 0.00050 -0.00026 185 4YY 0.00009 -0.00014 -0.00021 -0.00026 0.00085 186 4ZZ 0.00074 0.00094 -0.00229 -0.00004 -0.00029 187 4XY -0.00008 0.00244 0.00041 -0.00010 -0.00011 188 4XZ -0.00070 -0.00179 0.00023 -0.00005 0.00015 189 4YZ -0.00036 -0.00155 0.00015 0.00000 0.00014 171 172 173 174 175 171 4ZZ 0.00079 172 4XY 0.00034 0.00161 173 4XZ -0.00011 0.00008 0.00045 174 4YZ 0.00019 -0.00006 -0.00028 0.00151 175 23 O 1S -0.00024 -0.00079 -0.00022 0.00075 2.07557 176 2S 0.00068 0.00193 0.00068 -0.00177 -0.17799 177 2PX 0.00158 -0.00037 -0.00132 -0.00020 0.01251 178 2PY -0.00197 0.00332 0.00299 -0.00194 0.03973 179 2PZ -0.00342 -0.00069 0.00072 -0.00060 -0.00479 180 3S 0.00135 0.00244 0.00058 -0.00257 -0.24523 181 3PX 0.00074 0.00008 -0.00070 0.00036 0.00937 182 3PY -0.00094 0.00244 0.00179 -0.00155 0.02573 183 3PZ -0.00229 -0.00041 0.00023 -0.00015 -0.00453 184 4XX -0.00004 0.00010 -0.00005 0.00000 -0.01520 185 4YY -0.00029 0.00011 0.00015 -0.00014 -0.01267 186 4ZZ 0.00025 -0.00002 -0.00008 0.00004 -0.01397 187 4XY 0.00002 -0.00029 0.00001 0.00012 0.00150 188 4XZ -0.00008 -0.00001 0.00004 -0.00002 0.00372 189 4YZ -0.00004 0.00012 0.00002 -0.00034 -0.00139 176 177 178 179 180 176 2S 0.50359 177 2PX -0.02849 0.64790 178 2PY -0.07464 0.02589 0.66561 179 2PZ 0.00377 0.13783 -0.04100 0.71653 180 3S 0.59250 -0.04940 -0.21999 0.05278 0.75617 181 3PX -0.02092 0.40598 0.03490 0.15871 -0.03227 182 3PY -0.04922 0.03539 0.42234 -0.03767 -0.14006 183 3PZ 0.00465 0.14600 -0.04617 0.46283 0.04139 184 4XX -0.00285 0.01348 -0.00530 0.00322 -0.00421 185 4YY -0.00833 -0.00249 0.04105 -0.00244 -0.01836 186 4ZZ -0.00547 -0.00533 -0.00589 -0.00732 -0.00646 187 4XY -0.00344 0.02796 0.00808 0.00450 -0.00490 188 4XZ -0.00792 -0.00237 -0.00090 0.00742 -0.00741 189 4YZ 0.00292 0.00402 -0.00308 0.02923 0.00413 181 182 183 184 185 181 3PX 0.26577 182 3PY 0.03228 0.26980 183 3PZ 0.13780 -0.03457 0.30851 184 4XX 0.00785 -0.00286 0.00301 0.00104 185 4YY -0.00029 0.02560 -0.00326 -0.00033 0.00294 186 4ZZ -0.00401 -0.00371 -0.00472 0.00002 -0.00023 187 4XY 0.01726 0.00594 0.00506 0.00037 0.00030 188 4XZ -0.00077 -0.00087 0.00424 -0.00009 0.00005 189 4YZ 0.00508 -0.00252 0.01812 0.00023 -0.00015 186 187 188 189 186 4ZZ 0.00079 187 4XY -0.00034 0.00161 188 4XZ -0.00011 -0.00008 0.00045 189 4YZ -0.00019 -0.00006 0.00028 0.00151 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05271 2 2S -0.01361 0.32496 3 2PX 0.00000 0.00000 0.36897 4 2PY 0.00000 0.00000 0.00000 0.41335 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.39023 6 3S -0.02960 0.20116 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.10335 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.07887 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.09568 10 4XX -0.00113 -0.00672 0.00000 0.00000 0.00000 11 4YY -0.00134 -0.00219 0.00000 0.00000 0.00000 12 4ZZ -0.00127 -0.00380 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 -0.00047 0.00000 -0.00258 0.00000 17 2S -0.00047 0.00970 0.00000 0.04008 0.00000 18 2PX 0.00000 0.00000 0.01116 0.00000 0.00000 19 2PY -0.00258 0.04008 0.00000 0.09681 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00839 21 3S -0.00027 0.01148 0.00000 0.03098 0.00000 22 3PX 0.00000 0.00000 0.01910 0.00000 0.00000 23 3PY -0.00172 0.02369 0.00000 0.01764 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.01655 25 4XX 0.00000 -0.00042 0.00000 -0.00106 0.00000 26 4YY -0.00026 0.00362 0.00000 0.00223 0.00000 27 4ZZ 0.00000 -0.00047 0.00000 -0.00112 0.00000 28 4XY 0.00000 0.00000 0.00201 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 0.00210 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00009 -0.00001 -0.00030 -0.00005 33 2PX 0.00000 -0.00011 0.00001 -0.00025 -0.00008 34 2PY 0.00000 -0.00024 -0.00002 -0.00053 -0.00005 35 2PZ 0.00000 -0.00005 -0.00006 -0.00010 0.00000 36 3S 0.00004 -0.00122 -0.00102 -0.00147 -0.00108 37 3PX 0.00004 -0.00090 -0.00004 -0.00124 -0.00095 38 3PY 0.00006 -0.00155 -0.00010 0.00064 -0.00066 39 3PZ 0.00003 -0.00048 -0.00104 -0.00151 -0.00021 40 4XX 0.00000 0.00000 -0.00001 -0.00001 0.00001 41 4YY 0.00000 0.00003 0.00001 0.00014 0.00000 42 4ZZ 0.00000 0.00000 0.00001 -0.00001 0.00000 43 4XY 0.00000 0.00001 0.00000 0.00006 0.00001 44 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 45 4YZ 0.00000 0.00001 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 -0.00001 48 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 49 2PY 0.00000 0.00000 -0.00002 0.00001 0.00000 50 2PZ 0.00000 -0.00001 0.00001 -0.00002 -0.00002 51 3S 0.00002 -0.00039 -0.00025 -0.00036 -0.00016 52 3PX 0.00000 -0.00005 0.00000 -0.00003 -0.00005 53 3PY 0.00001 -0.00022 -0.00053 0.00010 0.00006 54 3PZ 0.00002 -0.00032 0.00017 -0.00075 -0.00016 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 -0.00004 -0.00005 0.00000 -0.00015 63 2PX 0.00000 -0.00007 0.00000 0.00000 -0.00022 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 -0.00017 -0.00033 0.00000 -0.00022 66 3S 0.00004 -0.00076 0.00005 0.00002 -0.00378 67 3PX 0.00004 -0.00064 0.00002 -0.00002 -0.00115 68 3PY 0.00000 0.00004 0.00002 0.00013 0.00009 69 3PZ 0.00012 -0.00216 -0.00313 0.00004 -0.00217 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00004 0.00000 -0.00001 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00001 -0.00001 0.00000 0.00008 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 -0.00058 -0.00143 -0.00062 -0.00090 77 2S -0.00054 0.01134 0.02093 0.00935 0.01263 78 2PX -0.00132 0.02021 -0.00057 0.01791 0.03915 79 2PY -0.00067 0.00937 0.01826 -0.00036 0.00746 80 2PZ -0.00092 0.01358 0.03417 0.00933 0.00059 81 3S -0.00055 0.01143 0.02145 0.00590 0.01306 82 3PX -0.00102 0.01276 0.00242 0.00816 0.02061 83 3PY -0.00059 0.00676 0.00702 -0.00073 0.00274 84 3PZ -0.00032 0.00387 0.01528 0.00376 0.00259 85 4XX -0.00004 0.00057 -0.00099 0.00080 0.00133 86 4YY 0.00002 -0.00045 -0.00024 -0.00025 -0.00019 87 4ZZ 0.00000 -0.00019 0.00034 0.00013 -0.00071 88 4XY -0.00008 0.00083 0.00030 -0.00003 0.00116 89 4XZ -0.00011 0.00116 0.00034 0.00095 0.00003 90 4YZ -0.00006 0.00065 0.00116 -0.00001 0.00009 91 7 H 1S -0.00198 0.03084 0.02437 0.02406 0.04947 92 2S -0.00120 0.01190 0.01601 0.01556 0.03424 93 8 H 1S 0.00000 -0.00017 -0.00007 -0.00057 -0.00007 94 2S 0.00019 -0.00265 -0.00091 -0.00839 -0.00152 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00013 0.00003 0.00051 0.00001 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00000 0.00001 0.00001 -0.00001 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00015 -0.00001 0.00002 0.00041 101 12 H 1S 0.00000 -0.00019 -0.00019 -0.00047 -0.00007 102 2S 0.00019 -0.00267 -0.00255 -0.00651 -0.00039 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 104 2S 0.00000 -0.00006 0.00013 0.00000 -0.00054 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00001 -0.00002 -0.00001 0.00010 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 -0.00003 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.00005 -0.00055 -0.00007 -0.00003 128 3PX 0.00000 -0.00017 -0.00188 -0.00021 -0.00012 129 3PY 0.00000 -0.00002 0.00051 0.00001 0.00004 130 3PZ 0.00000 0.00000 -0.00014 -0.00002 0.00020 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 139 2PX 0.00000 -0.00002 -0.00008 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00001 -0.00022 -0.00141 0.00000 -0.00006 143 3PX 0.00004 -0.00065 -0.00046 0.00000 0.00001 144 3PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 145 3PZ 0.00000 -0.00006 -0.00019 0.00000 -0.00011 146 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 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 0.00011 0.00000 0.00003 156 20 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 157 2S 0.00000 -0.00003 -0.00048 0.00002 -0.00005 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 3S 0.25009 7 3PX 0.00000 0.11999 8 3PY 0.00000 0.00000 0.06236 9 3PZ 0.00000 0.00000 0.00000 0.09329 10 4XX -0.00354 0.00000 0.00000 0.00000 0.00092 11 4YY -0.00196 0.00000 0.00000 0.00000 -0.00008 12 4ZZ -0.00155 0.00000 0.00000 0.00000 0.00007 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 -0.00027 0.00000 -0.00172 0.00000 0.00000 17 2S 0.01148 0.00000 0.02369 0.00000 -0.00042 18 2PX 0.00000 0.01910 0.00000 0.00000 0.00000 19 2PY 0.03098 0.00000 0.01764 0.00000 -0.00106 20 2PZ 0.00000 0.00000 0.00000 0.01655 0.00000 21 3S -0.00963 0.00000 0.00844 0.00000 -0.00148 22 3PX 0.00000 0.02602 0.00000 0.00000 0.00000 23 3PY 0.00844 0.00000 0.00146 0.00000 -0.00163 24 3PZ 0.00000 0.00000 0.00000 0.02466 0.00000 25 4XX -0.00148 0.00000 -0.00163 0.00000 0.00001 26 4YY 0.00401 0.00000 0.00113 0.00000 -0.00004 27 4ZZ -0.00135 0.00000 -0.00110 0.00000 0.00001 28 4XY 0.00000 0.00097 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 0.00084 0.00000 31 3 C 1S -0.00002 -0.00006 0.00010 -0.00004 0.00000 32 2S -0.00118 0.00040 -0.00274 -0.00007 0.00000 33 2PX 0.00136 -0.00041 0.00143 0.00025 0.00000 34 2PY -0.00557 -0.00006 -0.00579 0.00006 0.00000 35 2PZ 0.00025 -0.00025 -0.00045 -0.00044 0.00000 36 3S -0.00157 -0.00090 -0.00347 -0.00043 0.00000 37 3PX 0.00466 -0.00292 0.00394 -0.00051 0.00010 38 3PY -0.00670 0.00027 -0.00164 -0.00011 0.00004 39 3PZ -0.00143 -0.00242 -0.00328 -0.00241 -0.00007 40 4XX -0.00002 -0.00013 -0.00004 0.00017 0.00000 41 4YY 0.00046 0.00005 0.00070 -0.00004 0.00000 42 4ZZ -0.00017 0.00010 -0.00027 -0.00007 0.00000 43 4XY 0.00008 0.00000 0.00010 0.00004 0.00000 44 4XZ -0.00002 -0.00001 -0.00001 0.00001 0.00000 45 4YZ 0.00005 0.00005 0.00006 0.00000 0.00000 46 4 C 1S 0.00001 0.00000 0.00001 0.00001 0.00000 47 2S -0.00036 0.00006 -0.00018 -0.00042 0.00000 48 2PX -0.00014 0.00004 -0.00033 -0.00003 0.00000 49 2PY -0.00023 -0.00038 0.00008 0.00010 0.00000 50 2PZ -0.00137 -0.00006 -0.00076 -0.00117 0.00000 51 3S -0.00468 -0.00148 -0.00260 -0.00055 -0.00002 52 3PX -0.00064 0.00000 -0.00082 0.00000 -0.00001 53 3PY -0.00149 -0.00158 0.00001 0.00079 -0.00003 54 3PZ -0.00522 -0.00027 -0.00249 -0.00211 0.00001 55 4XX 0.00004 0.00001 0.00003 0.00004 0.00000 56 4YY 0.00001 0.00001 0.00003 -0.00005 0.00000 57 4ZZ -0.00005 -0.00002 -0.00009 0.00001 0.00000 58 4XY -0.00001 0.00000 0.00001 -0.00001 0.00000 59 4XZ 0.00000 0.00001 0.00001 -0.00002 0.00000 60 4YZ 0.00001 0.00000 0.00001 0.00003 0.00000 61 5 C 1S 0.00002 0.00001 0.00000 0.00012 0.00000 62 2S -0.00042 0.00002 -0.00003 -0.00177 0.00000 63 2PX -0.00082 0.00015 -0.00008 -0.00219 0.00000 64 2PY -0.00002 -0.00002 0.00019 0.00001 0.00000 65 2PZ -0.00011 -0.00079 -0.00014 0.00070 0.00001 66 3S 0.00248 0.00384 -0.00019 -0.00950 0.00010 67 3PX -0.00096 0.00004 -0.00014 -0.00300 0.00000 68 3PY 0.00009 -0.00003 0.00105 0.00013 0.00000 69 3PZ 0.00150 -0.00198 -0.00016 0.00127 0.00004 70 4XX 0.00006 -0.00008 0.00001 0.00026 0.00000 71 4YY -0.00007 -0.00007 0.00000 -0.00002 0.00000 72 4ZZ 0.00005 0.00033 -0.00001 -0.00022 0.00000 73 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 74 4XZ 0.00006 -0.00006 0.00001 0.00029 0.00000 75 4YZ 0.00000 0.00000 -0.00005 0.00000 0.00000 76 6 C 1S 0.00070 -0.00061 -0.00036 0.00035 -0.00003 77 2S 0.00574 0.01224 0.00249 0.00196 0.00050 78 2PX 0.00750 0.00366 0.01210 0.01594 -0.00076 79 2PY 0.01237 0.00805 0.00131 0.00065 0.00066 80 2PZ 0.00722 0.01437 0.00369 0.00349 0.00099 81 3S -0.01474 0.01146 0.00031 0.00069 0.00113 82 3PX -0.00312 0.01823 0.01057 0.01516 -0.00122 83 3PY 0.00540 0.00359 0.00090 -0.00047 0.00038 84 3PZ 0.00232 0.01266 -0.00004 0.01140 0.00142 85 4XX 0.00123 -0.00161 0.00080 0.00174 -0.00002 86 4YY -0.00158 -0.00022 -0.00043 -0.00022 -0.00004 87 4ZZ 0.00062 0.00152 -0.00031 -0.00113 0.00005 88 4XY 0.00021 0.00001 0.00000 0.00013 -0.00003 89 4XZ 0.00039 -0.00002 0.00016 0.00002 -0.00001 90 4YZ 0.00020 0.00018 -0.00002 0.00003 0.00000 91 7 H 1S 0.04347 0.00828 0.01001 0.02191 -0.00039 92 2S 0.03825 0.00516 0.00740 0.02134 0.00026 93 8 H 1S -0.00417 0.00012 -0.00334 0.00019 0.00000 94 2S -0.01700 0.00059 -0.01421 -0.00033 0.00011 95 9 H 1S 0.00015 0.00000 0.00033 0.00000 0.00000 96 2S 0.00219 0.00018 0.00392 -0.00004 0.00000 97 10 H 1S 0.00001 0.00001 0.00002 0.00000 0.00000 98 2S 0.00036 0.00036 0.00040 -0.00010 0.00000 99 11 H 1S 0.00005 -0.00005 0.00005 0.00015 0.00000 100 2S 0.00079 -0.00100 0.00047 0.00247 -0.00001 101 12 H 1S -0.00450 -0.00158 -0.00036 -0.00043 -0.00001 102 2S -0.01535 -0.00582 -0.00203 -0.00017 -0.00026 103 13 H 1S -0.00011 0.00013 -0.00002 -0.00096 0.00000 104 2S -0.00081 0.00059 -0.00011 -0.00405 0.00002 105 14 H 1S 0.00004 0.00000 -0.00002 0.00010 0.00000 106 2S 0.00052 -0.00015 -0.00030 0.00142 0.00000 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S -0.00001 -0.00004 0.00000 0.00000 0.00000 113 3PX 0.00000 -0.00003 0.00000 0.00001 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 -0.00005 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 123 2S 0.00003 -0.00038 -0.00004 -0.00003 0.00000 124 2PX -0.00037 -0.00238 -0.00037 -0.00012 0.00000 125 2PY 0.00000 0.00019 -0.00001 0.00002 0.00000 126 2PZ -0.00002 -0.00018 -0.00002 0.00015 0.00000 127 3S -0.00076 -0.00413 -0.00081 -0.00023 0.00000 128 3PX -0.00191 -0.00956 -0.00165 -0.00061 0.00000 129 3PY -0.00001 0.00282 0.00000 0.00017 0.00000 130 3PZ -0.00021 -0.00096 -0.00014 0.00122 0.00000 131 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 132 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 133 4ZZ 0.00001 0.00003 0.00000 0.00000 0.00000 134 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 135 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00001 0.00006 0.00000 0.00000 0.00000 138 2S -0.00029 -0.00144 0.00000 -0.00004 0.00000 139 2PX 0.00030 -0.00169 0.00000 -0.00016 0.00001 140 2PY 0.00000 -0.00001 -0.00003 0.00000 0.00000 141 2PZ -0.00001 -0.00008 0.00000 0.00001 0.00000 142 3S -0.00022 -0.00786 0.00001 -0.00039 0.00005 143 3PX 0.00035 -0.00257 0.00001 -0.00020 0.00034 144 3PY 0.00000 -0.00002 -0.00005 0.00000 0.00000 145 3PZ 0.00006 -0.00044 0.00000 0.00051 0.00003 146 4XX -0.00004 0.00027 0.00000 0.00003 0.00000 147 4YY 0.00001 -0.00003 0.00000 0.00000 0.00000 148 4ZZ 0.00001 -0.00001 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 150 4XZ 0.00000 0.00002 0.00000 -0.00001 0.00000 151 4YZ 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 -0.00005 0.00000 0.00001 0.00000 154 19 H 1S 0.00002 0.00006 0.00002 0.00000 0.00000 155 2S 0.00017 0.00120 0.00023 0.00028 0.00000 156 20 H 1S -0.00008 -0.00081 0.00003 -0.00026 0.00000 157 2S -0.00017 -0.00194 0.00021 -0.00063 -0.00004 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00001 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00024 0.00001 -0.00003 0.00000 166 3PX 0.00008 0.00030 0.00004 0.00002 0.00000 167 3PY -0.00002 -0.00003 0.00001 0.00000 0.00000 168 3PZ -0.00003 -0.00005 0.00000 0.00003 0.00000 169 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00002 0.00006 0.00001 0.00000 0.00000 181 3PX 0.00004 0.00032 0.00005 -0.00003 0.00000 182 3PY 0.00001 0.00002 0.00000 0.00001 0.00000 183 3PZ 0.00000 -0.00004 0.00000 -0.00001 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 11 12 13 14 15 11 4YY 0.00114 12 4ZZ -0.00006 0.00089 13 4XY 0.00000 0.00000 0.00095 14 4XZ 0.00000 0.00000 0.00000 0.00067 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00117 16 2 C 1S -0.00026 0.00000 0.00000 0.00000 0.00000 17 2S 0.00362 -0.00047 0.00000 0.00000 0.00000 18 2PX 0.00000 0.00000 0.00201 0.00000 0.00000 19 2PY 0.00223 -0.00112 0.00000 0.00000 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00210 21 3S 0.00401 -0.00135 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.00097 0.00000 0.00000 23 3PY 0.00113 -0.00110 0.00000 0.00000 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00084 25 4XX -0.00004 0.00001 0.00000 0.00000 0.00000 26 4YY -0.00008 -0.00004 0.00000 0.00000 0.00000 27 4ZZ -0.00004 0.00002 0.00000 0.00000 0.00000 28 4XY 0.00000 0.00000 -0.00012 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 -0.00022 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00002 0.00000 0.00002 0.00000 0.00001 33 2PX 0.00001 0.00000 0.00000 0.00000 0.00005 34 2PY 0.00006 0.00000 0.00006 0.00000 0.00002 35 2PZ 0.00002 0.00000 0.00004 0.00000 0.00000 36 3S 0.00009 0.00005 0.00014 0.00000 0.00009 37 3PX -0.00006 -0.00002 0.00001 0.00000 0.00018 38 3PY 0.00012 0.00000 0.00014 0.00001 0.00006 39 3PZ 0.00006 0.00005 0.00012 0.00000 0.00002 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 0.00003 0.00003 0.00000 -0.00001 -0.00004 52 3PX 0.00000 0.00001 0.00000 0.00000 -0.00001 53 3PY 0.00004 -0.00002 0.00000 -0.00002 0.00001 54 3PZ -0.00002 0.00003 -0.00003 0.00000 -0.00001 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00001 0.00000 0.00001 0.00000 63 2PX 0.00000 0.00002 0.00000 0.00001 0.00000 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00006 0.00000 0.00005 0.00000 66 3S -0.00012 0.00019 0.00000 0.00008 -0.00001 67 3PX -0.00003 0.00015 0.00000 0.00001 0.00000 68 3PY 0.00000 -0.00001 -0.00003 0.00000 -0.00001 69 3PZ -0.00015 0.00050 -0.00001 0.00018 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 0.00001 0.00000 -0.00008 -0.00009 -0.00007 77 2S -0.00046 0.00001 0.00083 0.00096 0.00068 78 2PX -0.00034 0.00041 0.00020 0.00031 0.00124 79 2PY -0.00027 0.00025 -0.00002 0.00105 -0.00001 80 2PZ -0.00033 -0.00055 0.00121 -0.00005 0.00005 81 3S -0.00076 -0.00044 0.00045 0.00026 0.00036 82 3PX 0.00008 0.00087 0.00000 -0.00001 0.00030 83 3PY -0.00056 -0.00013 