Default is to use a total of 8 processors: 8 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 8568. 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 26-Jan-2018 ****************************************** %nprocshared=1 Will use up to 1 processors via shared memory. %chk=\\icnas4.cc.ic.ac.uk\ohc15\Desktop\TST\Ex2\Jmol\Exo_TS_B3.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; ------------------- Title Card Required ------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C 0.75851 -0.69461 -0.97085 C 0.75851 0.69461 -0.97085 C -1.19399 1.36453 0.07817 C -2.10957 0.70388 -0.72681 C -2.10957 -0.70388 -0.72681 C -1.19399 -1.36453 0.07817 H 0.50626 -1.34454 -1.79211 H -2.64917 1.24439 -1.50209 H -2.64917 -1.24439 -1.50209 H -1.08855 -2.44469 -0.01235 H -1.08855 2.44469 -0.01234 H 0.50626 1.34455 -1.79211 C -0.79259 -0.77908 1.41671 H -1.50805 -1.1419 2.16774 H 0.1807 -1.1835 1.71563 C -0.79259 0.77908 1.41671 H 0.1807 1.1835 1.71563 H -1.50805 1.14189 2.16774 O 1.81586 -1.14799 -0.18557 O 1.81586 1.14799 -0.18557 C 2.40446 0. 0.41854 H 2.20089 0. 1.49817 H 3.48777 0. 0.23954 Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.758511 -0.694608 -0.970853 2 6 0 0.758511 0.694609 -0.970852 3 6 0 -1.193988 1.364526 0.078166 4 6 0 -2.109566 0.703879 -0.726808 5 6 0 -2.109566 -0.703877 -0.726809 6 6 0 -1.193990 -1.364526 0.078165 7 1 0 0.506258 -1.344543 -1.792112 8 1 0 -2.649170 1.244392 -1.502093 9 1 0 -2.649171 -1.244390 -1.502094 10 1 0 -1.088551 -2.444693 -0.012345 11 1 0 -1.088549 2.444693 -0.012342 12 1 0 0.506259 1.344545 -1.792111 13 6 0 -0.792590 -0.779080 1.416709 14 1 0 -1.508046 -1.141895 2.167742 15 1 0 0.180701 -1.183502 1.715629 16 6 0 -0.792590 0.779078 1.416709 17 1 0 0.180701 1.183499 1.715631 18 1 0 -1.508046 1.141893 2.167743 19 8 0 1.815864 -1.147993 -0.185571 20 8 0 1.815864 1.147993 -0.185570 21 6 0 2.404457 0.000000 0.418535 22 1 0 2.200893 -0.000001 1.498172 23 1 0 3.487770 0.000000 0.239543 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.389217 0.000000 3 C 3.025347 2.315487 0.000000 4 C 3.200186 2.878456 1.386622 0.000000 5 C 2.878456 3.200185 2.400950 1.407756 0.000000 6 C 2.315489 3.025349 2.729052 2.400950 1.386622 7 H 1.077271 2.212745 3.705109 3.489046 2.896180 8 H 3.956542 3.492387 2.151559 1.088298 2.165177 9 H 3.492388 3.956543 3.379530 2.165178 1.088299 10 H 2.719039 3.766376 3.811753 3.386212 2.140881 11 H 3.766376 2.719038 1.089068 2.140881 3.386212 12 H 2.212745 1.077272 2.527682 2.896181 3.489046 13 C 2.848421 3.205951 2.558880 2.920318 2.516893 14 H 3.897194 4.284950 3.278278 3.485273 2.988664 15 H 2.791069 3.328415 3.326184 3.843570 3.382435 16 C 3.205950 2.848420 1.515113 2.516892 2.920317 17 H 3.328415 2.791069 2.145654 3.382435 3.843569 18 H 4.284951 3.897194 2.124742 2.988663 3.485273 19 O 1.392918 2.264916 3.929570 4.373942 3.987377 20 O 2.264916 1.392918 3.029134 3.987377 4.373941 21 C 2.263187 2.263187 3.863494 4.709953 4.709953 22 H 2.942623 2.942623 3.924738 4.901636 4.901636 23 H 3.065354 3.065354 4.879224 5.723587 5.723587 6 7 8 9 10 6 C 0.000000 7 H 2.527682 0.000000 8 H 3.379529 4.091873 0.000000 9 H 2.151558 3.170311 2.488782 0.000000 10 H 1.089068 2.630839 4.273667 2.468930 0.000000 11 H 3.811753 4.479877 2.468931 4.273668 4.889386 12 H 3.705111 2.689088 3.170311 4.091874 4.479878 13 C 1.515114 3.507604 4.007584 3.490389 2.214510 14 H 2.124742 4.447351 4.523739 3.844524 2.574109 15 H 2.145655 3.526495 4.925096 4.285513 2.487468 16 C 2.558879 4.061195 3.490388 4.007584 3.538713 17 H 3.326184 4.336040 4.285513 4.925096 4.214342 18 H 3.278278 5.091192 3.844524 4.523739 4.218099 19 O 3.029136 2.081988 5.233858 4.656078 3.185446 20 O 3.929571 3.241725 4.656077 5.233858 4.623097 21 C 3.863496 3.209037 5.547654 5.547655 4.285241 22 H 3.924739 3.937709 5.837227 5.837227 4.367908 23 H 4.879226 3.850303 6.499526 6.499527 5.194486 11 12 13 14 15 11 H 0.000000 12 H 2.630839 0.000000 13 C 3.538713 4.061197 0.000000 14 H 4.218099 5.091193 1.098892 0.000000 15 H 4.214342 4.336041 1.095539 1.748715 0.000000 16 C 2.214509 3.507604 1.558158 2.183132 2.210966 17 H 2.487468 3.526497 2.210965 2.909249 2.367001 18 H 2.574109 4.447352 2.183132 2.283788 2.909250 19 O 4.623096 3.241725 3.083412 4.072652 2.507904 20 O 3.185444 2.081987 3.617311 4.672263 3.424060 21 C 4.285239 3.209036 3.438666 4.435237 2.833411 22 H 4.367907 3.937709 3.094275 3.938080 2.351412 23 H 5.194484 3.850302 4.507124 5.475404 3.810015 16 17 18 19 20 16 C 0.000000 17 H 1.095539 0.000000 18 H 1.098892 1.748715 0.000000 19 O 3.617311 3.424059 4.672263 0.000000 20 O 3.083412 2.507904 4.072652 2.295986 0.000000 21 C 3.438666 2.833411 4.435237 1.424526 1.424525 22 H 3.094275 2.351412 3.938080 2.073915 2.073915 23 H 4.507124 3.810015 5.475404 2.072168 2.072168 21 22 23 21 C 0.000000 22 H 1.098660 0.000000 23 H 1.098001 1.800055 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 -0.758511 0.694608 -0.970853 2 6 0 -0.758511 -0.694609 -0.970852 3 6 0 1.193988 -1.364526 0.078166 4 6 0 2.109566 -0.703879 -0.726808 5 6 0 2.109566 0.703877 -0.726809 6 6 0 1.193990 1.364526 0.078165 7 1 0 -0.506258 1.344543 -1.792112 8 1 0 2.649170 -1.244392 -1.502093 9 1 0 2.649171 1.244390 -1.502094 10 1 0 1.088551 2.444693 -0.012345 11 1 0 1.088549 -2.444693 -0.012342 12 1 0 -0.506259 -1.344545 -1.792111 13 6 0 0.792590 0.779080 1.416709 14 1 0 1.508046 1.141895 2.167742 15 1 0 -0.180701 1.183502 1.715629 16 6 0 0.792590 -0.779078 1.416709 17 1 0 -0.180701 -1.183499 1.715631 18 1 0 1.508046 -1.141893 2.167743 19 8 0 -1.815864 1.147993 -0.185571 20 8 0 -1.815864 -1.147993 -0.185570 21 6 0 -2.404457 0.000000 0.418535 22 1 0 -2.200893 0.000001 1.498172 23 1 0 -3.487770 0.000000 0.239543 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9100537 1.0126951 0.9486293 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 -1.433377806866 1.312619080825 -1.834646446609 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 -1.433377806866 1.312619080825 -1.834646446609 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 -1.433377806866 1.312619080825 -1.834646446609 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 -1.433377806866 1.312619080825 -1.834646446609 0.8000000000D+00 0.1000000000D+01 Atom C2 Shell 5 S 6 bf 16 - 16 -1.433377988060 -1.312620588324 -1.834644556882 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 -1.433377988060 -1.312620588324 -1.834644556882 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 -1.433377988060 -1.312620588324 -1.834644556882 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C2 Shell 8 D 1 bf 25 - 30 -1.433377988060 -1.312620588324 -1.834644556882 0.8000000000D+00 0.1000000000D+01 Atom C3 Shell 9 S 6 bf 31 - 31 2.256310309297 -2.578580504750 0.147712171585 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 2.256310309297 -2.578580504750 0.147712171585 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 2.256310309297 -2.578580504750 0.147712171585 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 12 D 1 bf 40 - 45 2.256310309297 -2.578580504750 0.147712171585 0.8000000000D+00 