0.00002 0.00009 0.00001 84 3PZ -0.00054 -0.00080 0.00025 0.00002 0.00004 85 4XX -0.00003 0.00002 0.00000 0.00000 -0.00007 86 4YY 0.00004 -0.00006 0.00000 -0.00010 0.00000 87 4ZZ -0.00005 0.00002 -0.00010 0.00001 -0.00002 88 4XY 0.00000 -0.00005 0.00001 0.00000 0.00001 89 4XZ -0.00005 0.00001 -0.00001 0.00003 0.00000 90 4YZ 0.00000 -0.00002 0.00000 0.00000 0.00000 91 7 H 1S -0.00082 0.00160 0.00114 0.00172 0.00226 92 2S -0.00135 0.00254 0.00027 0.00030 0.00052 93 8 H 1S 0.00002 0.00000 0.00003 0.00000 0.00005 94 2S -0.00017 0.00014 0.00012 0.00000 0.00026 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S -0.00001 -0.00001 -0.00001 0.00000 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 101 12 H 1S 0.00009 -0.00001 0.00004 -0.00001 0.00002 102 2S 0.00097 -0.00025 0.00009 -0.00008 0.00008 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 -0.00004 0.00000 -0.00001 -0.00001 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00000 0.00000 0.00000 0.00000 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 0.00000 -0.00001 0.00000 0.00000 128 3PX -0.00001 0.00000 0.00001 0.00000 0.00000 129 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 130 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S -0.00002 0.00000 0.00000 0.00000 0.00000 143 3PX -0.00007 -0.00009 0.00000 0.00000 0.00000 144 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 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 0.00002 -0.00001 0.00000 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 2 C 1S 2.05271 17 2S -0.01361 0.32496 18 2PX 0.00000 0.00000 0.36897 19 2PY 0.00000 0.00000 0.00000 0.41335 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.39022 21 3S -0.02960 0.20116 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.10335 0.00000 0.00000 23 3PY 0.00000 0.00000 0.00000 0.07887 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.09568 25 4XX -0.00113 -0.00672 0.00000 0.00000 0.00000 26 4YY -0.00134 -0.00219 0.00000 0.00000 0.00000 27 4ZZ -0.00127 -0.00380 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 -0.00058 -0.00143 -0.00062 -0.00090 32 2S -0.00054 0.01134 0.02093 0.00935 0.01262 33 2PX -0.00132 0.02021 -0.00057 0.01791 0.03915 34 2PY -0.00067 0.00937 0.01826 -0.00036 0.00746 35 2PZ -0.00092 0.01358 0.03417 0.00933 0.00059 36 3S -0.00055 0.01143 0.02145 0.00590 0.01306 37 3PX -0.00102 0.01276 0.00242 0.00816 0.02060 38 3PY -0.00059 0.00676 0.00702 -0.00073 0.00274 39 3PZ -0.00032 0.00386 0.01528 0.00376 0.00259 40 4XX -0.00004 0.00057 -0.00099 0.00080 0.00133 41 4YY 0.00002 -0.00045 -0.00024 -0.00025 -0.00019 42 4ZZ 0.00000 -0.00019 0.00034 0.00013 -0.00071 43 4XY -0.00008 0.00083 0.00030 -0.00003 0.00116 44 4XZ -0.00011 0.00116 0.00034 0.00095 0.00003 45 4YZ -0.00006 0.00065 0.00116 -0.00001 0.00009 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00004 -0.00005 0.00000 -0.00015 48 2PX 0.00000 -0.00007 0.00000 0.00000 -0.00022 49 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ 0.00000 -0.00017 -0.00033 0.00000 -0.00022 51 3S 0.00004 -0.00076 0.00005 0.00002 -0.00378 52 3PX 0.00004 -0.00064 0.00002 -0.00002 -0.00115 53 3PY 0.00000 0.00004 0.00002 0.00013 0.00009 54 3PZ 0.00012 -0.00216 -0.00313 0.00004 -0.00217 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00004 0.00000 -0.00001 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00001 -0.00001 0.00000 0.00008 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 -0.00001 63 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 64 2PY 0.00000 0.00000 -0.00002 0.00001 0.00000 65 2PZ 0.00000 -0.00001 0.00001 -0.00002 -0.00002 66 3S 0.00002 -0.00039 -0.00025 -0.00036 -0.00016 67 3PX 0.00000 -0.00005 0.00000 -0.00003 -0.00005 68 3PY 0.00001 -0.00022 -0.00053 0.00010 0.00006 69 3PZ 0.00002 -0.00032 0.00017 -0.00075 -0.00016 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 -0.00009 -0.00001 -0.00030 -0.00005 78 2PX 0.00000 -0.00011 0.00001 -0.00025 -0.00008 79 2PY 0.00000 -0.00024 -0.00002 -0.00053 -0.00005 80 2PZ 0.00000 -0.00005 -0.00006 -0.00010 0.00000 81 3S 0.00004 -0.00122 -0.00102 -0.00147 -0.00108 82 3PX 0.00004 -0.00090 -0.00004 -0.00124 -0.00095 83 3PY 0.00006 -0.00155 -0.00010 0.00064 -0.00066 84 3PZ 0.00003 -0.00048 -0.00104 -0.00151 -0.00021 85 4XX 0.00000 0.00000 -0.00001 -0.00001 0.00001 86 4YY 0.00000 0.00003 0.00001 0.00014 0.00000 87 4ZZ 0.00000 0.00000 0.00001 -0.00001 0.00000 88 4XY 0.00000 0.00001 0.00000 0.00006 0.00001 89 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 90 4YZ 0.00000 0.00001 0.00001 0.00004 0.00000 91 7 H 1S 0.00000 -0.00017 -0.00007 -0.00057 -0.00007 92 2S 0.00019 -0.00265 -0.00091 -0.00840 -0.00152 93 8 H 1S -0.00198 0.03084 0.02437 0.02406 0.04947 94 2S -0.00120 0.01190 0.01602 0.01556 0.03424 95 9 H 1S 0.00000 -0.00019 -0.00019 -0.00047 -0.00007 96 2S 0.00019 -0.00267 -0.00255 -0.00651 -0.00039 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00015 -0.00001 0.00002 0.00041 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00001 0.00001 -0.00001 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00013 0.00003 0.00051 0.00001 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00001 -0.00002 -0.00001 0.00010 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 106 2S 0.00000 -0.00006 0.00013 0.00000 -0.00054 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 124 2PX 0.00000 -0.00002 -0.00008 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00001 -0.00022 -0.00141 0.00000 -0.00006 128 3PX 0.00004 -0.00065 -0.00046 0.00000 0.00001 129 3PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 130 3PZ 0.00000 -0.00006 -0.00019 0.00000 -0.00011 131 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 -0.00003 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 -0.00005 -0.00055 -0.00007 -0.00003 143 3PX 0.00000 -0.00017 -0.00188 -0.00021 -0.00012 144 3PY 0.00000 -0.00002 0.00051 0.00001 0.00004 145 3PZ 0.00000 0.00000 -0.00014 -0.00002 0.00020 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 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 -0.00001 0.00000 0.00000 155 2S 0.00000 -0.00003 -0.00048 0.00002 -0.00005 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00011 0.00000 0.00003 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 22 23 24 25 21 3S 0.25009 22 3PX 0.00000 0.11999 23 3PY 0.00000 0.00000 0.06236 24 3PZ 0.00000 0.00000 0.00000 0.09329 25 4XX -0.00354 0.00000 0.00000 0.00000 0.00092 26 4YY -0.00196 0.00000 0.00000 0.00000 -0.00008 27 4ZZ -0.00155 0.00000 0.00000 0.00000 0.00007 28 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 29 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 3 C 1S 0.00070 -0.00061 -0.00036 0.00035 -0.00003 32 2S 0.00574 0.01224 0.00249 0.00196 0.00050 33 2PX 0.00750 0.00366 0.01210 0.01594 -0.00076 34 2PY 0.01238 0.00805 0.00131 0.00065 0.00066 35 2PZ 0.00722 0.01437 0.00369 0.00349 0.00099 36 3S -0.01474 0.01146 0.00031 0.00069 0.00113 37 3PX -0.00312 0.01823 0.01057 0.01516 -0.00122 38 3PY 0.00540 0.00359 0.00090 -0.00047 0.00038 39 3PZ 0.00232 0.01266 -0.00004 0.01140 0.00142 40 4XX 0.00123 -0.00161 0.00080 0.00174 -0.00002 41 4YY -0.00158 -0.00022 -0.00043 -0.00022 -0.00004 42 4ZZ 0.00062 0.00152 -0.00031 -0.00113 0.00005 43 4XY 0.00021 0.00001 0.00000 0.00013 -0.00003 44 4XZ 0.00039 -0.00002 0.00016 0.00002 -0.00001 45 4YZ 0.00020 0.00018 -0.00002 0.00003 0.00000 46 4 C 1S 0.00002 0.00001 0.00000 0.00012 0.00000 47 2S -0.00042 0.00002 -0.00003 -0.00177 0.00000 48 2PX -0.00082 0.00015 -0.00008 -0.00219 0.00000 49 2PY -0.00002 -0.00002 0.00019 0.00001 0.00000 50 2PZ -0.00011 -0.00079 -0.00014 0.00070 0.00001 51 3S 0.00248 0.00384 -0.00019 -0.00950 0.00010 52 3PX -0.00096 0.00004 -0.00014 -0.00300 0.00000 53 3PY 0.00009 -0.00003 0.00105 0.00013 0.00000 54 3PZ 0.00150 -0.00198 -0.00016 0.00127 0.00004 55 4XX 0.00006 -0.00008 0.00001 0.00026 0.00000 56 4YY -0.00007 -0.00007 0.00000 -0.00002 0.00000 57 4ZZ 0.00005 0.00033 -0.00001 -0.00022 0.00000 58 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 59 4XZ 0.00006 -0.00006 0.00001 0.00029 0.00000 60 4YZ 0.00000 0.00000 -0.00005 0.00000 0.00000 61 5 C 1S 0.00001 0.00000 0.00001 0.00001 0.00000 62 2S -0.00036 0.00006 -0.00018 -0.00042 0.00000 63 2PX -0.00014 0.00004 -0.00033 -0.00003 0.00000 64 2PY -0.00023 -0.00038 0.00008 0.00010 0.00000 65 2PZ -0.00137 -0.00006 -0.00076 -0.00117 0.00000 66 3S -0.00468 -0.00148 -0.00260 -0.00055 -0.00002 67 3PX -0.00064 0.00000 -0.00082 0.00000 -0.00001 68 3PY -0.00149 -0.00158 0.00001 0.00079 -0.00003 69 3PZ -0.00522 -0.00027 -0.00249 -0.00211 0.00001 70 4XX 0.00004 0.00001 0.00003 0.00004 0.00000 71 4YY 0.00001 0.00001 0.00003 -0.00005 0.00000 72 4ZZ -0.00005 -0.00002 -0.00009 0.00001 0.00000 73 4XY -0.00001 0.00000 0.00001 -0.00001 0.00000 74 4XZ 0.00000 0.00001 0.00001 -0.00002 0.00000 75 4YZ 0.00001 0.00000 0.00001 0.00003 0.00000 76 6 C 1S -0.00002 -0.00006 0.00010 -0.00004 0.00000 77 2S -0.00118 0.00040 -0.00274 -0.00007 0.00000 78 2PX 0.00136 -0.00041 0.00143 0.00025 0.00000 79 2PY -0.00557 -0.00006 -0.00579 0.00006 0.00000 80 2PZ 0.00025 -0.00025 -0.00045 -0.00044 0.00000 81 3S -0.00157 -0.00090 -0.00347 -0.00043 0.00000 82 3PX 0.00466 -0.00292 0.00394 -0.00051 0.00010 83 3PY -0.00670 0.00027 -0.00164 -0.00011 0.00004 84 3PZ -0.00143 -0.00242 -0.00328 -0.00241 -0.00007 85 4XX -0.00002 -0.00013 -0.00004 0.00017 0.00000 86 4YY 0.00046 0.00005 0.00070 -0.00004 0.00000 87 4ZZ -0.00017 0.00010 -0.00027 -0.00007 0.00000 88 4XY 0.00008 0.00000 0.00010 0.00004 0.00000 89 4XZ -0.00002 -0.00001 -0.00001 0.00001 0.00000 90 4YZ 0.00005 0.00005 0.00006 0.00000 0.00000 91 7 H 1S -0.00417 0.00012 -0.00334 0.00019 0.00000 92 2S -0.01700 0.00059 -0.01421 -0.00033 0.00011 93 8 H 1S 0.04347 0.00828 0.01001 0.02191 -0.00039 94 2S 0.03825 0.00516 0.00740 0.02134 0.00026 95 9 H 1S -0.00450 -0.00158 -0.00036 -0.00043 -0.00001 96 2S -0.01535 -0.00582 -0.00203 -0.00017 -0.00026 97 10 H 1S 0.00005 -0.00005 0.00005 0.00015 0.00000 98 2S 0.00079 -0.00100 0.00047 0.00247 -0.00001 99 11 H 1S 0.00001 0.00001 0.00002 0.00000 0.00000 100 2S 0.00036 0.00036 0.00040 -0.00009 0.00000 101 12 H 1S 0.00015 0.00000 0.00033 0.00000 0.00000 102 2S 0.00219 0.00018 0.00392 -0.00004 0.00000 103 13 H 1S 0.00004 0.00000 -0.00002 0.00010 0.00000 104 2S 0.00052 -0.00015 -0.00030 0.00142 0.00000 105 14 H 1S -0.00011 0.00013 -0.00002 -0.00096 0.00000 106 2S -0.00081 0.00059 -0.00011 -0.00405 0.00002 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S -0.00001 -0.00004 0.00000 0.00000 0.00000 113 3PX 0.00000 -0.00003 0.00000 0.00001 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 -0.00005 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00001 0.00006 0.00000 0.00000 0.00000 123 2S -0.00029 -0.00144 0.00000 -0.00004 0.00000 124 2PX 0.00030 -0.00169 0.00000 -0.00016 0.00001 125 2PY 0.00000 -0.00001 -0.00003 0.00000 0.00000 126 2PZ -0.00001 -0.00008 0.00000 0.00001 0.00000 127 3S -0.00022 -0.00786 0.00001 -0.00039 0.00005 128 3PX 0.00035 -0.00257 0.00001 -0.00020 0.00034 129 3PY 0.00000 -0.00002 -0.00005 0.00000 0.00000 130 3PZ 0.00006 -0.00044 0.00000 0.00051 0.00003 131 4XX -0.00004 0.00027 0.00000 0.00003 0.00000 132 4YY 0.00001 -0.00003 0.00000 0.00000 0.00000 133 4ZZ 0.00001 -0.00001 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 135 4XZ 0.00000 0.00002 0.00000 -0.00001 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 138 2S 0.00003 -0.00038 -0.00004 -0.00003 0.00000 139 2PX -0.00037 -0.00238 -0.00037 -0.00012 0.00000 140 2PY 0.00000 0.00019 -0.00001 0.00002 0.00000 141 2PZ -0.00002 -0.00018 -0.00002 0.00015 0.00000 142 3S -0.00076 -0.00413 -0.00081 -0.00023 0.00000 143 3PX -0.00191 -0.00956 -0.00165 -0.00061 0.00000 144 3PY -0.00001 0.00282 0.00000 0.00017 0.00000 145 3PZ -0.00021 -0.00096 -0.00014 0.00122 0.00000 146 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 147 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 148 4ZZ 0.00001 0.00003 0.00000 0.00000 0.00000 149 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 150 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 151 4YZ 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 -0.00005 0.00000 0.00001 0.00000 154 19 H 1S -0.00008 -0.00081 0.00003 -0.00026 0.00000 155 2S -0.00017 -0.00194 0.00021 -0.00063 -0.00004 156 20 H 1S 0.00002 0.00006 0.00002 0.00000 0.00000 157 2S 0.00017 0.00120 0.00023 0.00028 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00001 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00002 0.00006 0.00001 0.00000 0.00000 166 3PX 0.00004 0.00032 0.00005 -0.00003 0.00000 167 3PY 0.00001 0.00002 0.00000 0.00001 0.00000 168 3PZ 0.00000 -0.00004 0.00000 -0.00001 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00024 0.00001 -0.00003 0.00000 181 3PX 0.00008 0.00030 0.00004 0.00002 0.00000 182 3PY -0.00002 -0.00003 0.00001 0.00000 0.00000 183 3PZ -0.00003 -0.00005 0.00000 0.00003 0.00000 184 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 26 27 28 29 30 26 4YY 0.00114 27 4ZZ -0.00006 0.00089 28 4XY 0.00000 0.00000 0.00095 29 4XZ 0.00000 0.00000 0.00000 0.00067 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00117 31 3 C 1S 0.00001 0.00000 -0.00008 -0.00009 -0.00007 32 2S -0.00046 0.00001 0.00083 0.00096 0.00068 33 2PX -0.00034 0.00041 0.00020 0.00031 0.00124 34 2PY -0.00027 0.00025 -0.00002 0.00105 -0.00001 35 2PZ -0.00033 -0.00055 0.00121 -0.00005 0.00005 36 3S -0.00076 -0.00044 0.00045 0.00026 0.00036 37 3PX 0.00008 0.00087 0.00000 -0.00001 0.00030 38 3PY -0.00056 -0.00013 0.00002 0.00009 0.00001 39 3PZ -0.00054 -0.00080 0.00025 0.00002 0.00004 40 4XX -0.00003 0.00002 0.00000 0.00000 -0.00007 41 4YY 0.00004 -0.00006 0.00000 -0.00010 0.00000 42 4ZZ -0.00005 0.00002 -0.00010 0.00001 -0.00002 43 4XY 0.00000 -0.00005 0.00001 0.00000 0.00001 44 4XZ -0.00005 0.00001 -0.00001 0.00003 0.00000 45 4YZ 0.00000 -0.00002 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00001 0.00000 0.00001 0.00000 48 2PX 0.00000 0.00002 0.00000 0.00001 0.00000 49 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00006 0.00000 0.00005 0.00000 51 3S -0.00012 0.00019 0.00000 0.00008 -0.00001 52 3PX -0.00003 0.00015 0.00000 0.00001 0.00000 53 3PY 0.00000 -0.00001 -0.00003 0.00000 -0.00001 54 3PZ -0.00015 0.00050 -0.00001 0.00018 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 0.00003 0.00003 0.00000 -0.00001 -0.00004 67 3PX 0.00000 0.00001 0.00000 0.00000 -0.00001 68 3PY 0.00004 -0.00002 0.00000 -0.00002 0.00001 69 3PZ -0.00002 0.00003 -0.00003 0.00000 -0.00001 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 0.00002 0.00000 0.00002 0.00000 0.00001 78 2PX 0.00001 0.00000 0.00000 0.00000 0.00005 79 2PY 0.00006 0.00000 0.00006 0.00000 0.00002 80 2PZ 0.00002 0.00000 0.00004 0.00000 0.00000 81 3S 0.00009 0.00005 0.00014 0.00000 0.00009 82 3PX -0.00006 -0.00002 0.00001 0.00000 0.00018 83 3PY 0.00012 0.00000 0.00014 0.00001 0.00006 84 3PZ 0.00006 0.00005 0.00012 0.00000 0.00002 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00002 0.00000 0.00003 0.00000 0.00005 92 2S -0.00017 0.00014 0.00012 0.00000 0.00026 93 8 H 1S -0.00082 0.00160 0.00114 0.00172 0.00226 94 2S -0.00135 0.00254 0.00027 0.00030 0.00052 95 9 H 1S 0.00009 -0.00001 0.00004 -0.00001 0.00002 96 2S 0.00097 -0.00025 0.00009 -0.00008 0.00008 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S -0.00001 -0.00001 -0.00001 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 -0.00004 0.00000 -0.00001 -0.00001 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S -0.00002 0.00000 0.00000 0.00000 0.00000 128 3PX -0.00007 -0.00009 0.00000 0.00000 0.00000 129 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 130 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 -0.00001 0.00000 0.00000 143 3PX -0.00001 0.00000 0.00001 0.00000 0.00000 144 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 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 0.00002 -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 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 31 32 33 34 35 31 3 C 1S 2.05499 32 2S -0.01344 0.32633 33 2PX 0.00000 0.00000 0.35439 34 2PY 0.00000 0.00000 0.00000 0.41151 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.38399 36 3S -0.03645 0.23612 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.11188 0.00000 0.00000 38 3PY 0.00000 0.00000 0.00000 0.07408 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.09697 40 4XX -0.00090 -0.00921 0.00000 0.00000 0.00000 41 4YY -0.00145 0.00112 0.00000 0.00000 0.00000 42 4ZZ -0.00111 -0.00519 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 -0.00019 -0.00012 -0.00024 -0.00095 47 2S -0.00020 0.00510 0.00225 0.00423 0.01884 48 2PX -0.00009 0.00177 0.00002 0.00094 0.00649 49 2PY -0.00019 0.00371 0.00070 -0.00061 0.01257 50 2PZ -0.00117 0.02397 0.00790 0.01390 0.04482 51 3S 0.00013 0.00692 0.00564 0.00982 0.01743 52 3PX -0.00008 0.00179 -0.00001 0.00069 0.00365 53 3PY -0.00024 0.00226 0.00058 0.00034 0.00760 54 3PZ -0.00127 0.01980 0.00425 0.00822 0.01549 55 4XX 0.00000 -0.00030 0.00003 -0.00007 -0.00038 56 4YY 0.00000 -0.00018 -0.00003 -0.00006 -0.00029 57 4ZZ -0.00007 0.00165 0.00057 0.00108 0.00023 58 4XY 0.00000 0.00007 0.00004 0.00000 0.00021 59 4XZ -0.00002 0.00039 0.00047 0.00020 0.00058 60 4YZ -0.00005 0.00082 0.00023 0.00005 0.00129 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00002 0.00000 -0.00008 -0.00005 63 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 64 2PY 0.00000 -0.00011 0.00000 -0.00027 -0.00017 65 2PZ 0.00000 -0.00004 0.00000 -0.00004 -0.00006 66 3S 0.00000 -0.00058 -0.00039 -0.00336 0.00006 67 3PX 0.00000 -0.00008 0.00020 -0.00018 0.00002 68 3PY 0.00009 -0.00203 -0.00020 -0.00450 -0.00131 69 3PZ 0.00000 -0.00047 -0.00018 -0.00023 -0.00028 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 72 4ZZ 0.00000 0.00000 0.00000 -0.00001 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 0.00001 0.00000 0.00003 0.00002 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00002 0.00000 -0.00007 0.00000 78 2PX 0.00000 0.00000 -0.00004 0.00000 0.00000 79 2PY 0.00000 -0.00007 0.00000 -0.00020 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 81 3S 0.00007 -0.00089 0.00000 -0.00117 0.00000 82 3PX 0.00000 0.00000 -0.00148 0.00000 0.00000 83 3PY 0.00011 -0.00067 0.00000 0.00120 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00097 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00001 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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00013 0.00023 0.00019 0.00011 93 8 H 1S 0.00000 -0.00020 -0.00035 0.00000 -0.00037 94 2S 0.00026 -0.00342 -0.00577 0.00001 -0.00550 95 9 H 1S -0.00196 0.03098 0.00105 0.09692 0.00070 96 2S -0.00121 0.01237 0.00024 0.06457 0.00049 97 10 H 1S 0.00000 -0.00015 -0.00026 0.00000 -0.00029 98 2S 0.00020 -0.00288 -0.00585 -0.00011 -0.00246 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00009 0.00011 0.00015 0.00006 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00002 0.00000 0.00006 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00006 0.00001 0.00010 0.00023 105 14 H 1S 0.00000 -0.00019 0.00001 -0.00001 -0.00045 106 2S 0.00018 -0.00332 -0.00013 -0.00012 -0.00666 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00002 0.00000 0.00000 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 -0.00008 0.00013 0.00001 0.00005 124 2PX 0.00000 0.00003 0.00204 0.00028 0.00071 125 2PY 0.00000 -0.00002 0.00020 -0.00001 0.00004 126 2PZ 0.00000 0.00007 0.00111 0.00010 0.00022 127 3S 0.00016 -0.00065 0.00234 0.00090 -0.00066 128 3PX 0.00003 -0.00040 0.00812 0.00149 0.00512 129 3PY 0.00000 -0.00033 0.00105 0.00026 0.00060 130 3PZ 0.00004 0.00025 0.00632 0.00056 0.00003 131 4XX 0.00000 0.00003 0.00012 0.00002 0.00006 132 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 133 4ZZ 0.00000 0.00000 -0.00003 0.00000 -0.00001 134 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 135 4XZ 0.00000 0.00002 0.00007 0.00001 0.00001 136 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 -0.00020 -0.00015 -0.00051 0.00013 143 3PX 0.00001 -0.00046 -0.00029 -0.00024 -0.00025 144 3PY -0.00001 0.00003 -0.00009 -0.00035 0.00017 145 3PZ 0.00000 -0.00022 -0.00033 -0.00015 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 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 0.00003 0.00000 -0.00001 154 19 H 1S 0.00000 -0.00002 -0.00005 0.00000 -0.00004 155 2S 0.00003 -0.00065 -0.00108 0.00000 -0.00122 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00002 0.00003 0.00003 0.00003 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 -0.00009 0.00000 0.00001 181 3PX 0.00000 -0.00011 -0.00099 -0.00002 -0.00003 182 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 183 3PZ 0.00000 -0.00001 -0.00009 0.00000 0.00005 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 36 3S 0.30061 37 3PX 0.00000 0.12487 38 3PY 0.00000 0.00000 0.05321 39 3PZ 0.00000 0.00000 0.00000 0.09658 40 4XX -0.00711 0.00000 0.00000 0.00000 0.00149 41 4YY 0.00243 0.00000 0.00000 0.00000 -0.00017 42 4ZZ -0.00427 0.00000 0.00000 0.00000 0.00002 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 -0.00008 -0.00013 -0.00030 -0.00056 0.00000 47 2S 0.00439 0.00144 0.00327 0.01093 -0.00025 48 2PX 0.00232 0.00002 0.00013 0.00151 0.00003 49 2PY 0.00318 0.00032 -0.00170 0.00724 -0.00003 50 2PZ 0.02221 0.00379 0.00268 0.01200 -0.00056 51 3S 0.00013 0.00758 0.00649 -0.00033 -0.00076 52 3PX 0.00180 -0.00074 -0.00003 0.00122 -0.00020 53 3PY 0.00225 0.00009 -0.00189 0.00562 -0.00013 54 3PZ 0.01207 0.00263 0.00065 0.00190 -0.00046 55 4XX -0.00096 -0.00026 0.00001 0.00003 0.00002 56 4YY -0.00038 -0.00014 -0.00034 -0.00005 0.00000 57 4ZZ 0.00238 0.00065 0.00048 -0.00049 -0.00005 58 4XY 0.00004 0.00005 0.00001 0.00003 0.00000 59 4XZ 0.00013 0.00053 0.00001 0.00015 0.00000 60 4YZ 0.00035 0.00005 0.00023 0.00018 -0.00002 61 5 C 1S 0.00002 0.00001 0.00005 0.00001 0.00000 62 2S -0.00040 -0.00009 -0.00095 -0.00046 0.00000 63 2PX -0.00011 -0.00004 0.00000 0.00005 0.00000 64 2PY -0.00123 -0.00020 -0.00108 -0.00158 0.00000 65 2PZ 0.00017 -0.00019 0.00178 -0.00044 0.00000 66 3S -0.00142 -0.00184 -0.00547 0.00200 -0.00002 67 3PX -0.00033 0.00051 -0.00015 0.00022 0.00000 68 3PY -0.00425 -0.00083 -0.00385 -0.00215 -0.00003 69 3PZ 0.00049 -0.00062 0.00275 -0.00015 -0.00003 70 4XX 0.00001 0.00001 -0.00005 0.00000 0.00000 71 4YY 0.00002 0.00003 0.00004 -0.00010 0.00000 72 4ZZ -0.00002 -0.00004 0.00006 0.00006 0.00000 73 4XY 0.00001 0.00002 0.00000 0.00001 0.00000 74 4XZ 0.00000 -0.00002 0.00000 -0.00001 0.00000 75 4YZ 0.00005 0.00002 0.00002 0.00007 0.00000 76 6 C 1S 0.00007 0.00000 0.00011 0.00000 0.00000 77 2S -0.00089 0.00000 -0.00067 0.00000 0.00000 78 2PX 0.00000 -0.00148 0.00000 0.00000 0.00000 79 2PY -0.00117 0.00000 0.00120 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 -0.00097 0.00000 81 3S -0.00468 0.00000 -0.00138 0.00000 0.00001 82 3PX 0.00000 -0.00748 0.00000 0.00000 0.00000 83 3PY -0.00138 0.00000 0.00481 0.00000 -0.00001 84 3PZ 0.00000 0.00000 0.00000 -0.00447 0.00000 85 4XX 0.00001 0.00000 -0.00001 0.00000 0.00000 86 4YY 0.00002 0.00000 -0.00005 0.00000 0.00000 87 4ZZ 0.00001 0.00000 0.00001 0.00000 0.00000 88 4XY 0.00000 -0.00002 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 -0.00003 0.00000 91 7 H 1S 0.00011 0.00012 0.00006 0.00007 0.00000 92 2S 0.00169 0.00167 0.00108 0.00063 0.00000 93 8 H 1S -0.00410 -0.00228 -0.00011 -0.00102 0.00002 94 2S -0.01509 -0.01064 -0.00027 -0.00393 0.00015 95 9 H 1S 0.04240 0.00025 0.04297 0.00017 -0.00103 96 2S 0.02340 -0.00063 0.04178 -0.00010 -0.00176 97 10 H 1S -0.00231 -0.00206 0.00009 0.00032 0.00003 98 2S -0.01153 -0.01242 -0.00013 0.00542 0.00057 99 11 H 1S 0.00004 0.00005 -0.00005 0.00002 0.00000 100 2S 0.00041 0.00088 -0.00025 -0.00009 0.00000 101 12 H 1S 0.00000 0.00000 -0.00003 0.00000 0.00000 102 2S 0.00020 0.00003 -0.00016 0.00001 0.00000 103 13 H 1S -0.00001 0.00000 -0.00011 0.00024 0.00000 104 2S 0.00004 0.00006 -0.00014 0.00192 0.00001 105 14 H 1S -0.00122 -0.00012 0.00015 -0.00578 0.00000 106 2S -0.00380 -0.00091 0.00030 -0.01806 -0.00007 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00001 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00002 0.00001 0.00001 -0.00001 0.00000 110 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00009 0.00016 0.00004 -0.00002 0.00000 113 3PX 0.00002 -0.00008 -0.00005 -0.00002 0.00000 114 3PY -0.00005 -0.00006 0.00000 0.00000 0.00000 115 3PZ 0.00002 0.00004 0.00002 0.00010 0.00000 116 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00004 0.00004 -0.00002 -0.00005 0.00000 123 2S 0.00014 -0.00038 0.00039 0.00064 0.00003 124 2PX 0.00061 0.00776 0.00085 0.00475 0.00009 125 2PY 0.00007 0.00087 -0.00007 0.00059 0.00003 126 2PZ 0.00128 0.00549 0.00059 0.00007 0.00004 127 3S 0.00126 0.00244 0.00172 0.00107 0.00037 128 3PX 0.00341 0.01261 0.00220 0.01182 0.00046 129 3PY 0.00015 0.00214 -0.00001 0.00151 0.00013 130 3PZ 0.00207 0.01154 0.00088 -0.00216 0.00026 131 4XX 0.00056 0.00070 0.00021 0.00048 -0.00001 132 4YY -0.00011 -0.00015 -0.00003 -0.00009 0.00000 133 4ZZ -0.00023 -0.00026 -0.00012 -0.00012 0.00000 134 4XY -0.00001 0.00006 0.00004 0.00003 0.00000 135 4XZ 0.00006 0.00018 0.00002 0.00001 0.00000 136 4YZ 0.00000 0.00007 0.00001 0.00000 0.00000 137 17 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 138 2S -0.00008 -0.00017 -0.00005 -0.00007 0.00000 139 2PX 0.00018 -0.00033 0.00062 0.00000 0.00000 140 2PY -0.00011 -0.00054 -0.00002 -0.00031 0.00000 141 2PZ 0.00003 -0.00033 0.00023 0.00000 0.00000 142 3S -0.00008 -0.00065 -0.00001 0.00038 0.00004 143 3PX 0.00010 -0.00161 0.00159 -0.00078 0.00010 144 3PY -0.00080 0.00022 -0.00060 -0.00008 -0.00008 145 3PZ 0.00043 -0.00177 0.00093 -0.00006 0.00007 146 4XX 0.00001 -0.00002 0.00002 -0.00001 0.00000 147 4YY 0.00001 0.00000 0.00001 0.00000 0.00000 148 4ZZ -0.00001 0.00001 -0.00002 0.00000 0.00000 149 4XY 0.00001 0.00007 0.00002 0.00004 0.00000 150 4XZ 0.00000 -0.00002 0.00001 0.00000 0.00000 151 4YZ 0.00001 0.00005 0.00001 0.00000 0.00000 152 18 H 1S 0.00001 0.00001 0.00001 0.00000 0.00000 153 2S 0.00037 0.00025 0.00025 -0.00019 0.00000 154 19 H 1S -0.00059 -0.00157 0.00000 -0.00084 0.00000 155 2S -0.00382 -0.00490 -0.00003 -0.00395 0.00006 156 20 H 1S 0.00000 0.00004 -0.00001 0.00002 0.00000 157 2S 0.00009 0.00051 -0.00013 0.00041 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S -0.00003 -0.00003 -0.00002 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 162 2PX 0.00000 0.00001 -0.00001 0.00000 0.00000 163 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S -0.00007 -0.00005 -0.00008 -0.00001 0.00000 166 3PX -0.00007 0.00013 -0.00022 0.00000 0.00000 167 3PY -0.00007 0.00009 -0.00003 0.00000 0.00000 168 3PZ -0.00001 0.00000 -0.00002 0.00002 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 176 2S 0.00004 0.00008 0.00001 -0.00002 0.00000 177 2PX -0.00039 -0.00078 -0.00007 -0.00008 0.00000 178 2PY -0.00002 0.00002 0.00001 0.00000 0.00000 179 2PZ -0.00005 -0.00006 -0.00001 0.00011 0.00000 180 3S 0.00004 0.00079 0.00005 -0.00007 -0.00001 181 3PX -0.00341 -0.00509 -0.00042 -0.00053 0.00003 182 3PY -0.00013 0.00011 0.00010 -0.00002 0.00000 183 3PZ -0.00044 -0.00047 -0.00005 0.00119 0.00000 184 4XX -0.00002 0.00010 0.00000 0.00001 0.00000 185 4YY 0.00002 -0.00003 0.00000 0.00000 0.00000 186 4ZZ 0.00000 -0.00005 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 41 42 43 44 45 41 4YY 0.00186 42 4ZZ -0.00024 0.00145 43 4XY 0.00000 0.00000 0.00042 44 4XZ 0.00000 0.00000 0.00000 0.00069 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00065 46 4 C 1S 0.00001 -0.00008 0.00000 -0.00002 -0.00004 47 2S -0.00028 0.00173 0.00008 0.00027 0.00071 48 2PX -0.00004 0.00057 0.00002 0.00055 0.00018 49 2PY -0.00005 0.00113 0.00000 0.00016 0.00007 50 2PZ -0.00047 -0.00015 0.00023 0.00037 0.00127 51 3S -0.00147 0.00324 0.00007 0.00015 0.00037 52 3PX -0.00007 0.00038 0.00002 0.00045 0.00004 53 3PY -0.00035 0.00081 0.00000 0.00003 0.00015 54 3PZ -0.00095 0.00011 0.00007 0.00003 0.00018 55 4XX -0.00001 0.00000 0.00000 0.00000 -0.00003 56 4YY 0.00002 -0.00008 0.00000 -0.00001 0.00000 57 4ZZ -0.00006 0.00007 0.00000 -0.00001 -0.00002 58 4XY 0.00000 0.00001 0.00000 0.00002 0.00000 59 4XZ -0.00001 -0.00007 0.00001 -0.00005 0.00001 60 4YZ 0.00000 -0.00007 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00001 0.00000 0.00000 0.00000 0.00001 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00005 -0.00001 0.00000 0.00000 0.00005 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.00026 -0.00011 0.00001 0.00000 0.00006 67 3PX 0.00001 0.00000 0.00000 -0.00001 0.00000 68 3PY 0.00058 -0.00029 0.00001 -0.00001 0.00017 69 3PZ 0.00000 0.00001 0.00000 0.00000 0.00001 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 0.00001 0.00000 0.00000 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.00002 0.00001 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 -0.00002 0.00000 0.00000 83 3PY -0.00005 0.00001 0.00000 0.00000 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S -0.00002 0.00000 0.00000 0.00000 0.00000 93 8 H 1S -0.00001 0.00006 0.00000 0.00005 0.00000 94 2S -0.00035 0.00070 -0.00002 0.00009 -0.00002 95 9 H 1S 0.00754 -0.00119 0.00009 0.00001 0.00008 96 2S 0.00684 -0.00308 0.00002 0.00000 0.00001 97 10 H 1S 0.00000 0.00001 0.00000 0.00008 0.00000 98 2S -0.00014 -0.00023 -0.00001 0.00030 -0.00002 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S -0.00001 0.00001 0.00000 0.00000 0.00000 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S -0.00002 0.00000 0.00000 0.00000 -0.00001 105 14 H 1S 0.00000 0.00014 0.00000 0.00002 0.00000 106 2S -0.00012 0.00070 0.00000 0.00008 -0.00003 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00002 0.00000 124 2PX -0.00001 0.00000 0.00003 0.00009 0.00001 125 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 126 2PZ 0.00000 0.00000 0.00001 0.00001 0.00000 127 3S -0.00017 -0.00001 0.00003 0.00009 0.00000 128 3PX -0.00022 0.00002 0.00005 0.00022 0.00004 129 3PY 0.00000 -0.00004 0.00000 0.00006 0.00000 130 3PZ -0.00007 -0.00001 0.00005 0.00001 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00002 -0.00002 0.00000 0.00001 0.00000 143 3PX -0.00002 -0.00004 0.00002 0.00001 0.00000 144 3PY 0.00003 0.00001 0.00000 -0.00001 0.00000 145 3PZ -0.00001 -0.00002 0.00000 0.00000 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 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 -0.00002 0.00003 0.00000 0.00002 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 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 4 C 1S 2.05092 47 2S -0.01170 0.30682 48 2PX 0.00000 0.00000 0.41187 49 2PY 0.00000 0.00000 0.00000 0.38124 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.38896 51 3S -0.03425 0.22724 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.10595 0.00000 0.00000 53 3PY 0.00000 0.00000 0.00000 0.09887 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.10248 55 4XX -0.00141 0.00014 0.00000 0.00000 0.00000 56 4YY -0.00123 -0.00365 0.00000 0.00000 0.00000 57 4ZZ -0.00129 -0.00249 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 -0.00013 0.00000 -0.00105 0.00000 62 2S -0.00013 0.00349 0.00000 0.02291 0.00000 63 2PX 0.00000 0.00000 -0.00004 0.00000 0.00000 64 2PY -0.00105 0.02291 0.00000 0.07729 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00042 66 3S 0.00028 0.00260 0.00000 0.02762 0.00000 67 3PX 0.00000 0.00000 -0.00093 0.00000 0.00000 68 3PY -0.00147 0.02052 0.00000 0.03407 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00123 70 4XX 0.00000 -0.00023 0.00000 -0.00056 0.00000 71 4YY -0.00011 0.00250 0.00000 0.00251 0.00000 72 4ZZ 0.00000 -0.00022 0.00000 -0.00064 0.00000 73 4XY 0.00000 0.00000 0.00114 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 0.00104 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00002 0.00000 -0.00011 -0.00004 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00000 -0.00008 -0.00001 -0.00027 -0.00004 80 2PZ 0.00000 -0.00005 0.00000 -0.00017 -0.00006 81 3S 0.00002 -0.00040 -0.00011 -0.00123 0.00017 82 3PX 0.00001 -0.00009 -0.00004 -0.00020 -0.00019 83 3PY 0.00005 -0.00095 0.00000 -0.00108 0.00178 84 3PZ 0.00001 -0.00046 0.00005 -0.00158 -0.00044 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00001 0.00000 0.00005 0.00000 87 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00001 0.00000 0.00005 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00008 0.00009 0.00001 0.00033 95 9 H 1S 0.00000 -0.00013 -0.00001 -0.00028 -0.00025 96 2S 0.00016 -0.00247 -0.00020 -0.00446 -0.00431 97 10 H 1S -0.00170 0.02784 0.07933 0.01254 0.00672 98 2S -0.00043 0.00951 0.05033 0.00744 0.00403 99 11 H 1S 0.00000 -0.00011 -0.00012 -0.00032 0.00000 100 2S 0.00009 -0.00166 -0.00196 -0.00464 -0.00003 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00006 0.00000 0.00029 0.00004 103 13 H 1S 0.00000 -0.00013 -0.00008 -0.00033 -0.00008 104 2S 0.00013 -0.00208 -0.00121 -0.00487 -0.00081 105 14 H 1S -0.00166 0.02734 0.04266 0.00966 0.04456 106 2S -0.00064 0.00994 0.02850 0.00581 0.02893 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 -0.00002 -0.00006 0.00000 0.00000 113 3PX 0.00000 0.00002 0.00014 0.00002 0.00001 114 3PY 0.00000 0.00000 0.00003 0.00000 0.00000 115 3PZ 0.00000 -0.00001 -0.00013 0.00001 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 -0.00001 0.00000 -0.00001 124 2PX 0.00000 -0.00001 -0.00001 0.00000 -0.00003 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 -0.00002 -0.00002 0.00000 -0.00004 127 3S 0.00001 -0.00003 -0.00003 -0.00001 0.00044 128 3PX 0.00002 -0.00065 -0.00038 0.00000 -0.00139 129 3PY 0.00000 -0.00002 -0.00001 -0.00002 -0.00005 130 3PZ 0.00004 -0.00040 -0.00034 0.00000 -0.00007 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 -0.00017 0.00000 -0.00002 -0.00038 143 3PX 0.00001 -0.00011 0.00007 -0.00012 -0.00016 144 3PY 0.00000 -0.00002 -0.00009 0.00002 -0.00014 145 3PZ 0.00001 -0.00033 0.00003 -0.00001 -0.00046 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 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 -0.00002 0.00018 -0.00001 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00002 0.00001 0.00000 0.00004 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 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 0.00001 0.00000 0.00000 0.00001 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 -0.00001 -0.00010 0.00000 -0.00004 181 3PX 0.00000 -0.00005 -0.00014 -0.00001 -0.00005 182 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 183 3PZ 0.00000 -0.00002 -0.00010 -0.00001 0.00002 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 3S 0.30210 52 3PX 0.00000 0.08585 53 3PY 0.00000 0.00000 0.08588 54 3PZ 0.00000 0.00000 0.00000 0.09074 55 4XX -0.00022 0.00000 0.00000 0.00000 0.00114 