0.1000000000D+01 Atom C4 Shell 13 S 6 bf 46 - 46 3.986502068759 -1.330138723655 -1.373468232508 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 3.986502068759 -1.330138723655 -1.373468232508 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 3.986502068759 -1.330138723655 -1.373468232508 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C4 Shell 16 D 1 bf 55 - 60 3.986502068759 -1.330138723655 -1.373468232508 0.8000000000D+00 0.1000000000D+01 Atom C5 Shell 17 S 6 bf 61 - 61 3.986502252371 1.330134578271 -1.373470122235 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 3.986502252371 1.330134578271 -1.373470122235 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 3.986502252371 1.330134578271 -1.373470122235 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C5 Shell 20 D 1 bf 70 - 75 3.986502252371 1.330134578271 -1.373470122235 0.8000000000D+00 0.1000000000D+01 Atom C6 Shell 21 S 6 bf 76 - 76 2.256314444695 2.578580377653 0.147710281859 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 2.256314444695 2.578580377653 0.147710281859 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 2.256314444695 2.578580377653 0.147710281859 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C6 Shell 24 D 1 bf 85 - 90 2.256314444695 2.578580377653 0.147710281859 0.8000000000D+00 0.1000000000D+01 Atom H7 Shell 25 S 3 bf 91 - 91 -0.956688635898 2.540818202101 -3.386601040776 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 -0.956688635898 2.540818202101 -3.386601040776 0.1612777588D+00 0.1000000000D+01 Atom H8 Shell 27 S 3 bf 93 - 93 5.006205778470 -2.351560335299 -2.838544557443 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 5.006205778470 -2.351560335299 -2.838544557443 0.1612777588D+00 0.1000000000D+01 Atom H9 Shell 29 S 3 bf 95 - 95 5.006207992805 2.351556049156 -2.838546447169 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 5.006207992805 2.351556049156 -2.838546447169 0.1612777588D+00 0.1000000000D+01 Atom H10 Shell 31 S 3 bf 97 - 97 2.057063751855 4.619800199186 -0.023328830429 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 2.057063751855 4.619800199186 -0.023328830429 0.1612777588D+00 0.1000000000D+01 Atom H11 Shell 33 S 3 bf 99 - 99 2.057059334687 -4.619800298779 -0.023323161250 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 2.057059334687 -4.619800298779 -0.023323161250 0.1612777588D+00 0.1000000000D+01 Atom H12 Shell 35 S 3 bf 101 - 101 -0.956690876358 -2.540821665128 -3.386599151050 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 -0.956690876358 -2.540821665128 -3.386599151050 0.1612777588D+00 0.1000000000D+01 Atom C13 Shell 37 S 6 bf 103 - 103 1.497778298596 1.472247824414 2.677191858676 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 C13 Shell 38 SP 3 bf 104 - 107 1.497778298596 1.472247824414 2.677191858676 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 C13 Shell 39 SP 1 bf 108 - 111 1.497778298596 1.472247824414 2.677191858676 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C13 Shell 40 D 1 bf 112 - 117 1.497778298596 1.472247824414 2.677191858676 0.8000000000D+00 0.1000000000D+01 Atom H14 Shell 41 S 3 bf 118 - 118 2.849794246047 2.157868718001 4.096438545436 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H14 Shell 42 S 1 bf 119 - 119 2.849794246047 2.157868718001 4.096438545436 0.1612777588D+00 0.1000000000D+01 Atom H15 Shell 43 S 3 bf 120 - 120 -0.341475086258 2.236494773473 3.242068794318 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H15 Shell 44 S 1 bf 121 - 121 -0.341475086258 2.236494773473 3.242068794318 0.1612777588D+00 0.1000000000D+01 Atom C16 Shell 45 S 6 bf 122 - 122 1.497778095368 -1.472244067351 2.677191858676 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 1.497778095368 -1.472244067351 2.677191858676 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 1.497778095368 -1.472244067351 2.677191858676 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C16 Shell 48 D 1 bf 131 - 136 1.497778095368 -1.472244067351 2.677191858676 0.8000000000D+00 0.1000000000D+01 Atom H17 Shell 49 S 3 bf 137 - 137 -0.341475394983 -2.236488872794 3.242072573771 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H17 Shell 50 S 1 bf 138 - 138 -0.341475394983 -2.236488872794 3.242072573771 0.1612777588D+00 0.1000000000D+01 Atom H18 Shell 51 S 3 bf 139 - 139 2.849793948176 -2.157865147570 4.096440435162 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H18 Shell 52 S 1 bf 140 - 140 2.849793948176 -2.157865147570 4.096440435162 0.1612777588D+00 0.1000000000D+01 Atom O19 Shell 53 S 6 bf 141 - 141 -3.431485343517 2.169392701492 -0.350678529524 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 O19 Shell 54 SP 3 bf 142 - 145 -3.431485343517 2.169392701492 -0.350678529524 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 O19 Shell 55 SP 1 bf 146 - 149 -3.431485343517 2.169392701492 -0.350678529524 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O19 Shell 56 D 1 bf 150 - 155 -3.431485343517 2.169392701492 -0.350678529524 0.8000000000D+00 0.1000000000D+01 Atom O20 Shell 57 S 6 bf 156 - 156 -3.431485642979 -2.169392043448 -0.350676639798 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 O20 Shell 58 SP 3 bf 157 - 160 -3.431485642979 -2.169392043448 -0.350676639798 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 O20 Shell 59 SP 1 bf 161 - 164 -3.431485642979 -2.169392043448 -0.350676639798 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O20 Shell 60 D 1 bf 165 - 170 -3.431485642979 -2.169392043448 -0.350676639798 0.8000000000D+00 0.1000000000D+01 Atom C21 Shell 61 S 6 bf 171 - 171 -4.543765066982 0.000000405792 0.790916365709 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 C21 Shell 62 SP 3 bf 172 - 175 -4.543765066982 0.000000405792 0.790916365709 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 C21 Shell 63 SP 1 bf 176 - 179 -4.543765066982 0.000000405792 0.790916365709 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C21 Shell 64 D 1 bf 180 - 185 -4.543765066982 0.000000405792 0.790916365709 0.8000000000D+00 0.1000000000D+01 Atom H22 Shell 65 S 3 bf 186 - 186 -4.159084856467 0.000002268967 2.831134618639 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H22 Shell 66 S 1 bf 187 - 187 -4.159084856467 0.000002268967 2.831134618639 0.1612777588D+00 0.1000000000D+01 Atom H23 Shell 67 S 3 bf 188 - 188 -6.590929953176 0.000000547087 0.452670505732 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H23 Shell 68 S 1 bf 189 - 189 -6.590929953176 0.000000547087 0.452670505732 0.1612777588D+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 650.5228859440 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=164757679. 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) = -500.488668970 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 -10.29231 -10.23860 -10.23802 Alpha occ. eigenvalues -- -10.18643 -10.18641 -10.18036 -10.18019 -10.16936 Alpha occ. eigenvalues -- -10.16886 -1.10713 -1.01317 -0.82908 -0.76590 Alpha occ. eigenvalues -- -0.73369 -0.72867 -0.64377 -0.61451 -0.60398 Alpha occ. eigenvalues -- -0.58467 -0.53236 -0.51151 -0.49417 -0.47020 Alpha occ. eigenvalues -- -0.44670 -0.44355 -0.44106 -0.40558 -0.39790 Alpha occ. eigenvalues -- -0.38963 -0.38414 -0.37326 -0.35525 -0.34881 Alpha occ. eigenvalues -- -0.32858 -0.31942 -0.31708 -0.28625 -0.19800 Alpha occ. eigenvalues -- -0.18560 Alpha virt. eigenvalues -- -0.00698 0.01018 0.08377 0.11232 0.11912 Alpha virt. eigenvalues -- 0.12247 0.12316 0.13517 0.14425 0.14526 Alpha virt. eigenvalues -- 0.16393 0.17145 0.17764 0.19270 0.19772 Alpha virt. eigenvalues -- 0.20300 0.22882 0.23611 0.24270 0.24913 Alpha virt. eigenvalues -- 0.30440 0.31361 0.32662 0.37011 0.43216 Alpha virt. eigenvalues -- 0.47398 0.47794 0.49140 0.50827 0.52316 Alpha virt. eigenvalues -- 0.54651 0.54787 0.54867 0.56890 0.57935 Alpha virt. eigenvalues -- 0.60745 0.61336 0.61822 0.63632 0.66310 Alpha virt. eigenvalues -- 0.67864 0.71284 0.72295 0.74095 0.75192 Alpha virt. eigenvalues -- 0.77534 0.79576 0.79876 0.81066 0.82848 Alpha virt. eigenvalues -- 0.84200 0.85444 0.86452 0.88062 0.88447 Alpha virt. eigenvalues -- 0.88520 0.88709 0.89806 0.91380 0.93717 Alpha virt. eigenvalues -- 0.94028 0.95122 1.00797 1.01440 1.02297 Alpha virt. eigenvalues -- 1.02719 1.09205 1.09918 1.11414 1.14919 Alpha virt. eigenvalues -- 1.15181 1.18938 1.20406 1.25130 1.26444 Alpha virt. eigenvalues -- 1.36727 1.37043 1.39834 1.42715 1.43217 Alpha virt. eigenvalues -- 1.43861 1.47573 1.49205 1.52644 1.58531 Alpha virt. eigenvalues -- 1.63997 1.66107 1.72040 1.72342 1.75845 Alpha virt. eigenvalues -- 1.77090 1.79420 1.86000 1.87774 1.88529 Alpha virt. eigenvalues -- 1.90843 1.93559 1.95824 1.97649 1.97828 Alpha virt. eigenvalues -- 1.98101 2.00055 2.01934 2.04153 2.08886 Alpha virt. eigenvalues -- 2.12026 2.14078 2.16026 2.23003 2.25489 Alpha virt. eigenvalues -- 2.26209 2.27979 2.29194 2.30952 2.31851 Alpha virt. eigenvalues -- 2.37118 2.40149 2.43436 2.44805 2.45142 Alpha virt. eigenvalues -- 2.48406 2.52227 2.54540 2.59887 2.62736 Alpha virt. eigenvalues -- 2.64516 2.67572 2.69296 2.69442 2.73616 Alpha virt. eigenvalues -- 2.76583 2.80385 2.86682 2.87987 2.94455 Alpha virt. eigenvalues -- 3.10579 3.13114 4.00618 4.10567 4.12768 Alpha virt. eigenvalues -- 4.25201 4.26811 4.36204 4.37021 4.44855 Alpha virt. eigenvalues -- 4.48938 4.64964 4.87450 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.17684 -19.17683 -10.29231 -10.23860 -10.23802 1 1 C 1S -0.00001 0.00000 -0.00012 0.70201 0.70239 2 2S -0.00017 0.00026 -0.00038 0.03460 0.03561 3 2PX 0.00021 -0.00016 -0.00006 -0.00041 -0.00036 4 2PY -0.00009 0.00012 0.00014 0.00024 -0.00010 5 2PZ -0.00017 0.00012 0.00002 0.00060 0.00067 6 3S 0.00178 -0.00139 0.00089 -0.00716 -0.01899 7 3PX -0.00101 0.00045 -0.00066 -0.00005 0.00024 8 3PY 0.00041 -0.00049 -0.00057 -0.00047 0.00480 9 3PZ 0.00091 -0.00031 0.00080 -0.00080 -0.00264 10 4XX -0.00011 0.00006 0.00007 -0.00639 -0.00611 11 4YY -0.00015 0.00000 -0.00003 -0.00645 -0.00589 12 4ZZ -0.00006 0.00001 -0.00003 -0.00635 -0.00604 13 4XY 0.00004 -0.00007 0.00004 -0.00009 0.00002 14 4XZ 0.00006 -0.00004 -0.00018 -0.00019 -0.00019 15 4YZ -0.00003 0.00007 0.00000 -0.00007 -0.00001 16 2 C 1S 0.00001 0.00000 -0.00012 0.70205 -0.70235 17 2S 0.00017 0.00026 -0.00038 0.03460 -0.03560 18 2PX -0.00021 -0.00015 -0.00006 -0.00041 0.00036 19 2PY -0.00009 -0.00012 -0.00014 -0.00024 -0.00010 20 2PZ 0.00017 0.00012 0.00002 0.00060 -0.00067 21 3S -0.00178 -0.00139 0.00089 -0.00716 0.01899 22 3PX 0.00101 0.00045 -0.00066 -0.00005 -0.00024 23 3PY 0.00042 0.00049 0.00057 0.00047 0.00480 24 3PZ -0.00092 -0.00031 0.00080 -0.00080 0.00264 25 4XX 0.00011 0.00006 0.00007 -0.00639 0.00611 26 4YY 0.00015 0.00000 -0.00003 -0.00645 0.00589 27 4ZZ 0.00006 0.00001 -0.00003 -0.00635 0.00604 28 4XY 0.00004 0.00007 -0.00004 0.00009 0.00002 29 4XZ -0.00006 -0.00004 -0.00018 -0.00019 0.00019 30 4YZ -0.00003 -0.00007 0.00000 0.00007 -0.00001 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 0.00105 0.00047 -0.00079 0.00148 -0.00369 37 3PX -0.00001 0.00013 0.00019 -0.00090 0.00076 38 3PY 0.00047 0.00014 -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 0.00002 0.00001 -0.00002 -0.00008 0.00004 47 2S 0.00010 0.00006 -0.00007 -0.00010 0.00006 48 2PX -0.00001 0.00000 0.00002 0.00007 -0.00005 49 2PY -0.00001 0.00001 -0.00005 -0.00001 0.00000 50 2PZ -0.00001 -0.00002 0.00001 0.00003 0.00001 51 3S -0.00106 -0.00050 0.00019 0.00041 0.00110 52 3PX 0.00043 0.00018 -0.00024 0.00002 -0.00054 53 3PY -0.00024 0.00011 0.00025 -0.00017 0.00035 54 3PZ -0.00028 -0.00006 0.00019 -0.00007 0.00056 55 4XX 0.00001 0.00000 -0.00001 -0.00006 0.00003 56 4YY 0.00002 0.00002 -0.00003 -0.00006 0.00005 57 4ZZ 0.00003 0.00003 -0.00003 -0.00007 0.00004 58 4XY 0.00000 -0.00001 -0.00001 0.00002 -0.00001 59 4XZ 0.00002 0.00002 -0.00002 0.00000 0.00001 60 4YZ 0.00001 0.00000 0.00000 -0.00006 0.00006 61 5 C 1S -0.00002 0.00001 -0.00002 -0.00008 -0.00004 62 2S -0.00009 0.00006 -0.00007 -0.00010 -0.00006 63 2PX 0.00001 0.00000 0.00002 0.00007 0.00005 64 2PY -0.00001 -0.00001 0.00005 0.00001 0.00000 65 2PZ 0.00001 -0.00002 0.00001 0.00003 -0.00001 66 3S 0.00106 -0.00050 0.00019 0.00041 -0.00110 67 3PX -0.00043 0.00018 -0.00024 0.00002 0.00054 68 3PY -0.00024 -0.00011 -0.00025 0.00017 0.00035 69 3PZ 0.00028 -0.00006 0.00019 -0.00007 -0.00056 70 4XX -0.00001 0.00000 -0.00001 -0.00006 -0.00003 71 4YY -0.00002 0.00002 -0.00003 -0.00006 -0.00005 72 4ZZ -0.00003 0.00003 -0.00003 -0.00007 -0.00004 73 4XY 0.00000 0.00001 0.00001 -0.00002 -0.00001 74 4XZ -0.00002 0.00002 -0.00002 0.00000 -0.00001 75 4YZ 0.00001 0.00000 0.00000 0.00006 0.00006 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 -0.00105 0.00047 -0.00079 0.00148 0.00369 82 3PX 0.00001 0.00013 0.00019 -0.00090 -0.00076 83 3PY 0.00047 -0.00015 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 -0.00004 0.00011 0.00006 -0.00026 -0.00012 92 2S 0.00006 0.00011 0.00039 0.00139 0.00070 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 0.00000 0.00002 0.00003 0.00001 -0.00002 96 2S 0.00010 0.00001 0.00012 -0.00020 -0.00028 97 10 H 1S 0.00001 -0.00001 -0.00002 -0.00006 -0.00005 98 2S -0.00010 0.00002 -0.00025 -0.00007 0.00001 99 11 H 1S -0.00001 -0.00001 -0.00002 -0.00006 0.00005 100 2S 0.00010 0.00002 -0.00025 -0.00007 -0.00001 101 12 H 1S 0.00004 0.00011 0.00006 -0.00026 0.00012 102 2S -0.00006 0.00011 0.00039 0.00139 -0.00070 103 13 C 1S -0.00001 -0.00001 -0.00002 -0.00010 -0.00014 104 2S -0.00003 -0.00005 -0.00005 -0.00012 -0.00029 105 2PX 0.00003 0.00000 0.00006 0.00013 0.00015 106 2PY 0.00001 0.00001 0.00004 0.00004 -0.00001 107 2PZ 0.00003 -0.00002 0.00000 0.00020 0.00027 108 3S 0.00037 0.00033 0.00051 -0.00023 0.00028 109 3PX 0.00004 -0.00011 -0.00002 -0.00054 -0.00141 110 3PY -0.00018 0.00008 0.00001 -0.00019 -0.00084 111 3PZ -0.00045 0.00008 -0.00041 -0.00027 -0.00056 112 4XX -0.00003 0.00000 -0.00003 -0.00006 -0.00011 113 4YY 0.00000 -0.00001 -0.00002 -0.00010 -0.00010 114 4ZZ 0.00000 -0.00003 0.00002 -0.00011 -0.00016 115 4XY 0.00000 0.00000 -0.00002 -0.00001 0.00005 116 4XZ -0.00003 0.00001 -0.00003 -0.00001 -0.00003 117 4YZ 0.00001 