56 4YY -0.00323 0.00000 0.00000 0.00000 -0.00011 57 4ZZ -0.00010 0.00000 0.00000 0.00000 -0.00006 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00028 0.00000 -0.00147 0.00000 0.00000 62 2S 0.00260 0.00000 0.02052 0.00000 -0.00023 63 2PX 0.00000 -0.00093 0.00000 0.00000 0.00000 64 2PY 0.02762 0.00000 0.03407 0.00000 -0.00056 65 2PZ 0.00000 0.00000 0.00000 -0.00123 0.00000 66 3S -0.01566 0.00000 0.01958 0.00000 -0.00079 67 3PX 0.00000 -0.00257 0.00000 0.00000 0.00000 68 3PY 0.01958 0.00000 0.01442 0.00000 -0.00111 69 3PZ 0.00000 0.00000 0.00000 -0.00415 0.00000 70 4XX -0.00079 0.00000 -0.00111 0.00000 0.00000 71 4YY 0.00369 0.00000 0.00189 0.00000 -0.00001 72 4ZZ -0.00124 0.00000 -0.00167 0.00000 0.00000 73 4XY 0.00000 0.00074 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 0.00072 0.00000 76 6 C 1S 0.00000 0.00000 0.00009 0.00000 0.00000 77 2S -0.00058 -0.00008 -0.00203 -0.00047 0.00000 78 2PX -0.00039 0.00020 -0.00020 -0.00018 0.00000 79 2PY -0.00336 -0.00018 -0.00450 -0.00023 0.00000 80 2PZ 0.00006 0.00002 -0.00131 -0.00028 0.00000 81 3S -0.00142 -0.00033 -0.00425 0.00049 0.00001 82 3PX -0.00184 0.00051 -0.00083 -0.00062 0.00001 83 3PY -0.00547 -0.00015 -0.00385 0.00275 -0.00005 84 3PZ 0.00200 0.00022 -0.00215 -0.00015 0.00000 85 4XX -0.00002 0.00000 -0.00003 -0.00003 0.00000 86 4YY 0.00026 0.00001 0.00058 0.00000 0.00000 87 4ZZ -0.00011 0.00000 -0.00029 0.00001 0.00000 88 4XY 0.00001 0.00000 0.00001 0.00000 0.00000 89 4XZ 0.00000 -0.00001 -0.00001 0.00000 0.00000 90 4YZ 0.00006 0.00000 0.00017 0.00001 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S -0.00001 -0.00005 -0.00001 -0.00008 0.00000 93 8 H 1S 0.00008 0.00002 0.00001 0.00020 0.00000 94 2S 0.00142 0.00048 0.00015 0.00283 -0.00001 95 9 H 1S -0.00400 -0.00014 -0.00097 -0.00282 0.00000 96 2S -0.01623 -0.00051 -0.00527 -0.00972 -0.00003 97 10 H 1S 0.03034 0.05115 0.00787 0.00548 0.00438 98 2S -0.00478 0.04891 0.00646 0.00408 0.00431 99 11 H 1S -0.00122 -0.00112 -0.00278 -0.00020 0.00000 100 2S -0.00090 -0.00407 -0.00869 -0.00031 -0.00005 101 12 H 1S 0.00007 0.00000 0.00023 0.00000 0.00000 102 2S 0.00130 0.00003 0.00301 0.00018 0.00000 103 13 H 1S -0.00222 -0.00056 -0.00202 -0.00076 0.00000 104 2S -0.00793 -0.00243 -0.00760 -0.00160 0.00013 105 14 H 1S 0.03402 0.02646 0.00710 0.02917 0.00062 106 2S 0.01332 0.02782 0.00656 0.02844 0.00050 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S -0.00001 -0.00004 0.00000 0.00000 0.00000 109 2PX -0.00002 -0.00005 0.00000 -0.00001 0.00000 110 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 111 2PZ -0.00003 -0.00006 0.00001 0.00000 0.00000 112 3S -0.00008 -0.00026 0.00001 -0.00001 0.00000 113 3PX 0.00016 0.00044 0.00013 0.00005 0.00000 114 3PY 0.00001 -0.00001 -0.00001 0.00002 0.00000 115 3PZ -0.00013 -0.00058 0.00006 -0.00007 0.00000 116 4XX 0.00001 0.00000 0.00000 0.00001 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00002 0.00000 0.00002 0.00000 123 2S -0.00015 -0.00016 0.00000 -0.00035 0.00000 124 2PX -0.00017 -0.00018 0.00001 -0.00008 0.00000 125 2PY 0.00000 -0.00001 0.00003 0.00000 0.00000 126 2PZ -0.00002 0.00018 0.00002 -0.00037 0.00000 127 3S 0.00071 -0.00008 0.00000 0.00096 0.00000 128 3PX -0.00064 -0.00045 0.00004 -0.00201 -0.00002 129 3PY -0.00007 -0.00004 -0.00002 -0.00009 0.00000 130 3PZ 0.00100 -0.00007 0.00005 0.00026 -0.00006 131 4XX 0.00004 0.00004 0.00000 -0.00011 0.00000 132 4YY -0.00002 -0.00001 0.00000 0.00000 0.00000 133 4ZZ 0.00001 -0.00003 0.00000 0.00015 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00002 0.00000 0.00000 0.00002 0.00000 136 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S -0.00007 0.00001 0.00001 -0.00004 0.00000 139 2PX -0.00023 0.00009 -0.00007 -0.00029 0.00000 140 2PY -0.00005 -0.00002 0.00001 0.00000 0.00000 141 2PZ -0.00031 0.00010 -0.00016 -0.00029 0.00000 142 3S -0.00190 0.00017 -0.00011 -0.00170 0.00001 143 3PX -0.00155 0.00026 -0.00060 -0.00095 0.00001 144 3PY -0.00028 -0.00044 0.00001 -0.00014 0.00000 145 3PZ -0.00263 0.00062 -0.00038 -0.00169 0.00002 146 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 148 4ZZ 0.00002 0.00000 0.00000 0.00002 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S -0.00008 -0.00006 0.00000 0.00000 0.00000 153 2S -0.00056 0.00109 -0.00010 0.00006 0.00001 154 19 H 1S -0.00001 -0.00002 0.00000 0.00002 0.00000 155 2S -0.00002 -0.00010 0.00003 0.00049 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00014 -0.00002 0.00008 0.00006 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00002 0.00001 0.00001 0.00002 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00002 -0.00001 -0.00002 0.00000 0.00000 163 2PY 0.00000 -0.00002 0.00000 0.00001 0.00000 164 2PZ 0.00001 0.00002 -0.00001 0.00000 0.00000 165 3S 0.00006 -0.00005 -0.00001 0.00012 0.00000 166 3PX 0.00035 -0.00009 -0.00017 0.00008 0.00000 167 3PY -0.00004 -0.00024 -0.00002 0.00010 0.00000 168 3PZ 0.00015 0.00012 -0.00007 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S -0.00009 -0.00007 -0.00001 0.00001 0.00000 177 2PX -0.00006 -0.00019 -0.00004 0.00028 0.00000 178 2PY 0.00002 0.00004 -0.00002 -0.00002 0.00000 179 2PZ -0.00006 -0.00031 -0.00004 0.00019 0.00000 180 3S -0.00078 -0.00100 -0.00007 -0.00014 0.00000 181 3PX -0.00049 -0.00116 -0.00026 0.00167 0.00001 182 3PY 0.00015 0.00019 -0.00015 -0.00013 0.00000 183 3PZ -0.00046 -0.00169 -0.00024 0.00090 0.00000 184 4XX -0.00001 -0.00001 -0.00001 0.00002 0.00000 185 4YY 0.00001 0.00002 0.00000 -0.00001 0.00000 186 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00001 0.00002 0.00000 0.00001 0.00000 189 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 56 57 58 59 60 56 4YY 0.00121 57 4ZZ -0.00011 0.00105 58 4XY 0.00000 0.00000 0.00096 59 4XZ 0.00000 0.00000 0.00000 0.00130 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00091 61 5 C 1S -0.00011 0.00000 0.00000 0.00000 0.00000 62 2S 0.00250 -0.00022 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00000 0.00114 0.00000 0.00000 64 2PY 0.00251 -0.00064 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00104 66 3S 0.00369 -0.00124 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.00074 0.00000 0.00000 68 3PY 0.00189 -0.00167 0.00000 0.00000 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00072 70 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 71 4YY -0.00002 -0.00001 0.00000 0.00000 0.00000 72 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 -0.00016 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 -0.00012 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00000 0.00001 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00001 -0.00001 0.00000 0.00000 0.00003 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00002 81 3S 0.00002 -0.00002 0.00001 0.00000 0.00005 82 3PX 0.00003 -0.00004 0.00002 -0.00002 0.00002 83 3PY 0.00004 0.00006 0.00000 0.00000 0.00002 84 3PZ -0.00010 0.00006 0.00001 -0.00001 0.00007 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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 95 9 H 1S 0.00004 -0.00001 0.00000 0.00000 0.00004 96 2S 0.00065 -0.00038 0.00001 -0.00001 0.00010 97 10 H 1S -0.00079 -0.00093 0.00195 0.00104 0.00021 98 2S -0.00101 -0.00230 0.00042 0.00029 0.00003 99 11 H 1S 0.00002 0.00000 0.00005 0.00000 0.00000 100 2S -0.00016 0.00020 0.00028 -0.00001 0.00002 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 103 13 H 1S 0.00003 0.00000 0.00003 0.00000 0.00003 104 2S -0.00003 0.00003 0.00017 -0.00003 0.00015 105 14 H 1S -0.00087 0.00099 0.00087 0.00338 0.00098 106 2S -0.00155 0.00172 0.00021 0.00078 0.00021 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 127 3S -0.00002 0.00004 0.00000 0.00002 0.00000 128 3PX -0.00004 0.00017 0.00000 0.00009 0.00000 129 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 130 3PZ -0.00006 0.00016 0.00000 0.00014 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00000 0.00000 0.00001 0.00001 143 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 144 3PY 0.00001 -0.00001 0.00000 0.00000 0.00000 145 3PZ -0.00001 0.00000 0.00000 0.00001 0.00001 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 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 -0.00001 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 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 5 C 1S 2.05092 62 2S -0.01170 0.30682 63 2PX 0.00000 0.00000 0.41187 64 2PY 0.00000 0.00000 0.00000 0.38124 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.38896 66 3S -0.03425 0.22724 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.10595 0.00000 0.00000 68 3PY 0.00000 0.00000 0.00000 0.09886 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.10248 70 4XX -0.00141 0.00014 0.00000 0.00000 0.00000 71 4YY -0.00123 -0.00365 0.00000 0.00000 0.00000 72 4ZZ -0.00129 -0.00249 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 -0.00020 -0.00009 -0.00019 -0.00117 77 2S -0.00019 0.00510 0.00177 0.00371 0.02397 78 2PX -0.00012 0.00225 0.00002 0.00070 0.00790 79 2PY -0.00024 0.00423 0.00094 -0.00061 0.01390 80 2PZ -0.00095 0.01884 0.00649 0.01257 0.04482 81 3S -0.00008 0.00439 0.00232 0.00318 0.02221 82 3PX -0.00013 0.00144 0.00002 0.00032 0.00379 83 3PY -0.00030 0.00327 0.00013 -0.00170 0.00268 84 3PZ -0.00056 0.01093 0.00151 0.00724 0.01200 85 4XX 0.00000 -0.00025 0.00003 -0.00003 -0.00056 86 4YY 0.00001 -0.00028 -0.00004 -0.00005 -0.00047 87 4ZZ -0.00008 0.00173 0.00057 0.00113 -0.00015 88 4XY 0.00000 0.00008 0.00002 0.00000 0.00023 89 4XZ -0.00002 0.00027 0.00055 0.00016 0.00037 90 4YZ -0.00004 0.00071 0.00018 0.00007 0.00127 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00008 0.00009 0.00001 0.00033 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00006 0.00000 0.00029 0.00004 97 10 H 1S 0.00000 -0.00011 -0.00012 -0.00032 0.00000 98 2S 0.00009 -0.00166 -0.00196 -0.00464 -0.00003 99 11 H 1S -0.00170 0.02784 0.07933 0.01254 0.00673 100 2S -0.00043 0.00951 0.05033 0.00744 0.00403 101 12 H 1S 0.00000 -0.00013 -0.00001 -0.00028 -0.00025 102 2S 0.00016 -0.00247 -0.00020 -0.00446 -0.00431 103 13 H 1S -0.00166 0.02734 0.04266 0.00966 0.04456 104 2S -0.00064 0.00994 0.02850 0.00581 0.02893 105 14 H 1S 0.00000 -0.00013 -0.00008 -0.00033 -0.00008 106 2S 0.00013 -0.00208 -0.00121 -0.00487 -0.00081 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 -0.00002 -0.00006 0.00000 0.00000 113 3PX 0.00000 0.00002 0.00014 0.00002 0.00001 114 3PY 0.00000 0.00000 0.00003 0.00000 0.00000 115 3PZ 0.00000 -0.00001 -0.00013 0.00001 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.00017 0.00000 -0.00002 -0.00038 128 3PX 0.00001 -0.00011 0.00007 -0.00012 -0.00016 129 3PY 0.00000 -0.00002 -0.00009 0.00002 -0.00014 130 3PZ 0.00001 -0.00033 0.00003 -0.00001 -0.00046 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 -0.00001 0.00000 -0.00001 139 2PX 0.00000 -0.00001 -0.00001 0.00000 -0.00003 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 -0.00002 -0.00002 0.00000 -0.00004 142 3S 0.00001 -0.00003 -0.00003 -0.00001 0.00044 143 3PX 0.00002 -0.00065 -0.00038 0.00000 -0.00139 144 3PY 0.00000 -0.00002 -0.00001 -0.00002 -0.00005 145 3PZ 0.00004 -0.00040 -0.00034 0.00000 -0.00007 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 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 -0.00002 0.00018 -0.00001 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 0.00002 0.00001 0.00000 0.00004 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 -0.00001 -0.00010 0.00000 -0.00004 166 3PX 0.00000 -0.00005 -0.00014 -0.00001 -0.00005 167 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 168 3PZ 0.00000 -0.00002 -0.00010 -0.00001 0.00002 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00001 0.00000 0.00000 0.00001 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 3S 0.30210 67 3PX 0.00000 0.08585 68 3PY 0.00000 0.00000 0.08588 69 3PZ 0.00000 0.00000 0.00000 0.09074 70 4XX -0.00022 0.00000 0.00000 0.00000 0.00114 71 4YY -0.00323 0.00000 0.00000 0.00000 -0.00011 72 4ZZ -0.00010 0.00000 0.00000 0.00000 -0.00006 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 0.00013 -0.00008 -0.00024 -0.00127 0.00000 77 2S 0.00692 0.00179 0.00226 0.01980 -0.00030 78 2PX 0.00564 -0.00001 0.00058 0.00425 0.00003 79 2PY 0.00982 0.00069 0.00034 0.00822 -0.00007 80 2PZ 0.01743 0.00365 0.00760 0.01548 -0.00038 81 3S 0.00013 0.00180 0.00225 0.01207 -0.00096 82 3PX 0.00758 -0.00074 0.00009 0.00263 -0.00026 83 3PY 0.00649 -0.00003 -0.00189 0.00065 0.00001 84 3PZ -0.00033 0.00122 0.00562 0.00190 0.00003 85 4XX -0.00076 -0.00020 -0.00013 -0.00046 0.00002 86 4YY -0.00147 -0.00007 -0.00035 -0.00095 -0.00001 87 4ZZ 0.00324 0.00038 0.00081 0.00011 0.00000 88 4XY 0.00007 0.00002 0.00000 0.00007 0.00000 89 4XZ 0.00015 0.00045 0.00003 0.00003 0.00000 90 4YZ 0.00037 0.00004 0.00015 0.00018 -0.00003 91 7 H 1S 0.00008 0.00002 0.00001 0.00020 0.00000 92 2S 0.00142 0.00048 0.00015 0.00283 -0.00001 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S -0.00001 -0.00005 -0.00001 -0.00008 0.00000 95 9 H 1S 0.00007 0.00000 0.00023 0.00000 0.00000 96 2S 0.00130 0.00003 0.00301 0.00018 0.00000 97 10 H 1S -0.00122 -0.00112 -0.00278 -0.00020 0.00000 98 2S -0.00090 -0.00407 -0.00869 -0.00031 -0.00005 99 11 H 1S 0.03034 0.05115 0.00787 0.00549 0.00438 100 2S -0.00478 0.04890 0.00646 0.00408 0.00431 101 12 H 1S -0.00400 -0.00014 -0.00097 -0.00282 0.00000 102 2S -0.01623 -0.00051 -0.00527 -0.00972 -0.00003 103 13 H 1S 0.03402 0.02646 0.00710 0.02917 0.00062 104 2S 0.01332 0.02782 0.00656 0.02844 0.00050 105 14 H 1S -0.00222 -0.00056 -0.00202 -0.00076 0.00000 106 2S -0.00793 -0.00243 -0.00760 -0.00160 0.00013 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S -0.00001 -0.00004 0.00000 0.00000 0.00000 109 2PX -0.00002 -0.00005 0.00000 -0.00001 0.00000 110 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 111 2PZ -0.00003 -0.00006 0.00001 0.00000 0.00000 112 3S -0.00008 -0.00026 0.00001 -0.00001 0.00000 113 3PX 0.00016 0.00044 0.00013 0.00005 0.00000 114 3PY 0.00001 -0.00001 -0.00001 0.00002 0.00000 115 3PZ -0.00013 -0.00058 0.00006 -0.00007 0.00000 116 4XX 0.00001 0.00000 0.00000 0.00001 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S -0.00007 0.00001 0.00001 -0.00004 0.00000 124 2PX -0.00023 0.00009 -0.00007 -0.00029 0.00000 125 2PY -0.00005 -0.00002 0.00001 0.00000 0.00000 126 2PZ -0.00031 0.00010 -0.00016 -0.00029 0.00000 127 3S -0.00190 0.00017 -0.00011 -0.00170 0.00001 128 3PX -0.00155 0.00026 -0.00060 -0.00095 0.00001 129 3PY -0.00028 -0.00044 0.00001 -0.00014 0.00000 130 3PZ -0.00263 0.00062 -0.00038 -0.00169 0.00002 131 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 133 4ZZ 0.00002 0.00000 0.00000 0.00002 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00002 0.00000 0.00002 0.00000 138 2S -0.00015 -0.00016 0.00000 -0.00035 0.00000 139 2PX -0.00017 -0.00018 0.00001 -0.00008 0.00000 140 2PY 0.00000 -0.00001 0.00003 0.00000 0.00000 141 2PZ -0.00002 0.00018 0.00002 -0.00037 0.00000 142 3S 0.00071 -0.00008 0.00000 0.00096 0.00000 143 3PX -0.00064 -0.00045 0.00004 -0.00201 -0.00002 144 3PY -0.00007 -0.00004 -0.00002 -0.00009 0.00000 145 3PZ 0.00100 -0.00007 0.00005 0.00026 -0.00006 146 4XX 0.00004 0.00004 0.00000 -0.00011 0.00000 147 4YY -0.00002 -0.00001 0.00000 0.00000 0.00000 148 4ZZ 0.00001 -0.00003 0.00000 0.00015 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00002 0.00000 0.00000 0.00002 0.00000 151 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 152 18 H 1S -0.00008 -0.00006 0.00000 0.00000 0.00000 153 2S -0.00056 0.00109 -0.00010 0.00006 0.00001 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00014 -0.00002 0.00008 0.00006 0.00000 156 20 H 1S -0.00001 -0.00002 0.00000 0.00002 0.00000 157 2S -0.00002 -0.00010 0.00003 0.00049 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00002 0.00001 0.00001 0.00002 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S -0.00009 -0.00007 -0.00001 0.00001 0.00000 162 2PX -0.00006 -0.00019 -0.00004 0.00028 0.00000 163 2PY 0.00002 0.00004 -0.00002 -0.00002 0.00000 164 2PZ -0.00006 -0.00031 -0.00004 0.00019 0.00000 165 3S -0.00078 -0.00100 -0.00007 -0.00014 0.00000 166 3PX -0.00049 -0.00116 -0.00026 0.00167 0.00001 167 3PY 0.00015 0.00019 -0.00015 -0.00013 0.00000 168 3PZ -0.00046 -0.00169 -0.00024 0.00090 0.00000 169 4XX -0.00001 -0.00001 -0.00001 0.00002 0.00000 170 4YY 0.00001 0.00002 0.00000 -0.00001 0.00000 171 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00001 0.00002 0.00000 0.00001 0.00000 174 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00002 -0.00001 -0.00002 0.00000 0.00000 178 2PY 0.00000 -0.00002 0.00000 0.00001 0.00000 179 2PZ 0.00001 0.00002 -0.00001 0.00000 0.00000 180 3S 0.00006 -0.00005 -0.00001 0.00012 0.00000 181 3PX 0.00035 -0.00009 -0.00017 0.00008 0.00000 182 3PY -0.00004 -0.00024 -0.00002 0.00010 0.00000 183 3PZ 0.00015 0.00012 -0.00007 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 72 73 74 75 71 4YY 0.00121 72 4ZZ -0.00011 0.00105 73 4XY 0.00000 0.00000 0.00096 74 4XZ 0.00000 0.00000 0.00000 0.00130 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00091 76 6 C 1S 0.00000 -0.00007 0.00000 -0.00002 -0.00005 77 2S -0.00018 0.00165 0.00007 0.00039 0.00082 78 2PX -0.00003 0.00057 0.00004 0.00047 0.00023 79 2PY -0.00006 0.00108 0.00000 0.00020 0.00005 80 2PZ -0.00029 0.00023 0.00021 0.00058 0.00129 81 3S -0.00038 0.00238 0.00004 0.00013 0.00035 82 3PX -0.00014 0.00065 0.00006 