0.00000 -0.00001 -0.00004 0.00003 118 14 H 1S 0.00002 -0.00002 0.00001 0.00005 0.00013 119 2S 0.00012 -0.00003 0.00012 0.00049 0.00082 120 15 H 1S -0.00009 0.00004 -0.00007 -0.00004 -0.00018 121 2S 0.00031 -0.00032 0.00010 -0.00027 -0.00023 122 16 C 1S 0.00001 -0.00001 -0.00002 -0.00010 0.00014 123 2S 0.00003 -0.00005 -0.00005 -0.00012 0.00029 124 2PX -0.00003 0.00000 0.00006 0.00013 -0.00015 125 2PY 0.00001 -0.00001 -0.00004 -0.00004 -0.00001 126 2PZ -0.00003 -0.00002 0.00000 0.00020 -0.00027 127 3S -0.00037 0.00033 0.00051 -0.00023 -0.00028 128 3PX -0.00004 -0.00011 -0.00002 -0.00054 0.00141 129 3PY -0.00018 -0.00008 -0.00001 0.00019 -0.00084 130 3PZ 0.00045 0.00008 -0.00041 -0.00027 0.00056 131 4XX 0.00003 0.00000 -0.00003 -0.00006 0.00011 132 4YY 0.00000 -0.00001 -0.00002 -0.00010 0.00010 133 4ZZ -0.00001 -0.00003 0.00002 -0.00011 0.00016 134 4XY 0.00000 0.00000 0.00002 0.00001 0.00005 135 4XZ 0.00003 0.00001 -0.00003 -0.00001 0.00003 136 4YZ 0.00001 0.00000 0.00001 0.00004 0.00003 137 17 H 1S 0.00009 0.00004 -0.00007 -0.00004 0.00018 138 2S -0.00031 -0.00032 0.00010 -0.00027 0.00023 139 18 H 1S -0.00002 -0.00002 0.00001 0.00005 -0.00013 140 2S -0.00012 -0.00003 0.00012 0.00049 -0.00082 141 19 O 1S -0.70068 0.70321 -0.00007 -0.00003 -0.00014 142 2S -0.01812 0.01827 0.00001 0.00009 -0.00035 143 2PX -0.00018 0.00018 0.00009 -0.00008 -0.00006 144 2PY 0.00064 -0.00061 0.00000 -0.00004 0.00003 145 2PZ 0.00008 -0.00006 -0.00006 0.00006 0.00002 146 3S -0.00945 0.00921 0.00114 0.00000 0.00351 147 3PX -0.00033 0.00018 -0.00053 0.00028 0.00045 148 3PY 0.00020 -0.00034 0.00039 0.00072 -0.00031 149 3PZ 0.00011 -0.00010 0.00039 -0.00014 0.00008 150 4XX 0.00582 -0.00581 -0.00010 -0.00015 -0.00038 151 4YY 0.00583 -0.00591 -0.00050 -0.00004 -0.00038 152 4ZZ 0.00582 -0.00581 -0.00002 -0.00008 -0.00034 153 4XY 0.00001 0.00000 -0.00016 0.00009 0.00017 154 4XZ -0.00001 0.00004 0.00020 0.00032 0.00037 155 4YZ -0.00001 0.00001 0.00020 -0.00004 -0.00013 156 20 O 1S 0.70320 0.70069 -0.00007 -0.00003 0.00014 157 2S 0.01818 0.01821 0.00001 0.00009 0.00035 158 2PX 0.00019 0.00018 0.00009 -0.00008 0.00006 159 2PY 0.00064 0.00061 0.00000 0.00004 0.00003 160 2PZ -0.00008 -0.00006 -0.00006 0.00006 -0.00002 161 3S 0.00948 0.00918 0.00114 0.00000 -0.00351 162 3PX 0.00033 0.00017 -0.00053 0.00028 -0.00045 163 3PY 0.00020 0.00034 -0.00039 -0.00072 -0.00031 164 3PZ -0.00011 -0.00010 0.00039 -0.00014 -0.00008 165 4XX -0.00584 -0.00579 -0.00010 -0.00015 0.00038 166 4YY -0.00585 -0.00589 -0.00050 -0.00004 0.00038 167 4ZZ -0.00584 -0.00579 -0.00002 -0.00008 0.00034 168 4XY 0.00001 0.00000 0.00016 -0.00009 0.00017 169 4XZ 0.00001 0.00004 0.00020 0.00032 -0.00037 170 4YZ -0.00001 -0.00001 -0.00020 0.00004 -0.00013 171 21 C 1S 0.00000 0.00002 0.99303 0.00001 0.00000 172 2S 0.00000 0.00035 0.04864 -0.00058 0.00000 173 2PX 0.00000 0.00016 0.00077 0.00008 0.00000 174 2PY -0.00042 0.00000 0.00000 0.00000 -0.00008 175 2PZ 0.00000 -0.00021 -0.00066 -0.00010 0.00000 176 3S -0.00001 -0.00286 -0.01350 0.00274 0.00000 177 3PX 0.00000 -0.00043 -0.00060 0.00136 0.00000 178 3PY 0.00114 0.00000 0.00000 0.00000 -0.00025 179 3PZ 0.00000 0.00058 -0.00001 -0.00099 0.00000 180 4XX 0.00000 0.00008 -0.00875 0.00007 0.00000 181 4YY 0.00000 0.00039 -0.00875 0.00003 0.00000 182 4ZZ 0.00000 0.00010 -0.00878 0.00002 0.00000 183 4XY -0.00013 0.00000 0.00000 0.00000 0.00002 184 4XZ 0.00000 -0.00009 -0.00006 -0.00025 0.00000 185 4YZ 0.00017 0.00000 0.00000 0.00000 -0.00003 186 22 H 1S 0.00000 0.00011 -0.00007 -0.00013 0.00000 187 2S 0.00000 0.00017 0.00276 -0.00005 0.00000 188 23 H 1S 0.00000 0.00018 -0.00018 -0.00007 0.00000 189 2S 0.00000 0.00013 0.00240 0.00015 0.00000 6 7 8 9 10 O O O O O Eigenvalues -- -10.18643 -10.18641 -10.18036 -10.18019 -10.16936 1 1 C 1S 0.00019 -0.00010 0.00002 -0.00002 0.00002 2 2S 0.00127 -0.00058 -0.00013 -0.00039 -0.00005 3 2PX 0.00020 -0.00010 -0.00004 -0.00004 -0.00015 4 2PY 0.00009 0.00004 0.00016 -0.00001 0.00000 5 2PZ 0.00006 -0.00003 -0.00015 -0.00021 0.00000 6 3S -0.00924 0.00246 0.00024 0.00368 -0.00014 7 3PX -0.00091 0.00052 -0.00033 -0.00111 0.00080 8 3PY 0.00198 0.00058 -0.00049 -0.00201 -0.00015 9 3PZ -0.00317 0.00066 0.00081 0.00242 -0.00038 10 4XX 0.00005 -0.00003 -0.00012 -0.00011 -0.00014 11 4YY 0.00025 -0.00016 -0.00008 -0.00005 -0.00006 12 4ZZ 0.00024 -0.00016 -0.00008 -0.00012 -0.00013 13 4XY 0.00005 0.00007 -0.00002 -0.00005 0.00006 14 4XZ -0.00003 0.00007 -0.00005 -0.00009 0.00008 15 4YZ 0.00004 0.00006 0.00006 -0.00004 -0.00006 16 2 C 1S -0.00019 -0.00010 0.00002 0.00002 0.00002 17 2S -0.00127 -0.00058 -0.00013 0.00039 -0.00005 18 2PX -0.00020 -0.00010 -0.00004 0.00004 -0.00015 19 2PY 0.00009 -0.00004 -0.00016 -0.00001 0.00000 20 2PZ -0.00006 -0.00003 -0.00015 0.00021 0.00000 21 3S 0.00924 0.00246 0.00024 -0.00368 -0.00014 22 3PX 0.00091 0.00052 -0.00033 0.00111 0.00080 23 3PY 0.00198 -0.00058 0.00049 -0.00201 0.00015 24 3PZ 0.00317 0.00066 0.00081 -0.00242 -0.00038 25 4XX -0.00005 -0.00003 -0.00012 0.00011 -0.00014 26 4YY -0.00025 -0.00016 -0.00008 0.00005 -0.00006 27 4ZZ -0.00024 -0.00016 -0.00008 0.00012 -0.00013 28 4XY 0.00005 -0.00007 0.00002 -0.00005 -0.00006 29 4XZ 0.00003 0.00007 -0.00005 0.00009 0.00008 30 4YZ 0.00004 -0.00006 -0.00006 -0.00004 0.00006 31 3 C 1S 0.70234 0.70178 -0.01398 0.01381 -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 0.00286 -0.00391 0.00250 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 0.00168 -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 0.01176 0.01209 -0.00068 0.00056 0.70175 47 2S 0.00009 0.00020 -0.00022 0.00022 0.03485 48 2PX 0.00000 0.00013 0.00005 -0.00008 -0.00024 49 2PY 0.00015 0.00006 -0.00007 -0.00004 -0.00014 50 2PZ -0.00013 -0.00016 -0.00011 0.00007 -0.00002 51 3S 0.01074 0.00325 0.00052 -0.00042 -0.00762 52 3PX -0.00402 -0.00118 -0.00034 0.00050 0.00092 53 3PY 0.00107 -0.00043 -0.00003 0.00006 0.00067 54 3PZ 0.00431 0.00109 0.00032 -0.00030 -0.00042 55 4XX -0.00022 -0.00023 -0.00007 0.00004 -0.00671 56 4YY -0.00030 -0.00021 -0.00002 0.00003 -0.00677 57 4ZZ -0.00025 -0.00026 -0.00004 0.00003 -0.00665 58 4XY -0.00010 -0.00013 0.00007 -0.00002 0.00000 59 4XZ 0.00004 0.00003 -0.00005 0.00004 -0.00011 60 4YZ 0.00009 0.00009 0.00000 -0.00005 0.00001 61 5 C 1S -0.01176 0.01210 -0.00068 -0.00056 0.70184 62 2S -0.00009 0.00020 -0.00022 -0.00022 0.03485 63 2PX 0.00000 0.00013 0.00005 0.00008 -0.00024 64 2PY 0.00015 -0.00006 0.00007 -0.00004 0.00014 65 2PZ 0.00013 -0.00016 -0.00011 -0.00007 -0.00002 66 3S -0.01074 0.00325 0.00052 0.00042 -0.00762 67 3PX 0.00402 -0.00118 -0.00034 -0.00050 0.00092 68 3PY 0.00107 0.00043 0.00003 0.00006 -0.00067 69 3PZ -0.00431 0.00110 0.00032 0.00030 -0.00042 70 4XX 0.00022 -0.00023 -0.00007 -0.00004 -0.00672 71 4YY 0.00030 -0.00021 -0.00002 -0.00003 -0.00677 72 4ZZ 0.00025 -0.00026 -0.00004 -0.00003 -0.00665 73 4XY -0.00010 0.00013 -0.00007 -0.00002 0.00000 74 4XZ -0.00004 0.00003 -0.00005 -0.00004 -0.00011 75 4YZ 0.00009 -0.00009 0.00000 -0.00005 -0.00001 76 6 C 1S -0.70209 0.70204 -0.01398 -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 0.00600 -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 0.00022 -0.00014 0.00008 0.00014 -0.00011 92 2S -0.00039 -0.00028 0.00057 0.00118 -0.00007 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 -0.00007 -0.00007 0.00001 0.00001 -0.00031 96 2S -0.00114 0.00030 0.00026 0.00024 0.00135 97 10 H 1S 0.00021 -0.00012 -0.00011 -0.00006 -0.00004 98 2S -0.00025 0.00169 -0.00002 -0.00006 0.00009 99 11 H 1S -0.00021 -0.00012 -0.00011 0.00006 -0.00004 100 2S 0.00025 0.00169 -0.00002 0.00006 0.00009 101 12 H 1S -0.00022 -0.00014 0.00008 -0.00014 -0.00011 102 2S 0.00039 -0.00028 0.00057 -0.00118 -0.00007 103 13 C 1S -0.01367 0.01383 0.70194 0.70227 0.00037 104 2S -0.00034 0.00050 0.03530 0.03603 -0.00015 105 2PX 0.00010 -0.00004 -0.00001 -0.00002 -0.00010 106 2PY 0.00007 -0.00001 0.00003 -0.00003 0.00004 107 2PZ 0.00022 0.00005 -0.00014 -0.00020 0.00004 108 3S -0.00755 0.00278 -0.01068 -0.01973 0.00034 109 3PX -0.00213 0.00038 0.00002 0.00000 0.00037 110 3PY 0.00037 0.00041 -0.00121 0.00268 0.00002 111 3PZ 0.00303 -0.00128 0.00086 0.00192 -0.00019 112 4XX 0.00016 -0.00023 -0.00627 -0.00601 -0.00007 113 4YY 0.00021 -0.00025 -0.00664 -0.00597 -0.00005 114 4ZZ 0.00019 -0.00033 -0.00637 -0.00611 0.00000 115 4XY 0.00005 -0.00003 0.00000 0.00000 0.00001 116 4XZ -0.00007 0.00006 0.00003 0.00004 -0.00004 117 4YZ -0.00015 0.00017 0.00006 -0.00005 -0.00002 118 14 H 1S 0.00039 -0.00012 -0.00009 0.00020 -0.00005 119 2S 0.00013 0.00014 0.00178 0.00177 -0.00014 120 15 H 1S 0.00013 -0.00010 -0.00010 0.00031 0.00001 121 2S -0.00060 0.00010 0.00220 0.00211 0.00030 122 16 C 1S 0.01367 0.01383 0.70202 -0.70219 0.00037 123 2S 0.00034 0.00050 0.03530 -0.03602 -0.00015 124 2PX -0.00010 -0.00004 -0.00001 0.00002 -0.00010 125 2PY 0.00007 0.00001 -0.00003 -0.00003 -0.00004 126 2PZ -0.00022 0.00005 -0.00014 0.00020 0.00004 127 3S 0.00755 0.00277 -0.01068 0.01972 0.00034 128 3PX 0.00213 0.00038 0.00002 0.00000 0.00037 129 3PY 0.00037 -0.00041 0.00121 0.00268 -0.00002 130 3PZ -0.00303 -0.00127 0.00086 -0.00192 -0.00019 131 4XX -0.00016 -0.00023 -0.00628 0.00601 -0.00007 132 4YY -0.00021 -0.00025 -0.00664 0.00597 -0.00005 133 4ZZ -0.00019 -0.00033 -0.00637 0.00611 0.00000 134 4XY 0.00005 0.00003 0.00000 0.00000 -0.00001 135 4XZ 0.00007 0.00006 0.00003 -0.00004 -0.00004 136 4YZ -0.00015 -0.00017 -0.00006 -0.00005 0.00002 137 17 H 1S -0.00013 -0.00010 -0.00010 -0.00031 0.00001 138 2S 0.00060 0.00010 0.00220 -0.00211 0.00030 139 18 H 1S -0.00039 -0.00012 -0.00009 -0.00020 -0.00005 140 2S -0.00013 0.00014 0.00178 -0.00177 -0.00014 141 19 O 1S -0.00010 0.00003 0.00006 0.00003 -0.00004 142 2S -0.00051 0.00014 0.00028 0.00016 -0.00019 143 2PX -0.00007 0.00004 0.00001 -0.00002 0.00000 144 2PY 0.00003 0.00000 -0.00002 0.00003 0.00001 145 2PZ -0.00002 -0.00002 0.00002 -0.00001 0.00003 146 3S 0.00308 -0.00075 -0.00149 -0.00146 0.00102 147 3PX 0.00130 -0.00048 -0.00023 -0.00053 0.00029 148 3PY -0.00048 -0.00009 0.00044 0.00020 -0.00015 149 3PZ -0.00021 0.00026 -0.00015 0.00022 -0.00032 150 4XX -0.00012 0.00002 0.00016 -0.00001 -0.00008 151 4YY -0.00031 0.00010 0.00011 0.00007 -0.00011 152 4ZZ -0.00036 0.00013 0.00019 0.00006 -0.00009 153 4XY -0.00006 0.00001 0.00004 0.00004 -0.00004 154 4XZ -0.00002 0.00002 0.00000 -0.00002 -0.00005 155 4YZ 0.00000 0.00001 0.00001 -0.00004 0.00004 156 20 O 1S 0.00010 0.00003 0.00006 -0.00003 -0.00004 157 2S 0.00051 0.00014 0.00028 -0.00016 -0.00019 158 2PX 0.00007 0.00004 0.00001 0.00002 0.00000 159 2PY 0.00003 0.00000 0.00002 0.00003 -0.00001 160 2PZ 0.00002 -0.00002 0.00002 0.00001 0.00003 161 3S -0.00308 -0.00074 -0.00149 0.00146 0.00102 162 3PX -0.00130 -0.00048 -0.00023 0.00053 0.00029 163 3PY -0.00048 0.00009 -0.00044 0.00020 0.00015 164 3PZ 0.00022 0.00026 -0.00015 -0.00022 -0.00032 165 4XX 0.00012 0.00002 0.00016 0.00001 -0.00008 166 4YY 0.00031 0.00010 0.00011 -0.00007 -0.00011 167 4ZZ 0.00036 0.00013 0.00019 -0.00006 -0.00009 168 4XY -0.00006 -0.00001 -0.00004 0.00004 0.00004 169 4XZ 0.00002 0.00002 0.00000 0.00002 -0.00005 170 4YZ 0.00000 -0.00001 -0.00001 -0.00004 -0.00004 171 21 C 1S 0.00000 0.00002 0.00000 0.00000 -0.00001 172 2S 0.00000 0.00018 -0.00003 0.00000 -0.00008 173 2PX 0.00000 0.00011 -0.00002 0.00000 0.00000 174 2PY -0.00012 0.00000 0.00000 0.00002 0.00000 175 2PZ 0.00000 0.00006 -0.00010 0.00000 0.00003 176 3S 0.00000 -0.00087 0.00104 0.00000 0.00030 177 3PX 0.00000 -0.00065 0.00041 0.00000 0.00000 178 3PY 0.00024 0.00000 0.00000 -0.00026 0.00000 179 3PZ 0.00000 -0.00019 0.00032 0.00000 -0.00006 180 4XX 0.00000 0.00007 -0.00007 0.00000 -0.00002 181 4YY 0.00000 0.00001 0.00003 0.00000 0.00001 182 4ZZ 0.00000 0.00006 -0.00001 0.00000 -0.00004 183 4XY -0.00005 0.00000 0.00000 -0.00003 0.00000 184 4XZ 0.00000 0.00003 -0.00001 0.00000 0.00000 185 4YZ -0.00004 0.00000 0.00000 0.00002 0.00000 186 22 H 1S 0.00000 0.00009 -0.00004 0.00000 0.00001 187 2S 0.00000 0.00032 -0.00076 0.00000 -0.00006 188 23 H 1S 0.00000 -0.00002 -0.00002 0.00000 -0.00001 189 2S 0.00000 -0.00026 0.00013 0.00000 -0.00005 11 12 13 14 15 O O O O O Eigenvalues -- -10.16886 -1.10713 -1.01317 -0.82908 -0.76590 1 1 C 1S -0.00001 -0.05622 -0.04408 -0.02571 -0.12240 2 2S -0.00003 0.10427 0.08664 0.05207 0.24580 3 2PX 0.00007 -0.05979 -0.06053 0.01488 -0.02204 4 2PY 0.00003 -0.00911 0.04361 -0.01419 -0.06651 5 2PZ -0.00003 0.04382 0.04454 0.00150 -0.00993 6 3S 0.00084 0.03496 -0.00910 0.03217 0.17211 7 3PX -0.00159 0.00366 0.01821 0.00320 0.00226 8 3PY -0.00011 0.00021 0.01692 -0.00195 -0.01028 9 3PZ 0.00139 -0.00408 -0.02569 -0.00107 -0.00591 10 4XX 0.00012 0.00382 0.00644 -0.00140 -0.00970 11 4YY 0.00005 -0.00146 -0.00861 0.00137 0.00604 12 4ZZ 0.00006 -0.00073 0.00180 -0.00082 -0.00696 13 4XY 0.00002 -0.00226 -0.00613 -0.00011 -0.00065 14 4XZ -0.00007 -0.01131 -0.01155 0.00055 -0.00474 15 4YZ 0.00005 0.00084 0.00358 -0.00100 -0.00231 16 2 C 1S 0.00001 -0.05622 0.04408 -0.02571 -0.12240 17 2S 0.00003 0.10427 -0.08664 0.05207 0.24580 18 2PX -0.00007 -0.05979 0.06053 0.01488 -0.02204 19 2PY 0.00003 0.00911 0.04361 0.01419 0.06651 20 2PZ 0.00003 0.04382 -0.04454 0.00150 -0.00993 21 3S -0.00084 0.03496 0.00910 0.03217 0.17211 22 3PX 0.00159 0.00366 -0.01821 0.00320 0.00226 23 3PY -0.00011 -0.00021 0.01692 0.00195 0.01028 24 3PZ -0.00139 -0.00408 0.02569 -0.00107 -0.00591 25 4XX -0.00012 0.00382 -0.00644 -0.00140 -0.00970 26 4YY -0.00005 -0.00146 0.00861 0.00137 0.00604 27 4ZZ -0.00006 -0.00073 -0.00180 -0.00082 -0.00696 28 4XY 0.00002 0.00226 -0.00613 0.00011 0.00065 29 4XZ 0.00007 -0.01131 0.01155 0.00055 -0.00474 30 4YZ 0.00005 -0.00084 0.00358 0.00100 0.00231 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 -0.01435 34 2PY -0.00010 0.00063 0.00058 0.04654 -0.00801 35 2PZ 0.00002 -0.00023 0.00070 0.00318 -0.01051 36 3S 0.00446 0.00685 -0.02164 0.13187 -0.01329 37 3PX 0.00093 -0.00007 0.00423 0.00050 -0.00160 38 3PY 0.00161 0.00220 -0.01160 0.01393 0.00134 39 3PZ -0.00061 -0.00034 -0.00365 0.00078 -0.00607 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 0.70213 -0.00034 -0.00002 -0.09538 0.01854 47 2S 0.03558 0.00232 -0.00271 0.18220 -0.03476 48 2PX -0.00026 -0.00108 0.00075 -0.03994 0.00118 49 2PY 0.00029 0.00042 0.00050 0.02998 -0.00676 50 2PZ 0.00005 0.00015 -0.00009 0.03308 -0.00784 51 3S -0.01698 -0.00444 0.02195 0.11187 -0.03009 52 3PX 0.00240 0.00292 -0.00854 -0.00063 0.00202 53 3PY -0.00338 -0.00016 0.01026 0.00183 -0.00013 54 3PZ -0.00172 -0.00115 0.00564 -0.00174 -0.00222 55 4XX -0.00646 0.00025 -0.00018 -0.00440 0.00179 56 4YY -0.00611 0.00030 -0.00009 0.00298 -0.00056 57 4ZZ -0.00637 0.00041 -0.00045 -0.00337 0.00066 58 4XY 0.00012 -0.00008 -0.00026 0.00028 -0.00023 59 4XZ -0.00014 0.00007 -0.00015 -0.00711 0.00167 60 4YZ -0.00004 0.00005 0.00006 0.00046 -0.00014 61 5 C 1S -0.70204 -0.00034 0.00002 -0.09538 0.01854 62 2S -0.03558 0.00232 0.00271 0.18220 -0.03476 63 2PX 0.00026 -0.00108 -0.00075 -0.03994 0.00118 64 2PY 0.00029 -0.00042 0.00050 -0.02998 0.00676 65 2PZ -0.00005 0.00015 0.00009 0.03308 -0.00784 66 3S 0.01698 -0.00444 -0.02195 0.11187 -0.03009 67 3PX -0.00240 0.00292 0.00854 -0.00063 0.00202 68 3PY -0.00338 0.00016 0.01026 -0.00183 0.00013 69 3PZ 0.00172 -0.00115 -0.00564 -0.00174 -0.00222 70 4XX 0.00646 0.00025 0.00018 -0.00440 0.00179 71 4YY 0.00611 0.00030 0.00009 0.00298 -0.00056 72 4ZZ 0.00637 0.00041 0.00045 -0.00337 0.00066 73 4XY 0.00012 0.00008 -0.00026 -0.00028 0.00023 74 4XZ 0.00014 0.00007 0.00015 -0.00711 0.00167 75 4YZ -0.00004 -0.00005 0.00006 -0.00046 0.00014 76 6 C 1S 0.01205 -0.00188 -0.00246 -0.09139 0.01322 77 2S 0.00074 0.00225 0.00017 0.17062 -0.02627 78 2PX 0.00009 -0.00154 -0.00109 0.02432 -0.01435 79 2PY -0.00010 -0.00063 0.00058 -0.04654 0.00801 80 2PZ -0.00002 -0.00023 -0.00070 0.00318 -0.01051 81 3S -0.00446 0.00685 0.02164 0.13187 -0.01329 82 3PX -0.00093 -0.00007 -0.00423 0.00050 -0.00160 83 3PY 0.00161 -0.00220 -0.01160 -0.01393 -0.00134 84 3PZ 0.00061 -0.00034 0.00365 0.00078 -0.00607 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 0.00023 0.01252 0.01447 0.01509 0.06814 92 2S 0.00031 -0.00346 -0.00848 0.00255 0.01258 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 0.00025 0.00012 -0.00004 0.03708 -0.00830 96 2S -0.00075 -0.00043 -0.00320 0.00181 -0.00145 97 10 H 1S -0.00001 0.00044 0.00093 0.03736 -0.00455 98 2S -0.00012 0.00104 0.00364 0.00635 0.00024 99 11 H 1S 0.00001 0.00044 -0.00093 0.03736 -0.00455 100 2S 0.00012 0.00104 -0.00364 0.00635 0.00024 101 12 H 1S -0.00023 0.01252 -0.01447 0.01509 0.06814 102 2S -0.00031 -0.00346 0.00848 0.00255 0.01258 103 13 C 1S -0.00026 -0.00166 -0.00115 -0.08158 0.02466 104 2S 0.00014 0.00239 0.00198 0.15286 -0.04711 105 2PX 0.00007 -0.00108 -0.00111 0.01408 -0.00546 106 2PY 0.00003 0.00017 0.00083 -0.01819 0.00662 107 2PZ -0.00009 -0.00087 -0.00018 -0.03442 0.00014 108 3S 0.00017 -0.00019 -0.00794 0.11365 -0.03489 109 3PX -0.00035 -0.00161 -0.00280 0.00242 -0.00123 110 3PY 0.00006 -0.00162 -0.00171 -0.00282 0.00327 111 3PZ 0.00004 -0.00105 0.00241 -0.00208 0.00027 112 4XX 0.00005 0.00007 0.00018 -0.00224 0.00040 113 4YY 0.00004 -0.00016 -0.00028 0.00150 -0.00058 114 4ZZ 0.00001 -0.00021 -0.00035 0.00107 0.00072 115 4XY 0.00004 -0.00001 0.00000 0.00006 0.00006 116 4XZ 0.00002 0.00030 0.00037 -0.00194 0.00065 117 4YZ -0.00001 -0.00008 -0.00004 -0.00015 -0.00012 118 14 H 1S 0.00005 0.00050 0.00061 0.03922 -0.01538 119 2S 0.00007 0.00121 0.00136 0.00320 -0.00367 120 15 H 1S -0.00002 0.00209 0.00253 0.03706 -0.01329 121 2S -0.00032 0.00186 0.00187 0.00201 -0.00618 122 16 C 1S 0.00026 -0.00166 0.00115 -0.08158 0.02466 123 2S -0.00014 0.00239 -0.00198 0.15286 -0.04711 124 2PX -0.00007 -0.00108 0.00111 0.01408 -0.00546 125 2PY 0.00003 -0.00017 0.00083 0.01819 -0.00662 126 2PZ 0.00009 -0.00087 0.00018 -0.03442 0.00014 127 3S -0.00017 -0.00019 0.00794 0.11365 -0.03489 128 3PX 0.00035 -0.00161 0.00280 0.00242 -0.00123 129 3PY 0.00006 0.00162 -0.00171 0.00282 -0.00327 130 3PZ -0.00004 -0.00105 -0.00241 -0.00208 0.00027 131 4XX -0.00005 0.00007 -0.00018 -0.00224 0.00040 132 4YY -0.00004 -0.00016 0.00028 0.00150 -0.00058 133 4ZZ -0.00001 -0.00021 0.00035 0.00107 0.00072 134 4XY 0.00004 0.00001 0.00000 -0.00006 -0.00006 135 4XZ -0.00002 0.00030 -0.00037 -0.00194 0.00065 136 4YZ -0.00001 0.00008 -0.00004 0.00015 0.00012 137 17 H 1S 0.00002 0.00209 -0.00253 0.03706 -0.01329 138 2S 0.00032 0.00186 -0.00187 0.00201 -0.00618 139 18 H 1S -0.00005 0.00050 -0.00061 0.03922 -0.01538 140 2S -0.00007 0.00121 -0.00136 0.00320 -0.00367 141 19 O 1S 0.00006 -0.13125 -0.15242 0.00883 0.01419 142 2S 0.00030 0.28412 0.33479 -0.02049 -0.03361 143 2PX 0.00002 0.02240 0.03038 0.02009 0.12267 144 2PY 0.00000 -0.08689 -0.06083 0.00854 0.03559 145 2PZ -0.00003 -0.00836 -0.01428 -0.01174 -0.10840 146 3S -0.00183 0.28834 0.35800 -0.02274 -0.03741 147 3PX -0.00052 0.00923 0.02341 0.00987 0.05543 148 3PY 0.00020 -0.05298 -0.03672 0.00479 0.01554 149 3PZ 0.00040 -0.00215 -0.01099 -0.00502 -0.04935 150 4XX 0.00012 -0.00171 0.00000 0.00129 0.00396 151 4YY 0.00019 0.00722 -0.00050 -0.00136 -0.00582 152 4ZZ 0.00016 -0.00460 -0.00387 0.00018 0.00101 153 4XY 0.00004 -0.00045 -0.00197 -0.00195 -0.01123 154 4XZ 0.00005 -0.00716 -0.00772 -0.00022 -0.00388 155 4YZ -0.00003 -0.00191 -0.00020 0.00132 0.01023 156 20 O 1S -0.00006 -0.13125 0.15242 0.00883 0.01419 157 2S -0.00030 0.28412 -0.33479 -0.02049 -0.03361 158 2PX -0.00002 0.02240 -0.03038 0.02009 0.12267 159 2PY 0.00000 0.08689 -0.06083 -0.00854 -0.03559 160 2PZ 0.00003 -0.00836 0.01428 -0.01174 -0.10840 161 3S 0.00183 0.28834 -0.35800 -0.02274 -0.03741 162 3PX 0.00052 0.00923 -0.02341 0.00987 0.05543 163 3PY 0.00020 0.05298 -0.03672 -0.00479 -0.01554 164 3PZ -0.00040 -0.00215 0.01099 -0.00502 -0.04935 165 4XX -0.00012 -0.00171 0.00000 0.00129 0.00396 166 4YY -0.00019 0.00722 0.00050 -0.00136 -0.00582 167 4ZZ -0.00016 -0.00460 0.00387 0.00018 0.00101 168 4XY 0.00004 0.00045 -0.00197 0.00195 0.01123 169 4XZ -0.00005 -0.00716 0.00772 -0.00022 -0.00388 170 4YZ -0.00003 0.00191 -0.00020 -0.00132 -0.01023 171 21 C 1S 0.00000 -0.08318 0.00000 0.01835 0.11737 172 2S 0.00000 0.16013 0.00000 -0.03864 -0.24499 173 2PX 0.00000 0.06130 0.00000 -0.00172 0.01011 174 2PY 0.00002 0.00000 0.12745 0.00000 0.00000 175 2PZ 0.00000 -0.05989 0.00000 0.00671 -0.00419 176 3S 0.00000 0.02856 0.00000 -0.02225 -0.17825 177 3PX 0.00000 -0.00867 0.00000 0.00494 0.00892 178 3PY -0.00011 0.00000 0.00620 0.00000 0.00000 179 3PZ 0.00000 0.01225 0.00000 -0.00136 -0.00931 180 4XX 0.00000 -0.00115 0.00000 0.00107 0.00503 181 4YY 0.00000 0.00726 0.00000 -0.00128 -0.00324 182 4ZZ 0.00000 -0.00225 0.00000 0.00059 0.00458 183 4XY 0.00000 0.00000 0.01755 0.00000 0.00000 184 4XZ 0.00000 -0.00959 0.00000 0.00019 -0.00357 185 4YZ 0.00001 0.00000 -0.01776 0.00000 0.00000 186 22 H 1S 0.00000 0.02534 0.00000 -0.00826 -0.07518 187 2S 0.00000 -0.00229 0.00000 0.00195 -0.01514 188 23 H 1S 0.00000 0.02455 0.00000 -0.01042 -0.07732 189 2S 0.00000 0.00138 0.00000 0.00001 -0.01628 16 17 18 19 20 O O O O O Eigenvalues -- -0.73369 -0.72867 -0.64377 -0.61451 -0.60398 1 1 C 1S -0.00474 0.01207 -0.07241 0.09540 -0.02254 2 2S 0.00927 -0.02324 0.14729 -0.19676 0.04508 3 2PX -0.00303 -0.01227 0.08529 0.03098 -0.01199 4 2PY -0.00303 -0.01516 -0.15593 -0.13078 0.03067 5 2PZ 0.00727 -0.00044 -0.08061 0.01989 0.00233 6 3S 0.00866 -0.02695 0.12859 -0.18872 0.05492 7 3PX -0.00050 -0.00446 0.02246 -0.00191 -0.00808 8 3PY 0.00014 0.00038 -0.02896 -0.02718 0.00270 9 3PZ 0.00264 -0.00237 -0.01969 0.01220 0.00726 10 4XX -0.00120 0.00037 -0.01419 0.00289 -0.00136 11 4YY 0.00015 0.00102 0.00714 0.00733 -0.00180 12 4ZZ 0.00048 0.00010 -0.00463 -0.00003 0.00050 13 4XY -0.00019 -0.00103 0.00809 0.00478 -0.00178 14 4XZ 0.00033 -0.00044 0.00622 0.00762 -0.00190 15 4YZ -0.00006 0.00039 -0.00772 0.00423 -0.00014 16 2 C 1S -0.00474 -0.01207 -0.07241 -0.09540 0.02254 17 2S 0.00927 0.02324 0.14729 0.19676 -0.04508 18 2PX -0.00303 0.01227 0.08529 -0.03098 0.01199 19 2PY 0.00303 -0.01516 0.15593 -0.13078 0.03067 20 2PZ 0.00727 0.00044 -0.08061 -0.01989 -0.00233 21 3S 0.00866 0.02695 0.12859 0.18872 -0.05492 22 3PX -0.00050 0.00446 0.02246 0.00191 0.00808 23 3PY -0.00014 0.00038 0.02896 -0.02718 0.00270 24 3PZ 0.00264 0.00237 -0.01969 -0.01220 -0.00726 25 4XX -0.00120 -0.00037 -0.01419 -0.00289 0.00136 26 4YY 0.00015 -0.00102 0.00714 -0.00733 0.00180 27 4ZZ 0.00048 -0.00010 -0.00463 0.00003 -0.00050 28 4XY 0.00019 -0.00103 -0.00809 0.00478 -0.00178 29 4XZ 0.00033 0.00044 0.00622 -0.00762 0.00190 30 4YZ 0.00006 0.00039 0.00772 0.00423 -0.00014 31 3 C 1S 0.00745 -0.12444 -0.00049 0.00481 -0.02264 32 2S -0.01414 0.24080 0.00019 -0.01119 0.04691 33 2PX -0.05827 0.02711 -0.01393 -0.00121 0.09491 34 2PY -0.01149 0.00554 0.00031 -0.00307 0.00528 35 2PZ 0.09022 0.00673 -0.00710 -0.04284 -0.13780 36 3S -0.01427 0.21043 0.00801 -0.00040 0.04357 37 3PX -0.00996 0.00285 0.00009 -0.00201 0.02376 38 3PY -0.00625 0.00250 0.00511 0.00312 -0.00098 39 3PZ 0.01542 -0.00011 -0.00379 -0.01693 -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 -0.00214 -0.00682 43 4XY -0.00503 0.00333 -0.00124 0.00048 0.00396 44 4XZ 0.00164 -0.00666 0.00099 0.00147 -0.00268 45 4YZ 0.00739 0.00133 -0.00059 -0.00148 -0.00523 46 4 C 1S 0.10571 -0.06442 0.01275 -0.00730 -0.08066 47 2S -0.20538 0.12809 -0.02555 0.01535 0.16378 48 2PX 0.00705 -0.04458 -0.01059 -0.00458 -0.02124 49 2PY -0.05186 -0.07806 -0.00821 -0.00965 -0.10415 50 2PZ 0.01101 0.03743 -0.00021 -0.00673 -0.00048 51 3S -0.15236 0.07288 -0.02505 0.00483 0.12774 52 3PX -0.00248 0.00658 -0.00269 0.00316 0.00806 53 3PY -0.00493 -0.02228 -0.00068 -0.00247 -0.03748 54 3PZ 0.00882 -0.01008 -0.00274 -0.00497 -0.01708 55 4XX 0.00670 0.00004 0.00186 0.00029 -0.00146 56 4YY -0.00490 -0.00641 -0.00089 -0.00069 -0.00748 57 4ZZ 0.00601 0.00096 0.00004 -0.00053 -0.00056 58 4XY 0.00085 0.00408 -0.00012 0.00034 0.00109 59 4XZ 0.00472 -0.00713 0.00107 -0.00002 -0.00613 60 4YZ -0.00176 -0.00269 -0.00031 0.00080 0.00192 61 5 C 1S 0.10571 0.06442 0.01275 0.00730 0.08066 62 2S -0.20538 -0.12809 -0.02555 -0.01535 -0.16377 63 2PX 0.00705 0.04458 -0.01059 0.00458 0.02124 64 2PY 0.05186 -0.07806 0.00821 -0.00965 -0.10415 65 2PZ 0.01101 -0.03743 -0.00021 0.00673 0.00048 66 3S -0.15236 -0.07288 -0.02505 -0.00483 -0.12774 67 3PX -0.00248 -0.00658 -0.00269 -0.00316 -0.00806 68 3PY 0.00493 -0.02228 0.00068 -0.00247 -0.03748 69 3PZ 0.00882 0.01008 -0.00274 0.00497 0.01708 70 4XX 0.00670 -0.00004 0.00186 -0.00029 0.00146 71 4YY -0.00490 0.00641 -0.00089 0.00069 0.00748 72 4ZZ 0.00601 -0.00096 0.00004 0.00053 0.00056 73 4XY -0.00085 0.00408 0.00012 0.00034 0.00109 74 4XZ 0.00472 0.00713 0.00107 0.00002 0.00613 75 4YZ 0.00176 -0.00269 0.00031 0.00080 0.00192 76 6 C 1S 0.00745 0.12444 -0.00049 -0.00481 0.02265 77 2S -0.01414 -0.24080 0.00019 0.01119 -0.04691 78 2PX -0.05827 -0.02711 -0.01393 0.00121 -0.09491 79 2PY 0.01149 0.00554 -0.00031 -0.00307 0.00528 80 2PZ 0.09022 -0.00673 -0.00710 0.04284 0.13780 81 3S -0.01427 -0.21043 0.00801 0.00040 -0.04357 82 3PX -0.00996 -0.00285 0.00009 0.00201 -0.02376 83 3PY 0.00625 0.00250 -0.00511 0.00312 -0.00098 84 3PZ 0.01542 0.00011 -0.00379 0.01693 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 0.00214 0.00682 88 4XY 0.00503 0.00333 0.00124 0.00048 0.00396 89 4XZ 0.00164 0.00666 0.00099 -0.00147 0.00268 90 4YZ -0.00739 0.00133 0.00059 -0.00148 -0.00523 91 7 H 1S -0.00059 -0.01420 0.05360 -0.11567 0.02289 92 2S -0.00151 -0.00614 0.01636 -0.04773 0.01078 93 8 H 1S -0.06123 0.03836 -0.01006 0.00878 0.08124 94 2S -0.01269 0.00262 -0.00390 0.00345 0.02735 95 9 H 1S -0.06123 -0.03836 -0.01006 -0.00878 -0.08124 96 2S -0.01269 -0.00262 -0.00390 -0.00345 -0.02735 97 10 H 1S -0.00149 -0.07839 0.00120 0.00006 -0.01615 98 2S -0.00162 -0.01907 0.00015 -0.00331 -0.00472 99 11 H 1S -0.00149 0.07839 0.00120 -0.00006 0.01615 100 2S -0.00162 0.01907 0.00015 0.00331 0.00472 101 12 H 1S -0.00059 0.01420 0.05360 0.11567 -0.02289 102 2S -0.00151 0.00614 0.01636 0.04773 -0.01078 103 13 C 1S -0.11130 0.06711 0.00648 -0.03436 -0.09317 104 2S 0.21419 -0.13010 -0.01232 0.06901 0.18928 105 2PX -0.00843 -0.01551 -0.00762 0.00345 -0.01268 106 2PY -0.03641 -0.06529 0.00104 0.03480 0.09506 107 2PZ 0.01722 0.04148 -0.00619 0.00551 0.02003 108 3S 0.18756 -0.10778 -0.01226 0.06577 0.17952 109 3PX -0.00518 -0.00525 -0.00450 -0.00040 -0.00931 110 3PY -0.00547 -0.01784 -0.00001 0.00862 0.03889 111 3PZ 0.00639 0.00270 -0.00014 0.00280 0.01637 112 4XX -0.00074 -0.00076 0.00011 0.00151 0.00477 113 4YY 0.00374 0.00741 -0.00015 -0.00369 -0.01016 114 4ZZ -0.00473 -0.00513 0.00047 0.00010 -0.00048 115 4XY -0.00066 -0.00119 0.00021 0.00017 -0.00150 116 4XZ 0.00196 0.00236 0.00017 0.00002 0.00246 117 4YZ 0.00143 0.00345 0.00009 0.00087 0.00254 118 14 H 1S 0.06842 -0.04374 -0.00806 0.03309 0.08666 119 2S 0.01612 -0.00723 -0.00284 0.01303 0.03159 120 15 H 1S 0.07058 -0.04275 -0.00106 0.03081 0.09333 121 2S 0.01291 -0.00874 -0.00181 0.01475 0.03178 122 16 C 1S -0.11130 -0.06711 0.00648 0.03436 0.09317 123 2S 0.21419 0.13010 -0.01232 -0.06901 -0.18928 124 2PX -0.00843 0.01551 -0.00762 -0.00345 0.01268 125 2PY 0.03641 -0.06529 -0.00104 0.03480 0.09506 126 2PZ 0.01722 -0.04148 -0.00619 -0.00551 -0.02003 127 3S 0.18756 0.10778 -0.01226 -0.06577 -0.17952 128 3PX -0.00518 0.00525 -0.00450 0.00040 0.00931 129 3PY 0.00547 -0.01784 0.00001 0.00862 0.03889 130 3PZ 0.00639 -0.00270 -0.00014 -0.00280 -0.01637 131 4XX -0.00074 0.00076 0.00011 -0.00151 -0.00477 132 4YY 0.00374 -0.00741 -0.00015 0.00369 0.01016 133 4ZZ -0.00473 0.00513 0.00047 -0.00010 0.00048 134 4XY 0.00066 -0.00119 -0.00021 0.00017 -0.00150 135 4XZ 0.00196 -0.00236 0.00017 -0.00002 -0.00246 136 4YZ -0.00143 0.00345 -0.00009 0.00087 0.00254 137 17 H 1S 0.07058 0.04275 -0.00106 -0.03081 -0.09333 138 2S 0.01291 0.00874 -0.00181 -0.01475 -0.03178 139 18 H 1S 0.06842 0.04374 -0.00806 -0.03309 -0.08666 140 2S 0.01612 0.00723 -0.00284 -0.01303 -0.03159 141 19 O 1S 0.00234 -0.00715 0.07106 -0.02548 0.00813 142 2S -0.00546 0.01658 -0.16573 0.05881 -0.01853 143 2PX 0.01378 -0.01549 -0.07319 -0.18529 0.05837 144 2PY 0.00428 -0.00677 -0.08874 -0.05652 0.01761 145 2PZ -0.00318 0.00676 0.06648 0.16874 -0.04089 146 3S -0.00822 0.02076 -0.22091 0.08046 -0.03087 147 3PX 0.00676 -0.00714 -0.02851 -0.08560 0.02721 148 3PY 0.00336 -0.00377 -0.04834 -0.02425 0.00915 