0.00053 0.00005 83 3PY -0.00034 0.00048 0.00001 0.00001 0.00023 84 3PZ -0.00005 -0.00049 0.00003 0.00015 0.00018 85 4XX 0.00000 -0.00005 0.00000 0.00000 -0.00002 86 4YY 0.00002 -0.00006 0.00000 -0.00001 0.00000 87 4ZZ -0.00008 0.00007 0.00001 -0.00007 -0.00007 88 4XY 0.00000 0.00000 0.00000 0.00001 0.00000 89 4XZ -0.00001 -0.00001 0.00002 -0.00005 0.00000 90 4YZ 0.00000 -0.00002 0.00000 0.00001 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 97 10 H 1S 0.00002 0.00000 0.00005 0.00000 0.00000 98 2S -0.00016 0.00020 0.00028 -0.00001 0.00002 99 11 H 1S -0.00079 -0.00093 0.00195 0.00104 0.00021 100 2S -0.00101 -0.00230 0.00042 0.00029 0.00003 101 12 H 1S 0.00004 -0.00001 0.00000 0.00000 0.00004 102 2S 0.00065 -0.00038 0.00001 -0.00001 0.00010 103 13 H 1S -0.00087 0.00099 0.00087 0.00338 0.00098 104 2S -0.00155 0.00172 0.00021 0.00078 0.00021 105 14 H 1S 0.00003 0.00000 0.00003 0.00000 0.00003 106 2S -0.00003 0.00003 0.00017 -0.00003 0.00015 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 0.00000 0.00000 0.00001 0.00001 128 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 129 3PY 0.00001 -0.00001 0.00000 0.00000 0.00000 130 3PZ -0.00001 0.00000 0.00000 0.00001 0.00001 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 140 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 142 3S -0.00002 0.00004 0.00000 0.00002 0.00000 143 3PX -0.00004 0.00017 0.00000 0.00009 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 145 3PZ -0.00006 0.00016 0.00000 0.00014 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 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 -0.00001 0.00000 0.00000 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 77 78 79 80 76 6 C 1S 2.05499 77 2S -0.01344 0.32633 78 2PX 0.00000 0.00000 0.35439 79 2PY 0.00000 0.00000 0.00000 0.41151 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.38399 81 3S -0.03645 0.23612 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 0.11188 0.00000 0.00000 83 3PY 0.00000 0.00000 0.00000 0.07408 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.09697 85 4XX -0.00090 -0.00921 0.00000 0.00000 0.00000 86 4YY -0.00145 0.00112 0.00000 0.00000 0.00000 87 4ZZ -0.00111 -0.00519 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 H 1S 0.00000 -0.00020 -0.00035 0.00000 -0.00037 92 2S 0.00026 -0.00342 -0.00577 0.00001 -0.00550 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00013 0.00023 0.00019 0.00011 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00002 0.00000 0.00006 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00009 0.00011 0.00015 0.00006 99 11 H 1S 0.00000 -0.00015 -0.00026 0.00000 -0.00029 100 2S 0.00020 -0.00288 -0.00585 -0.00011 -0.00246 101 12 H 1S -0.00196 0.03098 0.00105 0.09692 0.00070 102 2S -0.00121 0.01237 0.00024 0.06457 0.00049 103 13 H 1S 0.00000 -0.00019 0.00001 -0.00001 -0.00045 104 2S 0.00018 -0.00332 -0.00013 -0.00012 -0.00666 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00006 0.00001 0.00010 0.00023 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00002 0.00000 0.00000 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.00020 -0.00015 -0.00051 0.00013 128 3PX 0.00001 -0.00046 -0.00029 -0.00024 -0.00025 129 3PY -0.00001 0.00003 -0.00009 -0.00035 0.00017 130 3PZ 0.00000 -0.00022 -0.00033 -0.00015 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 -0.00008 0.00013 0.00001 0.00005 139 2PX 0.00000 0.00003 0.00204 0.00028 0.00071 140 2PY 0.00000 -0.00002 0.00020 -0.00001 0.00004 141 2PZ 0.00000 0.00007 0.00111 0.00010 0.00022 142 3S 0.00016 -0.00065 0.00234 0.00090 -0.00066 143 3PX 0.00003 -0.00040 0.00812 0.00149 0.00512 144 3PY 0.00000 -0.00033 0.00105 0.00026 0.00060 145 3PZ 0.00004 0.00025 0.00632 0.00056 0.00003 146 4XX 0.00000 0.00003 0.00012 0.00002 0.00006 147 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 148 4ZZ 0.00000 0.00000 -0.00003 0.00000 -0.00001 149 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 150 4XZ 0.00000 0.00002 0.00007 0.00001 0.00001 151 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 153 2S 0.00000 0.00000 0.00003 0.00000 -0.00001 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 0.00002 0.00003 0.00003 0.00003 156 20 H 1S 0.00000 -0.00002 -0.00005 0.00000 -0.00004 157 2S 0.00003 -0.00065 -0.00108 0.00000 -0.00122 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 -0.00009 0.00000 0.00001 166 3PX 0.00000 -0.00011 -0.00099 -0.00002 -0.00003 167 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 168 3PZ 0.00000 -0.00001 -0.00009 0.00000 0.00005 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 3S 0.30061 82 3PX 0.00000 0.12487 83 3PY 0.00000 0.00000 0.05321 84 3PZ 0.00000 0.00000 0.00000 0.09658 85 4XX -0.00711 0.00000 0.00000 0.00000 0.00149 86 4YY 0.00243 0.00000 0.00000 0.00000 -0.00017 87 4ZZ -0.00427 0.00000 0.00000 0.00000 0.00002 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 H 1S -0.00410 -0.00228 -0.00011 -0.00102 0.00002 92 2S -0.01509 -0.01064 -0.00027 -0.00393 0.00015 93 8 H 1S 0.00011 0.00012 0.00006 0.00007 0.00000 94 2S 0.00169 0.00167 0.00108 0.00063 0.00000 95 9 H 1S 0.00000 0.00000 -0.00003 0.00000 0.00000 96 2S 0.00020 0.00003 -0.00016 0.00001 0.00000 97 10 H 1S 0.00004 0.00005 -0.00005 0.00002 0.00000 98 2S 0.00041 0.00088 -0.00025 -0.00009 0.00000 99 11 H 1S -0.00231 -0.00206 0.00009 0.00032 0.00003 100 2S -0.01153 -0.01242 -0.00013 0.00542 0.00057 101 12 H 1S 0.04240 0.00025 0.04297 0.00017 -0.00103 102 2S 0.02340 -0.00063 0.04178 -0.00010 -0.00176 103 13 H 1S -0.00122 -0.00012 0.00015 -0.00578 0.00000 104 2S -0.00380 -0.00091 0.00030 -0.01806 -0.00007 105 14 H 1S -0.00001 0.00000 -0.00011 0.00024 0.00000 106 2S 0.00004 0.00006 -0.00014 0.00192 0.00001 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00001 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00002 0.00001 0.00001 -0.00001 0.00000 110 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00009 0.00016 0.00004 -0.00002 0.00000 113 3PX 0.00002 -0.00008 -0.00005 -0.00002 0.00000 114 3PY -0.00005 -0.00006 0.00000 0.00000 0.00000 115 3PZ 0.00002 0.00004 0.00002 0.00010 0.00000 116 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 123 2S -0.00008 -0.00017 -0.00005 -0.00007 0.00000 124 2PX 0.00018 -0.00033 0.00062 0.00000 0.00000 125 2PY -0.00011 -0.00054 -0.00002 -0.00031 0.00000 126 2PZ 0.00003 -0.00033 0.00023 0.00000 0.00000 127 3S -0.00008 -0.00065 -0.00001 0.00038 0.00004 128 3PX 0.00010 -0.00161 0.00159 -0.00078 0.00010 129 3PY -0.00080 0.00022 -0.00060 -0.00008 -0.00008 130 3PZ 0.00043 -0.00177 0.00093 -0.00006 0.00007 131 4XX 0.00001 -0.00002 0.00002 -0.00001 0.00000 132 4YY 0.00001 0.00000 0.00001 0.00000 0.00000 133 4ZZ -0.00001 0.00001 -0.00002 0.00000 0.00000 134 4XY 0.00001 0.00007 0.00002 0.00004 0.00000 135 4XZ 0.00000 -0.00002 0.00001 0.00000 0.00000 136 4YZ 0.00001 0.00005 0.00001 0.00000 0.00000 137 17 C 1S 0.00004 0.00004 -0.00002 -0.00005 0.00000 138 2S 0.00014 -0.00038 0.00039 0.00064 0.00003 139 2PX 0.00061 0.00776 0.00085 0.00475 0.00009 140 2PY 0.00007 0.00087 -0.00007 0.00059 0.00003 141 2PZ 0.00128 0.00549 0.00059 0.00007 0.00004 142 3S 0.00126 0.00244 0.00172 0.00107 0.00037 143 3PX 0.00341 0.01261 0.00220 0.01182 0.00046 144 3PY 0.00015 0.00214 -0.00001 0.00151 0.00013 145 3PZ 0.00207 0.01154 0.00088 -0.00216 0.00026 146 4XX 0.00056 0.00070 0.00021 0.00048 -0.00001 147 4YY -0.00011 -0.00015 -0.00003 -0.00009 0.00000 148 4ZZ -0.00023 -0.00026 -0.00012 -0.00012 0.00000 149 4XY -0.00001 0.00006 0.00004 0.00003 0.00000 150 4XZ 0.00006 0.00018 0.00002 0.00001 0.00000 151 4YZ 0.00000 0.00007 0.00001 0.00000 0.00000 152 18 H 1S 0.00001 0.00001 0.00001 0.00000 0.00000 153 2S 0.00037 0.00025 0.00025 -0.00019 0.00000 154 19 H 1S 0.00000 0.00004 -0.00001 0.00002 0.00000 155 2S 0.00009 0.00051 -0.00013 0.00041 0.00000 156 20 H 1S -0.00059 -0.00157 0.00000 -0.00084 0.00000 157 2S -0.00382 -0.00490 -0.00003 -0.00395 0.00006 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S -0.00003 -0.00003 -0.00002 0.00000 0.00000 160 22 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 161 2S 0.00004 0.00008 0.00001 -0.00002 0.00000 162 2PX -0.00039 -0.00078 -0.00007 -0.00008 0.00000 163 2PY -0.00002 0.00002 0.00001 0.00000 0.00000 164 2PZ -0.00005 -0.00006 -0.00001 0.00011 0.00000 165 3S 0.00004 0.00079 0.00005 -0.00007 -0.00001 166 3PX -0.00341 -0.00509 -0.00042 -0.00053 0.00003 167 3PY -0.00013 0.00011 0.00010 -0.00002 0.00000 168 3PZ -0.00044 -0.00047 -0.00005 0.00119 0.00000 169 4XX -0.00002 0.00010 0.00000 0.00001 0.00000 170 4YY 0.00002 -0.00003 0.00000 0.00000 0.00000 171 4ZZ 0.00000 -0.00005 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 177 2PX 0.00000 0.00001 -0.00001 0.00000 0.00000 178 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S -0.00007 -0.00005 -0.00008 -0.00001 0.00000 181 3PX -0.00007 0.00013 -0.00022 0.00000 0.00000 182 3PY -0.00007 0.00009 -0.00003 0.00000 0.00000 183 3PZ -0.00001 0.00000 -0.00002 0.00002 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 87 88 89 90 86 4YY 0.00186 87 4ZZ -0.00024 0.00145 88 4XY 0.00000 0.00000 0.00042 89 4XZ 0.00000 0.00000 0.00000 0.00069 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00065 91 7 H 1S -0.00001 0.00006 0.00000 0.00005 0.00000 92 2S -0.00035 0.00070 -0.00002 0.00009 -0.00002 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S -0.00002 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S -0.00001 0.00001 0.00000 0.00000 0.00000 99 11 H 1S 0.00000 0.00001 0.00000 0.00008 0.00000 100 2S -0.00014 -0.00023 -0.00001 0.00030 -0.00002 101 12 H 1S 0.00754 -0.00119 0.00009 0.00001 0.00008 102 2S 0.00684 -0.00308 0.00002 0.00000 0.00001 103 13 H 1S 0.00000 0.00014 0.00000 0.00002 0.00000 104 2S -0.00012 0.00070 0.00000 0.00008 -0.00003 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S -0.00002 0.00000 0.00000 0.00000 -0.00001 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00002 -0.00002 0.00000 0.00001 0.00000 128 3PX -0.00002 -0.00004 0.00002 0.00001 0.00000 129 3PY 0.00003 0.00001 0.00000 -0.00001 0.00000 130 3PZ -0.00001 -0.00002 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00002 0.00000 139 2PX -0.00001 0.00000 0.00003 0.00009 0.00001 140 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 141 2PZ 0.00000 0.00000 0.00001 0.00001 0.00000 142 3S -0.00017 -0.00001 0.00003 0.00009 0.00000 143 3PX -0.00022 0.00002 0.00005 0.00022 0.00004 144 3PY 0.00000 -0.00004 0.00000 0.00006 0.00000 145 3PZ -0.00007 -0.00001 0.00005 0.00001 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 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 -0.00002 0.00003 0.00000 0.00002 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 92 93 94 95 91 7 H 1S 0.21693 92 2S 0.11783 0.17164 93 8 H 1S -0.00001 -0.00093 0.21693 94 2S -0.00093 -0.00553 0.11783 0.17164 95 9 H 1S 0.00000 0.00000 -0.00001 -0.00104 0.21714 96 2S 0.00000 -0.00014 -0.00105 -0.00589 0.11577 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 98 2S 0.00000 0.00002 0.00000 -0.00019 -0.00039 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 -0.00019 0.00000 0.00002 0.00000 101 12 H 1S -0.00001 -0.00104 0.00000 0.00000 0.00000 102 2S -0.00105 -0.00589 0.00000 -0.00014 0.00000 103 13 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 -0.00005 0.00000 0.00000 0.00000 105 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 106 2S 0.00000 0.00000 0.00000 -0.00005 -0.00017 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 0.00000 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 0.00000 124 2PX 0.00000 -0.00001 0.00000 0.00009 -0.00001 125 2PY 0.00000 0.00000 0.00000 0.00001 -0.00001 126 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 127 3S 0.00000 -0.00007 0.00001 0.00027 -0.00055 128 3PX 0.00000 -0.00003 0.00001 0.00048 -0.00060 129 3PY 0.00000 -0.00001 0.00000 0.00001 0.00020 130 3PZ 0.00000 0.00004 -0.00002 -0.00021 -0.00018 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PX 0.00000 0.00009 0.00000 -0.00001 0.00000 140 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 141 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 142 3S 0.00001 0.00027 0.00000 -0.00007 0.00001 143 3PX 0.00001 0.00048 0.00000 -0.00003 -0.00001 144 3PY 0.00000 0.00001 0.00000 -0.00001 0.00003 145 3PZ -0.00002 -0.00021 0.00000 0.00004 0.00000 146 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 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 0.00002 0.00003 0.00027 -0.00011 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00003 0.00027 0.00000 0.00002 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 0.00000 0.00000 -0.00001 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 97 98 99 100 96 2S 0.16496 97 10 H 1S -0.00027 0.21593 98 2S -0.00001 0.11187 0.16628 99 11 H 1S 0.00000 -0.00003 -0.00165 0.21593 100 2S -0.00015 -0.00165 -0.00908 0.11187 0.16628 101 12 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00039 102 2S 0.00000 0.00000 -0.00015 -0.00027 -0.00001 103 13 H 1S 0.00000 0.00000 0.00041 -0.00052 -0.00841 104 2S -0.00011 0.00038 0.00361 -0.00817 -0.02546 105 14 H 1S -0.00015 -0.00052 -0.00841 0.00000 0.00041 106 2S -0.00034 -0.00817 -0.02546 0.00038 0.00361 107 15 C 1S 0.00000 0.00000 0.00001 0.00000 0.00001 108 2S 0.00000 0.00000 -0.00016 0.00000 -0.00016 109 2PX 0.00000 0.00000 -0.00018 0.00000 -0.00018 110 2PY 0.00000 0.00000 -0.00006 0.00000 -0.00006 111 2PZ 0.00000 0.00000 -0.00001 0.00000 -0.00001 112 3S -0.00001 -0.00011 -0.00101 -0.00011 -0.00101 113 3PX -0.00001 0.00017 0.00046 0.00017 0.00046 114 3PY -0.00001 0.00009 0.00062 0.00009 0.00062 115 3PZ 0.00000 -0.00022 0.00006 -0.00022 0.00006 116 4XX 0.00000 0.00000 0.00004 0.00000 0.00004 117 4YY 0.00000 0.00000 0.00002 0.00000 0.00002 118 4ZZ 0.00000 0.00000 -0.00005 0.00000 -0.00005 119 4XY 0.00000 0.00000 0.00002 0.00000 0.00002 120 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 121 4YZ 0.00000 0.00000 0.00002 0.00000 0.00002 122 16 C 1S 0.00001 0.00000 0.00001 0.00000 0.00000 123 2S -0.00009 0.00000 -0.00017 0.00000 0.00002 124 2PX -0.00061 0.00000 -0.00012 0.00000 -0.00001 125 2PY -0.00045 0.00000 -0.00003 0.00000 0.00004 126 2PZ -0.00017 -0.00001 -0.00126 0.00000 -0.00001 127 3S -0.00323 -0.00007 -0.00144 0.00000 0.00028 128 3PX -0.00284 -0.00022 -0.00106 0.00002 0.00011 129 3PY 0.00072 -0.00006 -0.00020 -0.00004 0.00013 130 3PZ -0.00110 -0.00067 -0.00526 0.00001 0.00001 131 4XX -0.00002 0.00000 -0.00007 0.00000 0.00000 132 4YY 0.00005 0.00000 0.00002 0.00000 0.00000 133 4ZZ -0.00001 0.00000 0.00011 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00001 0.00000 0.00000 0.00000 -0.00001 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00001 138 2S 0.00001 0.00000 0.00002 0.00000 -0.00017 139 2PX 0.00001 0.00000 -0.00001 0.00000 -0.00012 140 2PY 0.00004 0.00000 0.00004 0.00000 -0.00003 141 2PZ 0.00000 0.00000 -0.00001 -0.00001 -0.00126 142 3S 0.00040 0.00000 0.00028 -0.00007 -0.00144 143 3PX 0.00008 0.00002 0.00011 -0.00022 -0.00106 144 3PY 0.00045 -0.00004 0.00013 -0.00006 -0.00020 145 3PZ 0.00007 0.00001 0.00001 -0.00067 -0.00526 146 4XX 0.00000 0.00000 0.00000 0.00000 -0.00007 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00002 148 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00011 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 152 18 H 1S 0.00000 0.00000 -0.00038 0.00000 -0.00038 153 2S 0.00001 0.00030 -0.00172 0.00030 -0.00172 154 19 H 1S -0.00011 0.00000 0.00003 0.00000 0.00000 155 2S -0.00016 0.00001 0.00048 0.00000 -0.00005 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00003 157 2S -0.00003 0.00000 -0.00005 0.00001 0.00048 158 21 H 1S 0.00000 0.00000 0.00001 0.00000 0.00001 159 2S 0.00000 0.00001 0.00025 0.00001 0.00025 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 161 2S 0.00000 0.00000 0.00001 0.00000 0.00014 162 2PX 0.00000 0.00000 -0.00001 0.00000 0.00058 163 2PY 0.00000 0.00000 0.00001 0.00000 0.00001 164 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00128 165 3S 0.00000 0.00000 0.00016 -0.00014 0.00092 166 3PX -0.00001 0.00000 -0.00013 0.00000 0.00353 167 3PY 0.00000 0.00000 0.00017 0.00000 0.00007 168 3PZ 0.00000 0.00000 -0.00008 -0.00002 0.00671 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 -0.00008 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00005 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00004 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 176 2S 0.00002 0.00000 0.00014 0.00000 0.00001 177 2PX 0.00000 0.00000 0.00058 0.00000 -0.00001 178 2PY 0.00002 0.00000 0.00001 0.00000 0.00001 179 2PZ 0.00000 0.00000 0.00128 0.00000 -0.00001 180 3S 0.00026 -0.00014 0.00092 0.00000 0.00016 181 3PX 0.00011 0.00000 0.00353 0.00000 -0.00013 182 3PY 0.00012 0.00000 0.00007 0.00000 0.00017 183 3PZ 0.00001 -0.00002 0.00671 0.00000 -0.00008 184 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 -0.00008 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00005 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00004 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 102 103 104 105 101 12 H 1S 0.21714 102 2S 0.11577 0.16496 103 13 H 1S 0.00000 -0.00015 0.21529 104 2S -0.00017 -0.00034 0.11394 0.15893 105 14 H 1S 0.00000 0.00000 -0.00005 -0.00202 0.21529 106 2S 0.00000 -0.00011 -0.00202 -0.00835 0.11394 107 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 108 2S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00000 -0.00001 0.00000 0.00002 0.00000 113 3PX 0.00000 -0.00001 0.00000 -0.00002 0.00000 114 3PY 0.00000 -0.00001 0.00000 -0.00001 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00001 0.00000 0.00000 0.00000 124 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 125 2PY 0.00000 0.00004 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00001 0.00040 0.00000 0.00012 0.00000 128 3PX -0.00001 0.00008 0.00000 0.00003 0.00004 129 3PY 0.00003 0.00045 0.00000 0.00003 0.00000 130 3PZ 0.00000 0.00007 0.00000 0.00015 0.00002 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 138 2S 0.00000 -0.00009 0.00000 0.00001 0.00000 139 2PX -0.00001 -0.00061 0.00000 0.00005 0.00000 140 2PY -0.00001 -0.00045 0.00000 0.00000 0.00000 141 2PZ 0.00000 -0.00017 0.00000 0.00007 0.00000 142 3S -0.00055 -0.00323 0.00000 0.00004 0.00000 143 3PX -0.00060 -0.00284 0.00004 0.00100 0.00000 144 3PY 0.00020 0.00072 0.00000 0.00008 0.00000 145 3PZ -0.00018 -0.00110 0.00002 0.00076 0.00000 146 4XX 0.00000 -0.00002 0.00000 0.00000 0.00000 147 4YY 0.00000 0.00005 0.00000 0.00000 0.00000 148 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00001 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 0.00000 0.00008 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00000 -0.00003 0.00000 0.00000 0.00000 156 20 H 1S 0.00000 -0.00011 0.00000 0.00000 0.00000 157 2S -0.00011 -0.00016 0.00000 -0.00006 0.00000 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00000 0.00000 0.00000 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00002 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PY 0.00000 0.00002 0.00000 0.00000 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00026 0.00000 0.00004 0.00000 166 3PX 0.00000 0.00011 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00012 0.00000 0.00000 0.00000 168 3PZ 0.00000 0.00001 0.00000 -0.00002 0.00000 169 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00000 0.00000 0.00000 0.00000 0.00000 181 3PX 0.00000 -0.00001 0.00000 -0.00001 0.00000 182 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 107 108 109 110 106 2S 0.15893 107 15 C 1S 0.00000 2.04980 108 2S 0.00000 -0.01427 0.34291 109 2PX 0.00000 0.00000 0.00000 0.42802 110 2PY 0.00000 0.00000 0.00000 0.00000 0.29269 111 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 3S 0.00002 -0.02762 0.21128 0.00000 0.00000 113 3PX -0.00002 0.00000 0.00000 0.08853 0.00000 114 3PY -0.00001 0.00000 0.00000 0.00000 0.04043 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XX 0.00000 -0.00141 0.00019 0.00000 0.00000 117 4YY 0.00000 -0.00104 -0.00728 0.00000 0.00000 118 4ZZ 0.00000 -0.00140 -0.00031 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00001 0.00000 -0.00016 -0.00038 -0.00003 124 2PX 0.00005 0.00000 -0.00030 -0.00036 -0.00032 125 2PY 0.00000 0.00000 -0.00018 -0.00014 0.00000 126 2PZ 0.00007 0.00000 -0.00012 -0.00041 -0.00029 127 3S 0.00004 0.00006 -0.00090 -0.00264 0.00040 128 3PX 0.00100 0.00014 -0.00168 -0.00116 -0.00157 129 3PY 0.00008 0.00007 -0.00102 -0.00012 -0.00078 130 3PZ 0.00076 0.00002 0.00026 -0.00122 -0.00112 131 4XX 0.00000 0.00000 0.00001 0.00005 0.00000 132 4YY 0.00000 0.00000 -0.00001 -0.00002 0.00000 133 4ZZ 0.00000 0.00000 0.00002 0.00006 0.00003 134 4XY 0.00000 0.00000 0.00002 0.00004 0.00000 135 4XZ 0.00000 0.00000 0.00001 0.00006 0.00000 136 4YZ 0.00000 0.00000 0.00002 0.00004 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 -0.00016 -0.00038 -0.00003 139 2PX 0.00001 0.00000 -0.00030 -0.00036 -0.00032 140 2PY 0.00000 0.00000 -0.00018 -0.00014 0.00000 141 2PZ 0.00000 0.00000 -0.00012 -0.00041 -0.00029 142 3S 0.00012 0.00006 -0.00090 -0.00264 0.00040 143 3PX 0.00003 0.00014 -0.00168 -0.00116 -0.00157 144 3PY 0.00003 0.00007 -0.00102 -0.00012 -0.00078 145 3PZ 0.00015 0.00002 0.00026 -0.00122 -0.00112 146 4XX 0.00000 0.00000 0.00001 0.00005 0.00000 147 4YY 0.00000 0.00000 -0.00001 -0.00002 0.00000 148 4ZZ 0.00000 0.00000 0.00002 0.00006 0.00003 149 4XY 0.00000 0.00000 0.00002 0.00004 0.00000 150 4XZ 0.00000 0.00000 0.00001 0.00006 0.00000 151 4YZ 0.00000 0.00000 0.00002 0.00004 0.00000 152 18 H 1S 0.00000 -0.00189 0.03298 0.00487 0.00000 153 2S 0.00008 -0.00105 0.01599 0.00408 0.00000 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S -0.00006 0.00000 0.00020 0.00020 0.00017 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00020 0.00020 0.00017 158 21 H 1S 0.00000 -0.00189 0.03334 0.09739 0.00000 159 2S 0.00000 -0.00112 0.01682 0.05688 0.00000 160 22 O 1S 0.00000 0.00000 -0.00001 -0.00012 -0.00042 161 2S 0.00000 -0.00001 0.00022 0.00238 0.00832 162 2PX 0.00000 -0.00005 0.00251 -0.00015 0.00934 163 2PY 0.00000 -0.00022 0.01257 0.01063 0.02342 164 2PZ 0.00000 -0.00005 0.00249 0.00213 0.01090 165 3S 0.00000 0.00084 -0.01440 0.00278 0.00788 166 3PX -0.00001 -0.00032 0.00325 -0.00392 0.00863 167 3PY 0.00000 -0.00300 0.02932 0.01403 0.01970 168 3PZ -0.00001 -0.00029 0.00287 0.00123 0.01197 169 4XX 0.00000 0.00000 -0.00010 -0.00008 -0.00038 170 4YY 0.00000 -0.00016 0.00280 0.00180 0.00191 171 4ZZ 0.00000 0.00000 -0.00007 0.00002 -0.00017 172 4XY 0.00000 -0.00006 0.00071 0.00006 0.00037 173 4XZ 0.00000 -0.00001 0.00011 0.00003 0.00010 174 4YZ 0.00000 -0.00007 0.00087 0.00054 0.00075 175 23 O 1S 0.00000 0.00000 -0.00001 -0.00012 -0.00042 176 2S 0.00000 -0.00001 0.00022 0.00238 0.00832 177 2PX 0.00000 -0.00005 0.00251 -0.00015 0.00934 178 2PY 0.00000 -0.00022 0.01257 0.01063 0.02342 179 2PZ 0.00000 -0.00005 0.00249 0.00213 0.01090 180 3S 0.00004 0.00084 -0.01440 0.00278 0.00788 181 3PX 0.00000 -0.00032 0.00325 -0.00392 0.00863 182 3PY 0.00000 -0.00300 0.02932 0.01403 0.01970 183 3PZ -0.00002 -0.00029 0.00287 0.00123 0.01197 184 4XX 0.00000 0.00000 -0.00010 -0.00008 -0.00038 185 4YY 0.00000 -0.00016 0.00280 0.00180 0.00191 186 4ZZ 0.00000 0.00000 -0.00007 0.00002 -0.00017 187 4XY 0.00000 -0.00006 0.00071 0.00006 0.00037 188 4XZ 0.00000 -0.00001 0.00011 0.00003 0.00010 189 4YZ 0.00000 -0.00007 0.00087 0.00054 0.00075 111 112 113 114 115 111 2PZ 0.42490 112 3S 0.00000 0.23348 113 3PX 0.00000 0.00000 0.06206 114 3PY 0.00000 0.00000 0.00000 0.02606 115 3PZ 0.08273 0.00000 0.00000 0.00000 0.06494 116 4XX 0.00000 0.00151 0.00000 0.00000 0.00000 117 4YY 0.00000 -0.00812 0.00000 0.00000 0.00000 118 4ZZ 0.00000 0.00201 0.00000 0.00000 0.00000 119 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00009 0.00018 0.00001 0.00012 123 2S -0.00024 -0.00098 -0.00204 -0.00026 -0.00154 124 2PX -0.00061 -0.00291 -0.00095 -0.00173 -0.00361 125 2PY -0.00016 -0.00149 -0.00093 -0.00001 -0.00101 126 2PZ -0.00003 -0.00044 -0.00124 -0.00153 0.00036 127 3S -0.00187 0.00149 -0.00468 0.00071 -0.00045 128 3PX -0.00288 -0.00488 -0.00073 -0.00141 -0.00620 129 3PY -0.00017 -0.00286 -0.00046 -0.00035 -0.00134 130 3PZ 0.00021 0.00277 -0.00117 -0.00109 0.00048 131 4XX 0.00004 -0.00004 -0.00001 -0.00017 0.00044 132 4YY -0.00002 -0.00010 -0.00015 0.00003 -0.00013 133 4ZZ 0.00003 0.00015 0.00042 0.00009 -0.00008 134 4XY 0.00004 0.00005 0.00005 -0.00007 0.00002 135 4XZ 0.00005 -0.00005 0.00006 -0.00006 -0.00001 136 4YZ 0.00002 0.00008 0.00006 -0.00006 0.00004 137 17 C 1S 0.00000 0.00009 0.00018 0.00001 0.00012 138 2S -0.00024 -0.00098 -0.00204 -0.00026 -0.00154 139 2PX -0.00061 -0.00291 -0.00095 -0.00173 -0.00361 140 2PY -0.00016 -0.00149 -0.00093 -0.00001 -0.00101 141 2PZ -0.00003 -0.00044 -0.00124 -0.00153 0.00036 142 3S -0.00187 0.00149 -0.00468 0.00071 -0.00045 143 3PX -0.00288 -0.00488 -0.00073 -0.00141 -0.00620 144 3PY -0.00017 -0.00286 -0.00046 -0.00035 -0.00134 145 3PZ 0.00021 0.00277 -0.00117 -0.00109 0.00048 146 4XX 0.00004 -0.00004 -0.00001 -0.00017 0.00044 147 4YY -0.00002 -0.00010 -0.00015 0.00003 -0.00013 148 4ZZ 0.00003 0.00015 0.00042 0.00009 -0.00008 149 4XY 0.00004 0.00005 0.00005 -0.00007 0.00002 150 4XZ 0.00005 -0.00005 0.00006 -0.00006 -0.00001 151 4YZ 0.00002 0.00008 0.00006 -0.00006 0.00004 152 18 H 1S 0.09573 0.04348 0.00167 0.00000 0.04187 153 2S 0.05686 0.03017 0.00184 0.00000 0.02577 154 19 H 1S 0.00000 0.00014 0.00015 0.00019 0.00008 155 2S 0.00029 0.00131 0.00123 0.00115 0.00056 156 20 H 1S 0.00000 0.00014 0.00015 0.00019 0.00008 157 2S 0.00029 0.00131 0.00123 0.00115 0.00056 158 21 H 1S 0.00386 0.03985 0.04872 0.00000 0.00026 159 2S 0.00315 0.02109 0.04010 0.00000 -0.00020 160 22 O 1S -0.00012 0.00106 0.00013 -0.00015 0.00011 161 2S 0.00236 -0.01601 -0.00145 0.00066 -0.00118 162 2PX 0.00233 0.00166 0.00018 0.00390 0.00263 163 2PY 0.01134 0.01000 0.00431 0.00085 0.00439 164 2PZ -0.00004 0.00124 0.00176 0.00528 0.00255 165 3S 0.00307 -0.06227 -0.00434 -0.00312 -0.00503 166 3PX 0.00160 0.00174 0.00062 0.00456 0.00430 167 3PY 0.01544 0.02200 0.00668 -0.00009 0.00681 168 3PZ -0.00395 -0.00041 0.00232 0.00760 0.00838 169 4XX -0.00003 0.00031 -0.00032 -0.00014 -0.00005 170 4YY 0.00188 0.00289 0.00087 0.00032 0.00093 171 4ZZ -0.00009 0.00029 0.00001 0.00018 -0.00026 172 4XY 0.00043 0.00025 0.00017 0.00004 0.00013 173 4XZ 0.00001 0.00002 0.00007 -0.00001 0.00005 174 4YZ 0.00002 0.00030 0.00012 0.00005 0.00021 175 23 O 1S -0.00012 0.00106 0.00013 -0.00015 0.00011 176 2S 0.00236 -0.01601 -0.00145 0.00067 -0.00118 177 2PX 0.00233 0.00166 0.00018 0.00390 0.00263 178 2PY 0.01134 0.01000 0.00431 0.00085 0.00439 179 2PZ -0.00004 0.00124 0.00176 0.00528 0.00255 180 3S 0.00307 -0.06227 -0.00434 -0.00312 -0.00503 181 3PX 0.00160 0.00174 0.00062 0.00456 0.00430 182 3PY 0.01544 0.02200 0.00668 -0.00009 0.00681 183 3PZ -0.00395 -0.00041 0.00232 0.00760 0.00838 184 4XX -0.00003 0.00031 -0.00032 -0.00014 -0.00005 185 4YY 0.00188 0.00289 0.00087 0.00032 0.00093 186 4ZZ -0.00009 0.00029 0.00001 0.00018 -0.00026 187 4XY 0.00043 0.00025 0.00017 0.00004 0.00013 188 4XZ 0.00001 0.00002 0.00007 -0.00001 0.00005 189 4YZ 0.00002 0.00030 0.00012 0.00005 0.00021 116 117 118 119 120 116 4XX 0.00335 117 4YY -0.00041 0.00343 118 4ZZ -0.00055 -0.00046 0.00350 119 4XY 0.00000 0.00000 0.00000 0.00248 120 4XZ 0.00000 0.00000 0.00000 0.00000 0.00106 121 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00004 -0.00002 0.00001 0.00002 0.00001 124 2PX 0.00011 -0.00006 0.00007 0.00000 0.00009 125 2PY -0.00001 0.00000 -0.00001 0.00000 0.00000 126 2PZ 0.00010 -0.00004 0.00003 0.00004 0.00004 127 3S 0.00003 -0.00023 0.00025 0.00002 -0.00010 128 3PX 0.00036 -0.00041 0.00021 -0.00009 0.00005 129 3PY 0.00003 0.00006 -0.00012 -0.00004 0.00002 130 3PZ 0.00020 -0.00032 0.00017 -0.00003 0.00001 131 4XX -0.00001 0.00000 0.00001 0.00000 0.00001 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00001 0.00000 -0.00001 0.00001 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00001 0.00000 0.00000 0.00001 0.00001 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00004 -0.00002 0.00001 0.00002 0.00001 139 2PX 0.00011 -0.00006 0.00007 0.00000 0.00009 140 2PY -0.00001 0.00000 -0.00001 0.00000 0.00000 141 2PZ 0.00010 -0.00004 0.00003 0.00004 0.00004 142 3S 0.00003 -0.00023 0.00025 0.00002 -0.00010 143 3PX 0.00036 -0.00041 0.00021 -0.00009 0.00005 144 3PY 0.00003 0.00006 -0.00012 -0.00004 0.00002 145 3PZ 0.00020 -0.00032 0.00017 -0.00003 0.00001 146 4XX -0.00001 0.00000 0.00001 0.00000 0.00001 147 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4ZZ 0.00001 0.00000 -0.00001 0.00001 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00001 0.00000 0.00000 0.00001 0.00001 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S -0.00142 -0.00145 0.00894 0.00000 0.00061 153 2S -0.00569 -0.00314 0.01031 0.00000 0.00010 154 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 155 2S 0.00001 0.00001 -0.00003 0.00000 0.00000 156 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00001 0.00001 -0.00003 0.00000 0.00000 158 21 H 1S 0.00896 -0.00137 -0.00146 0.00000 0.00049 159 2S 0.00902 -0.00240 -0.00536 0.00000 0.00008 160 22 O 1S 0.00001 -0.00008 0.00001 -0.00004 -0.00001 161 2S -0.00028 0.00199 -0.00022 0.00093 0.00019 162 2PX 0.00005 0.00137 0.00030 -0.00007 -0.00001 163 2PY 0.00007 -0.00048 0.00008 0.00225 0.00099 164 2PZ 0.00031 0.00163 0.00003 0.00135 -0.00001 165 3S -0.00147 0.00617 -0.00165 0.00069 0.00008 166 3PX -0.00113 0.00172 0.00131 0.00056 0.00004 167 3PY 0.00041 -0.00079 0.00022 0.00092 0.00063 168 3PZ 0.00137 0.00233 -0.00138 0.00087 0.00003 169 4XX 0.00003 -0.00010 -0.00003 0.00000 0.00000 170 4YY -0.00001 -0.00006 0.00002 0.00014 0.00015 171 4ZZ -0.00004 -0.00008 0.00003 -0.00005 0.00000 172 4XY 0.00000 0.00009 0.00000 0.00000 0.00000 173 4XZ 0.00000 -0.00005 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00010 0.00000 0.00010 0.00000 175 23 O 1S 0.00001 -0.00008 0.00001 -0.00004 -0.00001 176 2S -0.00028 0.00199 -0.00022 0.00093 0.00019 177 2PX 0.00005 0.00137 0.00030 -0.00007 -0.00001 178 2PY 0.00007 -0.00048 0.00008 0.00225 0.00099 179 2PZ 0.00032 0.00163 0.00002 0.00135 -0.00001 180 3S -0.00147 0.00617 -0.00165 0.00069 0.00008 181 3PX -0.00113 0.00172 0.00131 0.00056 0.00004 182 3PY 0.00041 -0.00079 0.00022 0.00092 0.00063 183 3PZ 0.00137 0.00233 -0.00138 0.00087 0.00003 184 4XX 0.00003 -0.00010 -0.00003 0.00000 0.00000 185 4YY -0.00001 -0.00006 0.00002 0.00014 0.00015 186 4ZZ -0.00004 -0.00008 0.00003 -0.00005 0.00000 187 4XY 0.00000 0.00009 0.00000 0.00000 0.00000 188 4XZ 0.00000 -0.00005 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00010 0.00000 0.00010 0.00000 121 122 123 124 125 121 4YZ 0.00274 122 16 C 1S 0.00000 2.05255 123 2S 0.00000 -0.01389 0.33288 124 2PX 0.00004 0.00000 0.00000 0.34621 125 2PY 0.00000 0.00000 0.00000 0.00000 0.43070 126 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.03170 0.22132 0.00000 0.00000 128 3PX 0.00002 0.00000 0.00000 0.09508 0.00000 129 3PY -0.00005 0.00000 0.00000 0.00000 0.07004 130 3PZ -0.00004 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00001 -0.00093 -0.00929 0.00000 0.00000 132 4YY 0.00000 -0.00136 -0.00072 0.00000 0.00000 133 4ZZ 0.00000 -0.00124 -0.00291 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00000 -0.00065 0.00000 -0.00286 138 2S 0.00000 -0.00065 0.01384 0.00000 0.04297 139 2PX 0.00004 0.00000 0.00000 0.01640 0.00000 140 2PY 0.00000 -0.00286 0.04297 0.00000 0.10300 141 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 0.00011 0.00956 0.00000 0.03203 143 3PX 0.00002 0.00000 0.00000 0.02166 0.00000 144 3PY -0.00005 -0.00013 0.01037 0.00000 0.01886 145 3PZ -0.00004 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00001 0.00000 -0.00061 0.00000 -0.00167 147 4YY 0.00000 -0.00027 0.00367 0.00000 0.00315 148 4ZZ 0.00000 0.00000 -0.00064 0.00000 -0.00128 149 4XY 0.00000 0.00000 0.00000 0.00205 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 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 0.00009 -0.00002 -0.00002 154 19 H 1S 0.00000 -0.00236 0.03823 0.00581 0.03853 155 2S 0.00000 -0.00192 0.02241 0.00246 0.02222 156 20 H 1S 0.00000 0.00000 -0.00020 -0.00001 -0.00045 157 2S 0.00000 0.00024 -0.00382 -0.00027 -0.00595 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S 0.00000 0.00000 0.00017 0.00068 0.00002 160 22 O 1S -0.00005 0.00000 0.00000 0.00000 0.00000 161 2S 0.00114 0.00000 -0.00003 -0.00003 -0.00007 162 2PX 0.00132 0.00000 -0.00005 0.00010 -0.00012 163 2PY 0.00250 0.00000 -0.00016 -0.00010 -0.00034 164 2PZ -0.00012 0.00000 0.00000 -0.00008 -0.00014 165 3S 0.00088 -0.00001 -0.00015 -0.00043 0.00138 166 3PX 0.00085 0.00004 -0.00104 0.00070 -0.00111 167 3PY 0.00103 0.00011 -0.00329 -0.00122 -0.00346 168 3PZ 0.00059 -0.00001 0.00015 -0.00130 -0.00196 169 4XX -0.00006 0.00000 0.00000 -0.00001 -0.00005 170 4YY 0.00018 0.00000 -0.00003 -0.00001 -0.00005 171 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00002 172 4XY 0.00007 0.00000 0.00002 0.00002 0.00012 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 174 4YZ 0.00000 0.00000 0.00002 0.00002 0.00007 175 23 O 1S -0.00005 0.00000 -0.00006 -0.00048 -0.00006 176 2S 0.00114 -0.00002 0.00104 0.00849 0.00171 177 2PX 0.00132 -0.00024 0.01219 0.01590 0.00661 178 2PY 0.00250 -0.00005 0.00218 0.00602 -0.00067 179 2PZ -0.00012 -0.00011 0.00478 0.01887 0.00318 180 3S 0.00088 0.00061 -0.00734 0.01469 -0.00371 181 3PX 0.00085 -0.00226 0.02342 0.01029 0.00755 182 3PY 0.00103 -0.00071 0.00625 0.00942 -0.00375 183 3PZ 0.00059 -0.00096 0.00742 0.01888 0.00399 184 4XX -0.00006 -0.00009 0.00127 -0.00098 0.00104 185 4YY 0.00018 -0.00001 0.00012 0.00061 0.00000 186 4ZZ 0.00000 -0.00001 0.00009 0.00030 0.00043 187 4XY 0.00007 -0.00008 0.00088 0.00084 0.00020 188 4XZ 0.00000 -0.00015 0.00130 0.00070 0.00034 189 4YZ 0.00000 -0.00004 0.00036 0.00123 0.00018 126 127 128 129 130 126 2PZ 0.37881 127 3S 0.00000 0.30239 128 3PX 0.00000 0.00000 0.10752 129 3PY 0.00000 0.00000 0.00000 0.05313 130 3PZ 0.09297 0.00000 0.00000 0.00000 0.09326 131 4XX 0.00000 -0.00699 0.00000 0.00000 0.00000 132 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 133 4ZZ 0.00000 -0.00197 0.00000 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 0.00011 0.00000 -0.00013 0.00000 138 2S 0.00000 0.00956 0.00000 0.01037 0.00000 139 2PX 0.00000 0.00000 0.02166 0.00000 0.00000 140 2PY 0.00000 0.03203 0.00000 0.01886 0.00000 141 2PZ 0.01211 0.00000 0.00000 0.00000 0.01873 142 3S 0.00000 -0.01174 0.00000 -0.00774 0.00000 143 3PX 0.00000 0.00000 0.02494 0.00000 0.00000 144 3PY 0.00000 -0.00774 0.00000 0.00238 0.00000 145 3PZ 0.01873 0.00000 0.00000 0.00000 0.02710 146 4XX 0.00000 -0.00101 0.00000 -0.00166 0.00000 147 4YY 0.00000 0.00361 0.00000 0.00143 0.00000 148 4ZZ 0.00000 -0.00207 0.00000 -0.00096 0.00000 149 4XY 0.00000 0.00000 0.00113 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00234 0.00000 0.00000 0.00000 0.00113 152 18 H 1S 0.00000 0.00021 0.00010 -0.00008 0.00018 153 2S 0.00051 0.00239 -0.00042 -0.00054 0.00259 154 19 H 1S 0.05489 0.05282 0.00177 0.01253 0.02525 155 2S 0.03133 0.03771 -0.00039 0.01031 0.02356 156 20 H 1S 0.00000 -0.00418 0.00003 -0.00397 -0.00012 157 2S -0.00030 -0.01561 -0.00006 -0.00811 0.00007 158 21 H 1S 0.00000 0.00006 0.00030 0.00000 0.00004 159 2S 0.00003 -0.00031 0.00313 0.00032 -0.00042 160 22 O 1S 0.00000 -0.00011 0.00000 -0.00014 0.00000 161 2S -0.00003 0.00175 -0.00001 0.00149 0.00019 162 2PX -0.00007 -0.00098 0.00024 0.00014 -0.00032 163 2PY -0.00004 -0.00391 0.00057 -0.00411 0.00089 164 2PZ 0.00002 0.00032 -0.00091 -0.00146 -0.00037 165 3S -0.00129 0.01002 0.00118 0.01200 -0.00278 166 3PX -0.00130 -0.00459 -0.00122 0.00131 -0.00172 167 3PY -0.00068 -0.01561 0.00190 -0.00972 0.00219 168 3PZ -0.00024 0.00201 -0.00340 -0.00488 -0.00289 169 4XX 0.00002 0.00008 -0.00011 -0.00029 0.00020 170 4YY 0.00001 -0.00056 -0.00001 -0.00055 0.00016 171 4ZZ 0.00000 -0.00011 0.00004 -0.00014 -0.00003 172 4XY -0.00001 -0.00004 0.00001 0.00009 -0.00001 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00002 0.00002 0.00002 0.00000 175 23 O 1S -0.00028 0.00128 0.00012 -0.00024 0.00040 176 2S 0.00516 -0.01942 -0.00292 0.00273 -0.00508 177 2PX 0.01963 0.00361 0.00058 0.00087 0.00354 178 2PY 0.00301 0.00274 -0.00034 0.00415 0.00004 179 2PZ 0.00253 0.00548 0.00691 0.00111 -0.00136 180 3S 0.00746 -0.06778 -0.00104 0.00117 -0.01270 181 3PX 0.02076 0.00144 -0.00163 0.00035 0.00188 182 3PY 0.00481 0.00726 -0.00035 0.01064 0.00017 183 3PZ -0.00207 0.01220 0.00729 0.00218 -0.00724 184 4XX 0.00161 0.00209 -0.00128 0.00059 0.00141 185 4YY 0.00028 0.00064 0.00000 -0.00021 0.00012 186 4ZZ -0.00046 0.00073 0.00114 0.00015 -0.00059 187 4XY 0.00115 0.00019 0.00001 0.00021 0.00007 188 4XZ -0.00008 0.00037 0.00001 0.00003 0.00008 189 4YZ 0.00005 0.00012 0.00021 0.00012 0.00001 131 132 133 134 135 131 4XX 0.00284 132 4YY -0.00027 0.00124 133 4ZZ -0.00019 -0.00008 0.00166 134 4XY 0.00000 0.00000 0.00000 0.00146 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00147 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 C 1S 0.00000 -0.00027 0.00000 0.00000 0.00000 138 2S -0.00061 0.00367 -0.00064 0.00000 0.00000 139 2PX 0.00000 0.00000 0.00000 0.00205 0.00000 140 2PY -0.00167 0.00315 -0.00128 0.00000 0.00000 141 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 3S -0.00101 0.00361 -0.00207 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.00113 0.00000 144 3PY -0.00166 0.00143 -0.00096 0.00000 0.00000 145 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00004 -0.00005 0.00000 0.00000 0.00000 147 4YY -0.00005 -0.00005 -0.00004 0.00000 0.00000 148 4ZZ 0.00000 -0.00004 0.00005 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 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 0.00009 0.00000 -0.00016 -0.00001 -0.00003 154 19 H 1S -0.00145 -0.00033 0.00234 0.00041 0.00023 155 2S -0.00256 -0.00044 0.00314 0.00010 0.00003 156 20 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 157 2S 0.00023 -0.00027 0.00027 0.00001 0.00001 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S -0.00009 0.00001 0.00003 0.00000 0.00001 160 22 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2S 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 163 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 164 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 165 3S -0.00009 0.00013 0.00004 0.00003 -0.00003 166 3PX -0.00002 0.00012 0.00008 0.00007 0.00000 167 3PY -0.00010 0.00036 0.00002 0.00013 -0.00004 168 3PZ 0.00004 0.00004 -0.00004 0.00004 0.00000 169 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 171 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S -0.00006 0.00001 0.00000 -0.00005 -0.00008 176 2S 0.00138 -0.00019 0.00007 0.00089 0.00157 177 2PX -0.00096 -0.00048 0.00157 0.00038 0.00289 178 2PY 0.00096 0.00017 0.00023 0.00025 0.00116 179 2PZ 0.00397 -0.00031 -0.00055 0.00125 0.00026 180 3S 0.00244 -0.00007 -0.00012 0.00096 0.00101 181 3PX -0.00195 -0.00143 0.00390 0.00001 0.00088 182 3PY 0.00147 -0.00054 0.00045 0.00071 0.00077 183 3PZ 0.00627 -0.00099 -0.00197 0.00073 -0.00001 184 4XX -0.00007 -0.00001 0.00008 0.00004 0.00005 185 4YY 0.00010 -0.00004 0.00002 0.00002 0.00009 186 4ZZ -0.00001 0.00001 -0.00001 0.00000 -0.00002 187 4XY -0.00005 0.00001 0.00004 0.00000 0.00013 188 4XZ 0.00003 -0.00003 -0.00001 0.00003 0.00005 189 4YZ 0.00016 0.00000 -0.00003 -0.00002 0.00001 136 137 138 139 140 136 4YZ 0.00192 137 17 C 1S 0.00000 2.05255 138 2S 0.00000 -0.01389 0.33288 139 2PX 0.00000 0.00000 0.00000 0.34621 140 2PY 0.00000 0.00000 0.00000 0.00000 0.43070 141 2PZ 0.00234 0.00000 0.00000 0.00000 0.00000 142 3S 0.00000 -0.03170 0.22132 0.00000 0.00000 143 3PX 0.00000 0.00000 0.00000 0.09508 0.00000 144 3PY 0.00000 0.00000 0.00000 0.00000 0.07004 145 3PZ 0.00113 0.00000 0.00000 0.00000 0.00000 146 4XX 0.00000 -0.00093 -0.00929 0.00000 0.00000 147 4YY 0.00000 -0.00136 -0.00072 0.00000 0.00000 148 4ZZ 0.00000 -0.00124 -0.00291 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ -0.00018 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 0.00000 0.00009 -0.00002 -0.00002 154 19 H 1S 0.00377 0.00000 -0.00020 -0.00001 -0.00045 155 2S 0.00064 0.00024 -0.00382 -0.00027 -0.00595 156 20 H 1S 0.00004 -0.00236 0.03823 0.00581 0.03854 157 2S 0.00022 -0.00192 0.02241 0.00246 0.02222 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S -0.00001 0.00000 0.00017 0.00068 0.00002 160 22 O 1S 0.00000 0.00000 -0.00006 -0.00048 -0.00006 161 2S 0.00000 -0.00002 0.00104 0.00849 0.00171 162 2PX 0.00001 -0.00024 0.01219 0.01590 0.00661 163 2PY 0.00001 -0.00005 0.00218 0.00602 -0.00067 164 2PZ 0.00000 -0.00011 0.00478 0.01887 0.00318 165 3S 0.00000 0.00061 -0.00734 0.01469 -0.00371 166 3PX 0.00007 -0.00226 0.02342 0.01029 0.00755 167 3PY 0.00009 -0.00071 0.00625 0.00942 -0.00375 168 3PZ -0.00001 -0.00096 0.00742 0.01889 0.00399 169 4XX 0.00000 -0.00009 0.00127 -0.00098 0.00104 170 4YY 0.00000 -0.00001 0.00012 0.00061 0.00000 171 4ZZ 0.00000 -0.00001 0.00009 0.00030 0.00043 172 4XY 0.00000 -0.00008 0.00088 0.00084 0.00020 173 4XZ 0.00000 -0.00015 0.00130 0.00070 0.00034 174 4YZ 0.00000 -0.00004 0.00036 0.00123 0.00018 175 23 O 1S -0.00003 0.00000 0.00000 0.00000 0.00000 176 2S 0.00056 0.00000 -0.00003 -0.00003 -0.00007 177 2PX 0.00116 0.00000 -0.00005 0.00010 -0.00012 178 2PY 0.00016 0.00000 -0.00016 -0.00010 -0.00034 179 2PZ -0.00003 0.00000 0.00000 -0.00008 -0.00014 180 3S 0.00085 -0.00001 -0.00015 -0.00043 0.00138 181 3PX 0.00070 0.00004 -0.00104 0.00070 -0.00111 182 3PY 0.00045 0.00011 -0.00329 -0.00122 -0.00346 183 3PZ 0.00002 -0.00001 0.00015 -0.00130 -0.00196 184 4XX -0.00001 0.00000 0.00000 -0.00001 -0.00005 185 4YY 0.00001 0.00000 -0.00003 -0.00001 -0.00005 186 4ZZ -0.00001 0.00000 0.00000 0.00001 -0.00002 187 4XY -0.00003 0.00000 0.00002 0.00002 0.00012 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 189 4YZ 0.00000 0.00000 0.00002 0.00002 0.00007 141 142 143 144 145 141 2PZ 0.37881 142 3S 0.00000 0.30239 143 3PX 0.00000 0.00000 0.10752 144 3PY 0.00000 0.00000 0.00000 0.05313 145 3PZ 0.09297 0.00000 0.00000 0.00000 0.09326 146 4XX 0.00000 -0.00699 0.00000 0.00000 0.00000 147 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 148 4ZZ 0.00000 -0.00197 0.00000 0.00000 0.00000 149 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 152 18 H 1S 0.00000 0.00021 0.00010 -0.00008 0.00018 153 2S 0.00051 0.00239 -0.00042 -0.00054 0.00259 154 19 H 1S 0.00000 -0.00418 0.00003 -0.00397 -0.00012 155 2S -0.00030 -0.01561 -0.00006 -0.00811 0.00007 156 20 H 1S 0.05489 0.05282 0.00177 0.01253 0.02525 157 2S 0.03132 0.03771 -0.00039 0.01031 0.02356 158 21 H 1S 0.00000 0.00006 0.00030 0.00000 0.00004 159 2S 0.00003 -0.00031 0.00313 0.00032 -0.00042 160 22 O 1S -0.00028 0.00128 0.00012 -0.00024 0.00040 161 2S 0.00516 -0.01942 -0.00292 0.00273 -0.00508 162 2PX 0.01963 0.00361 0.00058 0.00087 0.00354 163 2PY 0.00301 0.00274 -0.00034 0.00415 0.00004 164 2PZ 0.00253 0.00548 0.00691 0.00111 -0.00136 165 3S 0.00746 -0.06779 -0.00104 0.00117 -0.01270 166 3PX 0.02076 0.00144 -0.00163 0.00035 0.00188 167 3PY 0.00481 0.00726 -0.00035 0.01064 0.00017 168 3PZ -0.00207 0.01220 0.00729 0.00218 -0.00724 169 4XX 0.00161 0.00209 -0.00128 0.00059 0.00141 170 4YY 0.00028 0.00064 0.00000 -0.00021 0.00012 171 4ZZ -0.00046 0.00073 0.00114 0.00015 -0.00059 172 4XY 0.00115 0.00019 0.00001 0.00021 0.00007 173 4XZ -0.00008 0.00037 0.00001 0.00003 0.00008 174 4YZ 0.00005 0.00012 0.00021 0.00012 0.00001 175 23 O 1S 0.00000 -0.00011 0.00000 -0.00014 0.00000 176 2S -0.00003 0.00175 -0.00001 0.00149 0.00019 177 2PX -0.00007 -0.00098 0.00024 0.00014 -0.00032 178 2PY -0.00004 -0.00391 0.00057 -0.00411 0.00089 179 2PZ 0.00002 0.00032 -0.00091 -0.00146 -0.00037 180 3S -0.00129 0.01002 0.00118 0.01200 -0.00278 181 3PX -0.00130 -0.00459 -0.00122 0.00131 -0.00172 182 3PY -0.00068 -0.01561 0.00190 -0.00972 0.00219 183 3PZ -0.00024 0.00201 -0.00340 -0.00488 -0.00289 184 4XX 0.00002 0.00008 -0.00011 -0.00029 0.00020 185 4YY 0.00001 -0.00056 -0.00001 -0.00055 0.00016 186 4ZZ 0.00000 -0.00011 0.00004 -0.00014 -0.00003 187 4XY -0.00001 -0.00004 0.00001 0.00009 -0.00001 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00002 0.00002 0.00002 0.00000 146 147 148 149 150 146 4XX 0.00284 147 4YY -0.00027 0.00124 148 4ZZ -0.00019 -0.00008 0.00166 149 4XY 0.00000 0.00000 0.00000 0.00146 150 4XZ 0.00000 0.00000 0.00000 0.00000 0.00147 151 4YZ 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 0.00009 0.00000 -0.00016 -0.00001 -0.00003 154 19 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 155 2S 0.00023 -0.00027 0.00027 0.00001 0.00001 156 20 H 1S -0.00145 -0.00033 0.00234 0.00041 0.00023 157 2S -0.00256 -0.00044 0.00314 0.00010 0.00003 158 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 159 2S -0.00009 0.00001 0.00003 0.00000 0.00001 160 22 O 1S -0.00006 0.00001 0.00000 -0.00005 -0.00008 161 2S 0.00138 -0.00019 0.00007 0.00089 0.00157 162 2PX -0.00096 -0.00048 0.00157 0.00038 0.00289 163 2PY 0.00096 0.00017 0.00023 0.00025 0.00116 164 2PZ 0.00397 -0.00031 -0.00055 0.00125 0.00026 165 3S 0.00244 -0.00007 -0.00012 0.00096 0.00101 166 3PX -0.00195 -0.00143 0.00390 0.00001 0.00088 167 3PY 0.00147 -0.00054 0.00045 0.00071 0.00077 168 3PZ 0.00627 -0.00099 -0.00197 0.00073 -0.00001 169 4XX -0.00007 -0.00001 0.00008 0.00004 0.00005 170 4YY 0.00010 -0.00004 0.00002 0.00002 0.00009 171 4ZZ -0.00001 0.00001 -0.00001 0.00000 -0.00002 172 4XY -0.00005 0.00001 0.00004 0.00000 0.00013 173 4XZ 0.00003 -0.00003 -0.00001 0.00003 0.00005 174 4YZ 0.00016 0.00000 -0.00003 -0.00002 0.00001 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 176 2S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2PX 0.00000 0.00001 0.00000 0.00001 0.00000 178 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 180 3S -0.00009 0.00013 0.00004 0.00003 -0.00003 181 3PX -0.00002 0.00012 0.00008 0.00007 0.00000 182 3PY -0.00010 0.00036 0.00002 0.00013 -0.00004 183 3PZ 0.00004 0.00004 -0.00004 0.00004 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 152 153 154 155 151 4YZ 0.00192 152 18 H 1S 0.00000 0.22401 153 2S 0.00001 0.12138 0.19876 154 19 H 1S 0.00004 0.00000 -0.00001 0.21549 155 2S 0.00022 -0.00001 -0.00038 0.10062 0.12397 156 20 H 1S 0.00377 0.00000 -0.00001 0.00000 -0.00015 157 2S 0.00064 -0.00001 -0.00038 -0.00015 0.00011 158 21 H 1S 0.00000 -0.00073 -0.01284 0.00000 0.00000 159 2S -0.00001 -0.01186 -0.04733 0.00000 0.00008 160 22 O 1S -0.00003 0.00000 0.00005 0.00000 0.00000 161 2S 0.00056 -0.00004 -0.00073 0.00000 0.00003 162 2PX 0.00116 0.00002 0.00089 0.00000 0.00010 163 2PY 0.00016 -0.00003 -0.00090 0.00000 0.00014 164 2PZ -0.00003 -0.00026 -0.00755 0.00000 -0.00001 165 3S 0.00085 -0.00186 -0.00585 0.00001 0.00029 166 3PX 0.00070 0.00062 0.00420 0.00002 0.00085 167 3PY 0.00045 -0.00064 -0.00312 0.00003 0.00122 168 3PZ 0.00002 -0.00614 -0.03002 0.00000 -0.00018 169 4XX -0.00001 -0.00001 -0.00022 0.00000 0.00000 170 4YY 0.00001 0.00000 -0.00014 0.00000 0.00002 171 4ZZ -0.00001 0.00009 0.00078 0.00000 -0.00001 172 4XY -0.00003 0.00000 0.00002 0.00000 0.00000 173 4XZ 0.00000 0.00001 0.00003 0.00000 0.00000 174 4YZ 0.00000 0.00003 -0.00016 0.00000 -0.00001 175 23 O 1S 0.00000 0.00000 0.00005 0.00000 0.00016 176 2S 0.00000 -0.00004 -0.00073 -0.00006 -0.00225 177 2PX 0.00001 0.00002 0.00089 -0.00004 -0.00058 178 2PY 0.00001 -0.00003 -0.00090 -0.00001 -0.00012 179 2PZ 0.00000 -0.00026 -0.00755 -0.00014 -0.00325 180 3S 0.00000 -0.00186 -0.00585 -0.00308 -0.01369 181 3PX 0.00007 0.00062 0.00420 -0.00017 0.00034 182 3PY 0.00009 -0.00064 -0.00312 -0.00010 -0.00030 183 3PZ -0.00001 -0.00614 -0.03002 -0.00288 -0.01157 184 4XX 0.00000 -0.00001 -0.00022 0.00003 0.00011 185 4YY 0.00000 0.00000 -0.00014 0.00000 0.00015 186 4ZZ 0.00000 0.00009 0.00078 0.00008 0.00047 187 4XY 0.00000 0.00000 0.00002 0.00001 0.00002 188 4XZ 0.00000 0.00001 0.00003 0.00006 0.00007 189 4YZ 0.00000 0.00003 -0.00016 0.00001 0.00004 156 157 158 159 160 156 20 H 1S 0.21549 157 2S 0.10062 0.12397 158 21 H 1S 0.00000 0.00000 0.22350 159 2S 0.00000 0.00008 0.11454 0.16574 160 22 O 1S 0.00000 0.00016 0.00000 0.00006 2.07557 161 2S -0.00006 -0.00225 -0.00005 -0.00107 -0.04159 162 2PX -0.00004 -0.00058 -0.00023 -0.00553 0.00000 163 2PY -0.00001 -0.00012 -0.00003 -0.00102 0.00000 164 2PZ -0.00014 -0.00325 0.00003 0.00091 0.00000 165 3S -0.00308 -0.01369 -0.00165 -0.00219 -0.04102 166 3PX -0.00017 0.00034 -0.00522 -0.02178 0.00000 167 3PY -0.00010 -0.00030 -0.00040 -0.00266 0.00000 168 3PZ -0.00288 -0.01157 0.00076 0.00434 0.00000 169 4XX 0.00003 0.00011 0.00010 0.00072 -0.00051 170 4YY 0.00000 0.00015 0.00000 -0.00028 -0.00042 171 4ZZ 0.00008 0.00047 -0.00001 -0.00023 -0.00047 172 4XY 0.00001 0.00002 0.00003 -0.00009 0.00000 173 4XZ 0.00006 0.00007 0.00001 0.00002 0.00000 174 4YZ 0.00001 0.00004 0.00000 0.00001 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00006 0.00000 176 2S 0.00000 0.00003 -0.00005 -0.00107 0.00000 177 2PX 0.00000 0.00010 -0.00023 -0.00553 0.00000 178 2PY 0.00000 0.00014 -0.00003 -0.00102 0.00000 179 2PZ 0.00000 -0.00001 0.00003 0.00091 0.00000 180 3S 0.00001 0.00029 -0.00165 -0.00219 -0.00002 181 3PX 0.00002 0.00085 -0.00522 -0.02178 0.00000 182 3PY 0.00003 0.00122 -0.00040 -0.00266 0.00002 183 3PZ 0.00000 -0.00018 0.00076 0.00434 0.00000 184 4XX 0.00000 0.00000 0.00010 0.00072 0.00000 185 4YY 0.00000 0.00002 0.00000 -0.00028 0.00000 186 4ZZ 0.00000 -0.00001 -0.00001 -0.00023 0.00000 187 4XY 0.00000 0.00000 0.00003 -0.00009 0.00000 188 4XZ 0.00000 0.00000 0.00001 0.00002 0.00000 189 4YZ 0.00000 -0.00001 0.00000 0.00001 0.00000 161 162 163 164 165 161 2S 0.50359 162 2PX 0.00000 0.64790 163 2PY 0.00000 0.00000 0.66561 164 2PZ 0.00000 0.00000 0.00000 0.71653 165 3S 0.45246 0.00000 0.00000 0.00000 0.75617 166 3PX 0.00000 0.20361 0.00000 0.00000 0.00000 167 3PY 0.00000 0.00000 0.21181 0.00000 0.00000 168 3PZ 0.00000 0.00000 0.00000 0.23212 0.00000 169 4XX -0.00156 0.00000 0.00000 0.00000 -0.00294 170 4YY -0.00456 0.00000 0.00000 0.00000 -0.01283 171 4ZZ -0.00299 0.00000 0.00000 0.00000 -0.00451 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00002 176 2S 0.00000 0.00000 -0.00001 0.00000 0.00039 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY -0.00001 0.00000 -0.00009 0.00000 -0.00113 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00039 0.00000 -0.00113 0.00000 0.00661 181 3PX 0.00000 0.00005 0.00000 0.00000 0.00000 182 3PY -0.00063 0.00000 -0.00629 0.00000 -0.00516 183 3PZ 0.00000 0.00000 0.00000 0.00014 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 -0.00002 185 4YY 0.00000 0.00000 0.00001 0.00000 -0.00029 186 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 167 168 169 170 166 3PX 0.26577 167 3PY 0.00000 0.26979 168 3PZ 0.00000 0.00000 0.30852 169 4XX 0.00000 0.00000 0.00000 0.00104 170 4YY 0.00000 0.00000 0.00000 -0.00011 0.00294 171 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00008 172 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 23 O 1S 0.00000 0.00002 0.00000 0.00000 0.00000 176 2S 0.00000 -0.00063 0.00000 0.00000 0.00000 177 2PX 0.00005 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 -0.00629 0.00000 0.00000 0.00001 179 2PZ 0.00000 0.00000 0.00014 0.00000 0.00000 180 3S 0.00000 -0.00516 0.00000 -0.00002 -0.00029 181 3PX 0.00052 0.00000 0.00000 0.00000 0.00000 182 3PY 0.00000 -0.02518 0.00000 -0.00006 0.00002 183 3PZ 0.00000 0.00000 0.00162 0.00000 0.00000 184 4XX 0.00000 -0.00006 0.00000 0.00000 0.00000 185 4YY 0.00000 0.00002 0.00000 0.00000 0.00003 186 4ZZ 0.00000 -0.00005 0.00000 0.00000 0.00000 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 172 173 174 175 171 4ZZ 0.00079 172 4XY 0.00000 0.00161 173 4XZ 0.00000 0.00000 0.00045 174 4YZ 0.00000 0.00000 0.00000 0.00151 175 23 O 1S 0.00000 0.00000 0.00000 0.00000 2.07557 176 2S 0.00000 0.00000 0.00000 0.00000 -0.04159 177 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 3S 0.00002 0.00000 0.00000 0.00000 -0.04102 181 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 182 3PY -0.00005 0.00000 0.00000 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XX 0.00000 0.00000 0.00000 0.00000 -0.00051 185 4YY 0.00000 0.00000 0.00000 0.00000 -0.00042 186 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00047 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 177 178 179 180 176 2S 0.50359 177 2PX 0.00000 0.64790 178 2PY 0.00000 0.00000 0.66561 179 2PZ 0.00000 0.00000 0.00000 0.71653 180 3S 0.45246 0.00000 0.00000 0.00000 0.75617 181 3PX 0.00000 0.20361 0.00000 0.00000 0.00000 182 3PY 0.00000 0.00000 0.21181 0.00000 0.00000 183 3PZ 0.00000 0.00000 0.00000 0.23212 0.00000 184 4XX -0.00156 0.00000 0.00000 0.00000 -0.00294 185 4YY -0.00456 0.00000 0.00000 0.00000 -0.01283 186 4ZZ -0.00299 0.00000 0.00000 0.00000 -0.00451 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 182 183 184 185 181 3PX 0.26577 182 3PY 0.00000 0.26980 183 3PZ 0.00000 0.00000 0.30851 184 4XX 0.00000 0.00000 0.00000 0.00104 185 4YY 0.00000 0.00000 0.00000 -0.00011 0.00294 186 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00008 187 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 188 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 189 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 187 188 189 186 4ZZ 0.00079 187 4XY 0.00000 0.00161 188 4XZ 0.00000 0.00000 0.00045 189 4YZ 0.00000 0.00000 0.00000 0.00151 Gross orbital populations: 1 1 1 C 1S 1.99191 2 2S 0.70501 3 2PX 0.64895 4 2PY 0.74795 5 2PZ 0.68315 6 3S 0.50002 7 3PX 0.32197 8 3PY 0.20203 9 3PZ 0.30109 10 4XX -0.01176 11 4YY 0.00155 12 4ZZ -0.00528 13 4XY 0.00869 14 4XZ 0.00540 15 4YZ 0.00997 16 2 C 1S 1.99191 17 2S 0.70501 18 2PX 0.64895 19 2PY 0.74795 20 2PZ 0.68315 21 3S 0.50002 22 3PX 0.32197 23 3PY 0.20203 24 3PZ 0.30110 25 4XX -0.01176 26 4YY 0.00155 27 4ZZ -0.00528 28 4XY 0.00869 29 4XZ 0.00540 30 4YZ 0.00997 31 3 C 1S 1.99262 32 2S 0.70383 33 2PX 0.61236 34 2PY 0.72535 35 2PZ 0.68244 36 3S 0.59619 37 3PX 0.32768 38 3PY 0.24311 39 3PZ 0.25795 40 4XX -0.01515 41 4YY 0.01157 42 4ZZ -0.00535 43 4XY 0.00395 44 4XZ 0.00662 45 4YZ 0.00631 46 4 C 1S 1.99220 47 2S 0.68132 48 2PX 0.72499 49 2PY 0.68460 50 2PZ 0.69614 51 3S 0.58934 52 3PX 0.33284 53 3PY 0.27010 54 3PZ 0.28727 55 4XX 0.00505 56 4YY -0.00217 57 4ZZ -0.00062 58 4XY 0.00716 59 4XZ 0.00968 60 4YZ 0.00762 61 5 C 1S 1.99220 62 2S 0.68132 63 2PX 0.72499 64 2PY 0.68460 65 2PZ 0.69614 66 3S 0.58934 67 3PX 0.33283 68 3PY 0.27010 69 3PZ 0.28727 70 4XX 0.00505 71 4YY -0.00217 72 4ZZ -0.00062 73 4XY 0.00716 74 4XZ 0.00969 75 4YZ 0.00762 76 6 C 1S 1.99262 77 2S 0.70383 78 2PX 0.61236 79 2PY 0.72535 80 2PZ 0.68244 81 3S 0.59619 82 3PX 0.32768 83 3PY 0.24311 84 3PZ 0.25795 85 4XX -0.01515 86 4YY 0.01157 87 4ZZ -0.00535 88 4XY 0.00395 89 4XZ 0.00662 90 4YZ 0.00631 91 7 H 1S 0.53307 92 2S 0.35110 93 8 H 1S 0.53307 94 2S 0.35110 95 9 H 1S 0.53359 96 2S 0.34361 97 10 H 1S 0.53199 98 2S 0.32147 99 11 H 1S 0.53199 100 2S 0.32147 101 12 H 1S 0.53359 102 2S 0.34361 103 13 H 1S 0.52953 104 2S 0.32409 105 14 H 1S 0.52953 106 2S 0.32409 107 15 C 1S 1.99193 108 2S 0.70992 109 2PX 0.73000 110 2PY 0.53059 111 2PZ 0.72494 112 3S 0.45533 113 3PX 0.24763 114 3PY 0.09849 115 3PZ 0.23702 116 4XX 0.01406 117 4YY 0.00335 118 4ZZ 0.01373 119 4XY 0.01769 120 4XZ 0.00681 121 4YZ 0.01936 122 16 C 1S 1.99219 123 2S 0.70394 124 2PX 0.59317 125 2PY 0.75709 126 2PZ 0.65430 127 3S 0.49498 128 3PX 0.25387 129 3PY 0.17399 130 3PZ 0.26762 131 4XX -0.00743 132 4YY 0.00527 133 4ZZ -0.00003 134 4XY 0.01112 135 4XZ 0.01091 136 4YZ 0.01425 137 17 C 1S 1.99219 138 2S 0.70394 139 2PX 0.59317 140 2PY 0.75709 141 2PZ 0.65429 142 3S 0.49498 143 3PX 0.25386 144 3PY 0.17399 145 3PZ 0.26762 146 4XX -0.00743 147 4YY 0.00527 148 4ZZ -0.00003 149 4XY 0.01112 150 4XZ 0.01091 151 4YZ 0.01425 152 18 H 1S 0.54161 153 2S 0.31783 154 19 H 1S 0.52970 155 2S 0.30213 156 20 H 1S 0.52970 157 2S 0.30213 158 21 H 1S 0.54013 159 2S 0.30934 160 22 O 1S 1.99234 161 2S 0.89932 162 2PX 0.93696 163 2PY 0.96356 164 2PZ 1.01237 165 3S 1.00625 166 3PX 0.52121 167 3PY 0.55960 168 3PZ 0.56880 169 4XX 0.00128 170 4YY -0.00122 171 4ZZ -0.00484 172 4XY 0.00766 173 4XZ 0.00371 174 4YZ 0.00696 175 23 O 1S 1.99234 176 2S 0.89932 177 2PX 0.93696 178 2PY 0.96356 179 2PZ 1.01236 180 3S 1.00625 181 3PX 0.52121 182 3PY 0.55960 183 3PZ 0.56879 184 4XX 0.00128 185 4YY -0.00122 186 4ZZ -0.00484 187 4XY 0.00766 188 4XZ 0.00371 189 4YZ 0.00696 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.906232 0.509927 -0.043944 -0.031231 -0.023519 0.553419 2 C 0.509927 4.906228 0.553421 -0.023519 -0.031230 -0.043944 3 C -0.043944 0.553421 4.999266 0.374477 -0.033024 -0.022710 4 C -0.031231 -0.023519 0.374477 5.060585 0.333678 -0.033023 5 C -0.023519 -0.031230 -0.033024 0.333678 5.060582 0.374477 6 C 0.553419 -0.043944 -0.022710 -0.033023 0.374477 4.999268 7 H 0.367131 -0.051751 0.006077 -0.000156 0.005698 -0.052127 8 H -0.051751 0.367130 -0.052127 0.005698 -0.000156 0.006077 9 H 0.007379 -0.042416 0.361913 -0.051200 0.005215 0.000137 10 H 0.001074 0.003493 -0.033816 0.352746 -0.027674 0.001388 11 H 0.003493 0.001074 0.001389 -0.027675 0.352747 -0.033815 12 H -0.042416 0.007379 0.000137 0.005215 -0.051200 0.361913 13 H -0.005863 0.001688 0.002384 -0.034061 0.375820 -0.039435 14 H 0.001688 -0.005863 -0.039434 0.375820 -0.034061 0.002384 15 C -0.000126 -0.000126 0.000261 -0.000447 -0.000447 0.000261 16 C -0.022835 -0.016894 0.109656 -0.004120 -0.014421 -0.006324 17 C -0.016895 -0.022834 -0.006324 -0.014420 -0.004120 0.109657 18 H -0.000062 -0.000062 0.000714 0.000522 0.000522 0.000714 19 H 0.002106 -0.004214 -0.018627 0.000461 0.000286 0.001041 20 H -0.004214 0.002106 0.001041 0.000286 0.000461 -0.018627 21 H 0.000006 0.000006 -0.000074 0.000065 0.000065 -0.000074 22 O 0.000580 0.000474 -0.000388 0.000320 -0.004498 -0.010797 23 O 0.000474 0.000580 -0.010796 -0.004499 0.000320 -0.000388 7 8 9 10 11 12 1 C 0.367131 -0.051751 0.007379 0.001074 0.003493 -0.042416 2 C -0.051751 0.367130 -0.042416 0.003493 0.001074 0.007379 3 C 0.006077 -0.052127 0.361913 -0.033816 0.001389 0.000137 4 C -0.000156 0.005698 -0.051200 0.352746 -0.027675 0.005215 5 C 0.005698 -0.000156 0.005215 -0.027674 0.352747 -0.051200 6 C -0.052127 0.006077 0.000137 0.001388 -0.033815 0.361913 7 H 0.624219 -0.007408 -0.000145 0.000017 -0.000199 -0.007995 8 H -0.007408 0.624220 -0.007995 -0.000199 0.000017 -0.000145 9 H -0.000145 -0.007995 0.613634 -0.000666 -0.000156 -0.000004 10 H 0.000017 -0.000199 -0.000666 0.605942 -0.012411 -0.000156 11 H -0.000199 0.000017 -0.000156 -0.012411 0.605943 -0.000666 12 H -0.007995 -0.000145 -0.000004 -0.000156 -0.000666 0.613634 13 H -0.000050 -0.000001 -0.000112 0.004405 -0.042569 -0.000656 14 H -0.000001 -0.000050 -0.000656 -0.042569 0.004405 -0.000112 15 C 0.000000 0.000000 -0.000038 -0.000292 -0.000292 -0.000038 16 C -0.000074 0.000631 -0.008902 -0.010509 0.000553 0.001100 17 C 0.000631 -0.000074 0.001099 0.000553 -0.010508 -0.008902 18 H 0.000000 0.000000 0.000009 -0.001803 -0.001803 0.000009 19 H 0.000020 0.000298 -0.000380 0.000522 -0.000050 -0.000034 20 H 0.000298 0.000020 -0.000034 -0.000050 0.000522 -0.000380 21 H 0.000000 0.000000 0.000000 0.000259 0.000259 0.000000 22 O -0.000014 0.000001 -0.000011 0.000124 0.013080 0.000523 23 O 0.000001 -0.000014 0.000523 0.013081 0.000124 -0.000011 13 14 15 16 17 18 1 C -0.005863 0.001688 -0.000126 -0.022835 -0.016895 -0.000062 2 C 0.001688 -0.005863 -0.000126 -0.016894 -0.022834 -0.000062 3 C 0.002384 -0.039434 0.000261 0.109656 -0.006324 0.000714 4 C -0.034061 0.375820 -0.000447 -0.004120 -0.014420 0.000522 5 C 0.375820 -0.034061 -0.000447 -0.014421 -0.004120 0.000522 6 C -0.039435 0.002384 0.000261 -0.006324 0.109657 0.000714 7 H -0.000050 -0.000001 0.000000 -0.000074 0.000631 0.000000 8 H -0.000001 -0.000050 0.000000 0.000631 -0.000074 0.000000 9 H -0.000112 -0.000656 -0.000038 -0.008902 0.001099 0.000009 10 H 0.004405 -0.042569 -0.000292 -0.010509 0.000553 -0.001803 11 H -0.042569 0.004405 -0.000292 0.000553 -0.010508 -0.001803 12 H -0.000656 -0.000112 -0.000038 0.001100 -0.008902 0.000009 13 H 0.602095 -0.012447 -0.000014 0.000341 0.002064 0.000088 14 H -0.012447 0.602096 -0.000014 0.002064 0.000341 0.000088 15 C -0.000014 -0.000014 4.669058 -0.058175 -0.058175 0.360626 16 C 0.000341 0.002064 -0.058175 4.923718 0.490225 0.004887 17 C 0.002064 0.000341 -0.058175 0.490225 4.923716 0.004887 18 H 0.000088 0.000088 0.360626 0.004887 0.004887 0.665517 19 H 0.000003 -0.000059 0.005649 0.381030 -0.042179 -0.000394 20 H -0.000059 0.000003 0.005649 -0.042178 0.381030 -0.000394 21 H -0.000002 -0.000002 0.366220 0.003982 0.003982 -0.072755 22 O 0.000029 -0.000028 0.255655 -0.039175 0.230646 -0.050937 23 O -0.000028 0.000029 0.255654 0.230646 -0.039175 -0.050938 19 20 21 22 23 1 C 0.002106 -0.004214 0.000006 0.000580 0.000474 2 C -0.004214 0.002106 0.000006 0.000474 0.000580 3 C -0.018627 0.001041 -0.000074 -0.000388 -0.010796 4 C 0.000461 0.000286 0.000065 0.000320 -0.004499 5 C 0.000286 0.000461 0.000065 -0.004498 0.000320 6 C 0.001041 -0.018627 -0.000074 -0.010797 -0.000388 7 H 0.000020 0.000298 0.000000 -0.000014 0.000001 8 H 0.000298 0.000020 0.000000 0.000001 -0.000014 9 H -0.000380 -0.000034 0.000000 -0.000011 0.000523 10 H 0.000522 -0.000050 0.000259 0.000124 0.013081 11 H -0.000050 0.000522 0.000259 0.013080 0.000124 12 H -0.000034 -0.000380 0.000000 0.000523 -0.000011 13 H 0.000003 -0.000059 -0.000002 0.000029 -0.000028 14 H -0.000059 0.000003 -0.000002 -0.000028 0.000029 15 C 0.005649 0.005649 0.366220 0.255655 0.255654 16 C 0.381030 -0.042178 0.003982 -0.039175 0.230646 17 C -0.042179 0.381030 0.003982 0.230646 -0.039175 18 H -0.000394 -0.000394 -0.072755 -0.050937 -0.050938 19 H 0.540699 -0.000191 0.000081 0.002500 -0.036733 20 H -0.000191 0.540700 0.000081 -0.036733 0.002500 21 H 0.000081 0.000081 0.618321 -0.035476 -0.035475 22 O 0.002500 -0.036733 -0.035476 8.190567 -0.042485 23 O -0.036733 0.002500 -0.035475 -0.042485 8.190566 Mulliken charges: 1 1 C -0.110653 2 C -0.110654 3 C -0.149471 4 C -0.285525 5 C -0.285524 6 C -0.149472 7 H 0.115827 8 H 0.115826 9 H 0.122804 10 H 0.146540 11 H 0.146539 12 H 0.122804 13 H 0.146378 14 H 0.146377 15 C 0.199154 16 C 0.074774 17 C 0.074775 18 H 0.140561 19 H 0.168163 20 H 0.168163 21 H 0.150528 22 O -0.473958 23 O -0.473958 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.005174 2 C 0.005173 3 C -0.026667 4 C 0.007393 5 C 0.007393 6 C -0.026667 15 C 0.490243 16 C 0.242937 17 C 0.242938 22 O -0.473958 23 O -0.473958 Electronic spatial extent (au): = 1462.8822 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.2913 Y= 0.0000 Z= -0.2505 Tot= 0.3842 Quadrupole moment (field-independent basis, Debye-Ang): XX= -66.0613 YY= -66.2575 ZZ= -61.0980 XY= 0.0000 XZ= -2.5920 YZ= -0.0001 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -1.5890 YY= -1.7852 ZZ= 3.3743 XY= 0.0000 XZ= -2.5920 YZ= -0.0001 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -35.3333 YYY= 0.0002 ZZZ= -4.5892 XYY= 4.5858 XXY= -0.0002 XXZ= 2.3227 XZZ= -4.2931 YZZ= 0.0000 YYZ= -4.6297 XYZ= 0.0001 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1027.3579 YYYY= -454.0213 ZZZZ= -400.8058 XXXY= 0.0003 XXXZ= -25.2432 YYYX= -0.0002 YYYZ= -0.0002 ZZZX= 1.4207 ZZZY= 0.0003 XXYY= -270.3081 XXZZ= -230.4604 YYZZ= -137.0168 XXYZ= -0.0004 YYXZ= -2.4751 ZZXY= 0.0000 N-N= 6.505328731206D+02 E-N=-2.466034300348D+03 KE= 4.958567194146D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.176835 29.026208 2 O -19.176831 29.026295 3 O -10.292297 15.888379 4 O -10.238598 15.880970 5 O -10.238016 15.892084 6 O -10.186435 15.890011 7 O -10.186413 15.884503 8 O -10.180368 15.882764 9 O -10.180192 15.889178 10 O -10.169363 15.876087 11 O -10.168861 15.885790 12 O -1.107169 2.296511 13 O -1.013195 2.785728 14 O -0.829083 1.400528 15 O -0.765909 1.721689 16 O -0.733695 1.473751 17 O -0.728676 1.513929 18 O -0.643758 1.895230 19 O -0.614530 1.756564 20 O -0.603988 1.457181 21 O -0.584675 1.408521 22 O -0.532373 1.336096 23 O -0.511536 1.178831 24 O -0.494177 0.996018 25 O -0.470195 1.352495 26 O -0.446714 1.573908 27 O -0.443552 1.142772 28 O -0.441051 1.573988 29 O -0.405579 1.357443 30 O -0.397902 1.212978 31 O -0.389633 1.719190 32 O -0.384146 1.292273 33 O -0.373286 1.574918 34 O -0.355257 2.366907 35 O -0.348815 1.413640 36 O -0.328580 1.796849 37 O -0.319424 1.470112 38 O -0.317078 1.391307 39 O -0.286258 1.368467 40 O -0.198004 1.279521 41 O -0.185597 1.798744 42 V -0.006986 1.479530 43 V 0.010187 1.673707 44 V 0.083784 0.940031 45 V 0.112324 0.984456 46 V 0.119131 1.770412 47 V 0.122473 1.842683 48 V 0.123160 1.000004 49 V 0.135170 1.073446 50 V 0.144245 1.535431 51 V 0.145259 1.041206 52 V 0.163940 1.653315 53 V 0.171443 1.388440 54 V 0.177647 1.367760 55 V 0.192699 1.270979 56 V 0.197768 2.353256 57 V 0.203002 1.219672 58 V 0.228870 1.314619 59 V 0.236119 1.143556 60 V 0.242717 1.412511 61 V 0.249117 1.439816 62 V 0.304390 1.683469 63 V 0.313627 1.479594 64 V 0.326618 1.752231 65 V 0.370135 2.525699 66 V 0.432160 1.929595 67 V 0.473979 1.814285 68 V 0.477973 1.842652 69 V 0.491399 1.616002 70 V 0.508302 2.036337 71 V 0.523168 2.095560 72 V 0.546530 2.522655 73 V 0.547873 1.755777 74 V 0.548669 2.108148 75 V 0.568904 2.371510 76 V 0.579347 2.171884 77 V 0.607436 2.323837 78 V 0.613355 1.950981 79 V 0.618228 1.942448 80 V 0.636306 2.358895 81 V 0.663090 2.521670 82 V 0.678634 2.532033 83 V 0.712831 2.399502 84 V 0.722928 2.418495 85 V 0.740943 2.512538 86 V 0.751901 2.579597 87 V 0.775360 2.174414 88 V 0.795752 2.393724 89 V 0.798774 2.614825 90 V 0.810696 2.533177 91 V 0.828476 2.500808 92 V 0.842089 2.285702 93 V 0.854433 2.766061 94 V 0.864506 2.706419 95 V 0.880609 2.597126 96 V 0.884454 2.489092 97 V 0.885198 2.710976 98 V 0.887090 2.868348 99 V 0.898055 2.577260 100 V 0.913839 2.700582 101 V 0.937169 2.656014 102 V 0.940299 2.589385 103 V 0.951231 2.714959 104 V 1.007937 2.256274 105 V 1.014394 2.336104 106 V 1.022960 2.836237 107 V 1.027239 2.465138 108 V 1.092085 3.076109 109 V 1.099201 2.654251 110 V 1.114147 2.823432 111 V 1.149211 2.615998 112 V 1.151854 2.999964 113 V 1.189446 2.470873 114 V 1.204050 2.548117 115 V 1.251270 2.394750 116 V 1.264398 2.522640 117 V 1.367270 2.620173 118 V 1.370442 2.851782 119 V 1.398335 2.557570 120 V 1.427079 2.655340 121 V 1.432161 2.569734 122 V 1.438591 2.643693 123 V 1.475740 2.604530 124 V 1.492044 2.727387 125 V 1.526425 2.731796 126 V 1.585284 2.729115 127 V 1.639983 2.848154 128 V 1.661085 2.867818 129 V 1.720437 2.847519 130 V 1.723417 2.956250 131 V 1.758456 2.890048 132 V 1.770893 3.084047 133 V 1.794192 3.089685 134 V 1.860012 3.080351 135 V 1.877775 3.223077 136 V 1.885339 3.369061 137 V 1.908418 3.243896 138 V 1.935611 3.247699 139 V 1.958246 3.419530 140 V 1.976516 3.549591 141 V 1.978374 3.699347 142 V 1.981021 3.551628 143 V 2.000540 3.502518 144 V 2.019371 3.666314 145 V 2.041582 3.521360 146 V 2.088894 3.490919 147 V 2.120236 3.689743 148 V 2.140819 3.517849 149 V 2.160226 3.640698 150 V 2.230106 3.505944 151 V 2.254876 3.549622 152 V 2.262029 3.557643 153 V 2.279880 3.600169 154 V 2.291941 3.680059 155 V 2.309598 3.817639 156 V 2.318543 3.601891 157 V 2.371181 3.779163 158 V 2.401510 3.844975 159 V 2.434366 3.875128 160 V 2.448092 3.771405 161 V 2.451438 3.854170 162 V 2.484077 3.927509 163 V 2.522269 3.909302 164 V 2.545385 4.007292 165 V 2.598902 4.362549 166 V 2.627404 4.427863 167 V 2.645180 4.262194 168 V 2.675689 4.223215 169 V 2.692960 4.304456 170 V 2.694418 4.369072 171 V 2.736157 4.291620 172 V 2.765935 4.303068 173 V 2.803889 4.577625 174 V 2.866863 4.485894 175 V 2.879939 4.651899 176 V 2.944566 4.768116 177 V 3.105771 4.916568 178 V 3.131192 4.838743 179 V 4.006239 10.862523 180 V 4.105767 10.794566 181 V 4.127666 10.147708 182 V 4.252017 10.394691 183 V 4.268091 10.250129 184 V 4.362063 10.479354 185 V 4.370177 10.258838 186 V 4.448572 10.340543 187 V 4.489349 10.367747 188 V 4.649656 10.705343 189 V 4.874517 11.552593 Total kinetic energy from orbitals= 4.958567194146D+02 1|1| IMPERIAL COLLEGE-CHWS-267|SP|RB3LYP|6-31G(d)|C9H12O2|EJR15|14-Dec -2017|0||# b3lyp/6-31g(d) geom=connectivity integral=grid=ultrafine po p=full gfprint||exercise2_ts_exo_energy_mos||0,1|C,0,-2.109637,-0.7038 98,-0.726669|C,0,-2.109652,0.703857,-0.726687|C,0,-1.194056,1.364529,0 .078215|C,0,-0.792321,0.779113,1.41668|C,0,-0.792323,-0.779064,1.41670 9|C,0,-1.194034,-1.364528,0.078259|H,0,-2.649296,-1.244426,-1.501905|H ,0,-2.649327,1.244354,-1.501934|H,0,-1.088682,2.444701,-0.01234|H,0,0. 181082,1.183565,1.71522|H,0,0.181072,-1.183506,1.715289|H,0,-1.088639, -2.4447,-0.012266|H,0,-1.507541,-1.141873,2.167965|H,0,-1.507524,1.141 951,2.167936|C,0,2.404164,0.000009,0.418616|C,0,0.758508,0.694596,-0.9 70984|C,0,0.758509,-0.694623,-0.970962|H,0,2.20015,0.000021,1.498175|H ,0,0.506234,1.344583,-1.792194|H,0,0.506233,-1.344635,-1.792152|H,0,3. 487552,0.000009,0.240074|O,0,1.815863,-1.147925,-0.185671|O,0,1.815855 ,1.147925,-0.185696||Version=EM64W-G09RevD.01|State=1-A|HF=-500.488669 |RMSD=4.069e-009|Dipole=0.1145878,-0.0000042,-0.0985556|Quadrupole=-1. 1814072,-1.3272777,2.5086849,0.0000168,1.9270662,0.0000587|PG=C01 [X(C 9H12O2)]||@ There ain't no surer way to find out whether you like people or hate them than to travel with them. -- Mark Twain Job cpu time: 0 days 0 hours 0 minutes 57.0 seconds. File lengths (MBytes): RWF= 16 Int= 0 D2E= 0 Chk= 2 Scr= 1 Normal termination of Gaussian 09 at Thu Dec 14 10:54:05 2017.