149 3PZ -0.00013 0.00252 0.02630 0.07954 -0.01600 150 4XX 0.00056 -0.00102 -0.00023 -0.00599 0.00168 151 4YY -0.00086 0.00046 0.01009 0.00336 -0.00116 152 4ZZ 0.00012 -0.00029 0.00085 -0.00284 0.00068 153 4XY -0.00114 0.00052 0.00147 0.00716 -0.00216 154 4XZ 0.00032 0.00003 -0.00109 0.00506 -0.00057 155 4YZ 0.00038 -0.00035 -0.00257 -0.00696 0.00168 156 20 O 1S 0.00234 0.00715 0.07106 0.02548 -0.00813 157 2S -0.00546 -0.01658 -0.16573 -0.05881 0.01853 158 2PX 0.01378 0.01549 -0.07319 0.18529 -0.05837 159 2PY -0.00428 -0.00677 0.08874 -0.05652 0.01761 160 2PZ -0.00318 -0.00676 0.06648 -0.16874 0.04089 161 3S -0.00822 -0.02076 -0.22091 -0.08046 0.03087 162 3PX 0.00676 0.00714 -0.02851 0.08560 -0.02721 163 3PY -0.00336 -0.00377 0.04834 -0.02425 0.00915 164 3PZ -0.00013 -0.00252 0.02630 -0.07954 0.01600 165 4XX 0.00056 0.00102 -0.00023 0.00599 -0.00168 166 4YY -0.00086 -0.00046 0.01009 -0.00336 0.00116 167 4ZZ 0.00012 0.00029 0.00085 0.00284 -0.00068 168 4XY 0.00114 0.00052 -0.00147 0.00716 -0.00216 169 4XZ 0.00032 -0.00003 -0.00109 -0.00506 0.00057 170 4YZ -0.00038 -0.00035 0.00257 -0.00696 0.00168 171 21 C 1S 0.00913 0.00000 -0.12226 0.00000 0.00000 172 2S -0.01981 0.00000 0.25810 0.00000 0.00000 173 2PX 0.00441 0.00000 -0.06486 0.00000 0.00000 174 2PY 0.00000 0.01881 0.00000 0.21586 -0.06319 175 2PZ 0.00606 0.00000 0.06774 0.00000 0.00000 176 3S -0.01504 0.00000 0.24384 0.00000 0.00000 177 3PX 0.00668 0.00000 -0.02135 0.00000 0.00000 178 3PY 0.00000 0.00189 0.00000 0.05677 -0.01523 179 3PZ -0.00182 0.00000 0.02826 0.00000 0.00000 180 4XX 0.00069 0.00000 0.00235 0.00000 0.00000 181 4YY -0.00042 0.00000 -0.01362 0.00000 0.00000 182 4ZZ 0.00029 0.00000 0.00147 0.00000 0.00000 183 4XY 0.00000 0.00129 0.00000 0.01288 -0.00324 184 4XZ 0.00007 0.00000 0.00553 0.00000 0.00000 185 4YZ 0.00000 -0.00186 0.00000 -0.01404 0.00448 186 22 H 1S -0.00192 0.00000 0.11588 0.00000 0.00000 187 2S 0.00653 0.00000 0.03556 0.00000 0.00000 188 23 H 1S -0.00772 0.00000 0.11586 0.00000 0.00000 189 2S 0.00021 0.00000 0.03819 0.00000 0.00000 21 22 23 24 25 O O O O O Eigenvalues -- -0.58467 -0.53236 -0.51151 -0.49417 -0.47020 1 1 C 1S 0.00937 0.01087 -0.00408 -0.00036 -0.00588 2 2S -0.02083 -0.02182 0.00864 0.00108 0.01077 3 2PX 0.02355 -0.04636 0.05102 0.03426 0.05261 4 2PY 0.04754 -0.19536 0.06017 0.03875 0.01148 5 2PZ 0.00372 0.15378 0.06746 0.01083 -0.03787 6 3S -0.00965 -0.04433 0.01531 0.00643 0.01814 7 3PX 0.00747 -0.00762 0.02766 0.01433 0.01824 8 3PY 0.01395 -0.06106 0.01981 0.01142 0.00885 9 3PZ 0.00437 0.05090 0.03234 0.00446 -0.00578 10 4XX 0.00152 0.00174 -0.00692 -0.00151 -0.00273 11 4YY -0.00087 -0.00133 -0.00001 -0.00014 0.00111 12 4ZZ 0.00115 -0.00280 0.00727 0.00239 0.00125 13 4XY -0.00092 0.00669 -0.00442 -0.00441 0.00558 14 4XZ 0.00110 -0.00280 -0.00205 0.00093 0.00325 15 4YZ 0.00074 -0.00165 0.00110 0.00030 -0.00424 16 2 C 1S 0.00937 0.01087 -0.00408 -0.00036 0.00588 17 2S -0.02083 -0.02182 0.00864 0.00108 -0.01077 18 2PX 0.02355 -0.04636 0.05102 0.03426 -0.05261 19 2PY -0.04754 0.19536 -0.06017 -0.03875 0.01148 20 2PZ 0.00372 0.15378 0.06746 0.01083 0.03787 21 3S -0.00965 -0.04433 0.01531 0.00643 -0.01814 22 3PX 0.00747 -0.00762 0.02766 0.01433 -0.01824 23 3PY -0.01395 0.06106 -0.01981 -0.01142 0.00885 24 3PZ 0.00437 0.05090 0.03234 0.00446 0.00578 25 4XX 0.00152 0.00174 -0.00692 -0.00151 0.00273 26 4YY -0.00087 -0.00133 -0.00001 -0.00014 -0.00111 27 4ZZ 0.00115 -0.00280 0.00727 0.00239 -0.00125 28 4XY 0.00092 -0.00669 0.00442 0.00441 0.00558 29 4XZ 0.00110 -0.00280 -0.00205 0.00093 -0.00325 30 4YZ -0.00074 0.00165 -0.00110 -0.00030 -0.00424 31 3 C 1S -0.10221 -0.01243 0.00593 0.00758 0.06160 32 2S 0.20674 0.02605 -0.01128 -0.01798 -0.12767 33 2PX -0.00355 0.00929 -0.04269 0.01429 0.07387 34 2PY -0.07521 0.01897 -0.04311 0.19957 0.11924 35 2PZ -0.00523 0.00864 -0.02146 0.01120 -0.01966 36 3S 0.19341 0.02642 -0.01502 -0.01838 -0.14638 37 3PX -0.00839 0.00957 -0.01713 -0.00485 0.03067 38 3PY -0.03143 0.00913 -0.02111 0.08101 0.04703 39 3PZ -0.00419 0.00263 -0.00587 0.01018 -0.00077 40 4XX -0.00818 -0.00096 0.00299 0.00020 0.00863 41 4YY 0.00404 0.00063 0.00065 -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 0.05700 0.00370 -0.00457 0.00525 -0.06954 47 2S -0.11519 -0.00603 0.00981 -0.00987 0.14349 48 2PX -0.08937 -0.01931 0.02770 -0.11643 0.06287 49 2PY -0.13460 -0.00266 -0.00744 0.12252 -0.08211 50 2PZ 0.08849 0.03280 -0.05980 0.14404 -0.07087 51 3S -0.10505 -0.01672 0.01738 -0.01926 0.15381 52 3PX -0.02722 -0.00291 0.00620 -0.03702 0.02733 53 3PY -0.02907 0.00142 -0.00400 0.03502 -0.03358 54 3PZ 0.02888 0.00950 -0.01937 0.04668 -0.03176 55 4XX 0.00703 0.00040 0.00076 0.00090 -0.00320 56 4YY -0.00385 -0.00038 0.00101 -0.00204 -0.00904 57 4ZZ 0.00294 0.00007 -0.00049 -0.00341 0.00280 58 4XY 0.00455 0.00015 -0.00020 -0.00210 -0.00786 59 4XZ -0.00046 -0.00055 0.00003 0.00131 -0.00555 60 4YZ -0.00466 -0.00026 0.00027 0.00046 0.00926 61 5 C 1S 0.05700 0.00370 -0.00457 0.00525 0.06954 62 2S -0.11519 -0.00603 0.00981 -0.00987 -0.14349 63 2PX -0.08937 -0.01931 0.02770 -0.11643 -0.06287 64 2PY 0.13460 0.00266 0.00744 -0.12252 -0.08211 65 2PZ 0.08849 0.03280 -0.05980 0.14404 0.07087 66 3S -0.10505 -0.01672 0.01738 -0.01926 -0.15381 67 3PX -0.02722 -0.00291 0.00620 -0.03702 -0.02733 68 3PY 0.02907 -0.00142 0.00400 -0.03502 -0.03358 69 3PZ 0.02888 0.00950 -0.01937 0.04668 0.03176 70 4XX 0.00703 0.00040 0.00076 0.00090 0.00320 71 4YY -0.00385 -0.00038 0.00101 -0.00204 0.00904 72 4ZZ 0.00294 0.00007 -0.00049 -0.00341 -0.00280 73 4XY -0.00455 -0.00015 0.00020 0.00210 -0.00786 74 4XZ -0.00046 -0.00055 0.00003 0.00131 0.00555 75 4YZ 0.00466 0.00026 -0.00027 -0.00046 0.00926 76 6 C 1S -0.10221 -0.01243 0.00593 0.00758 -0.06160 77 2S 0.20674 0.02605 -0.01128 -0.01798 0.12767 78 2PX -0.00355 0.00929 -0.04269 0.01429 -0.07387 79 2PY 0.07521 -0.01897 0.04311 -0.19957 0.11924 80 2PZ -0.00523 0.00864 -0.02146 0.01120 0.01966 81 3S 0.19341 0.02642 -0.01502 -0.01838 0.14638 82 3PX -0.00839 0.00957 -0.01713 -0.00485 -0.03067 83 3PY 0.03143 -0.00913 0.02111 -0.08101 0.04703 84 3PZ -0.00419 0.00263 -0.00587 0.01018 0.00077 85 4XX -0.00818 -0.00096 0.00299 0.00020 -0.00863 86 4YY 0.00404 0.00063 0.00065 -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 0.00746 -0.12876 0.00465 0.00976 0.03700 92 2S 0.00579 -0.07794 0.00772 0.00249 0.02722 93 8 H 1S -0.06453 -0.01842 0.03456 -0.12049 0.13843 94 2S -0.02740 -0.01177 0.02240 -0.08522 0.08665 95 9 H 1S -0.06453 -0.01842 0.03456 -0.12049 -0.13843 96 2S -0.02740 -0.01177 0.02240 -0.08522 -0.08665 97 10 H 1S 0.11678 -0.00022 0.02012 -0.11151 0.13179 98 2S 0.05092 -0.00381 0.01350 -0.06812 0.08344 99 11 H 1S 0.11678 -0.00022 0.02012 -0.11151 -0.13179 100 2S 0.05092 -0.00381 0.01350 -0.06812 -0.08344 101 12 H 1S 0.00746 -0.12876 0.00465 0.00976 -0.03700 102 2S 0.00579 -0.07794 0.00772 0.00249 -0.02722 103 13 C 1S 0.04252 0.00808 0.00681 0.00557 0.04544 104 2S -0.08562 -0.01802 -0.01492 -0.01013 -0.09134 105 2PX 0.02393 0.00211 -0.09664 0.03187 0.00771 106 2PY 0.07743 0.00184 0.02338 -0.08419 -0.03414 107 2PZ -0.10178 -0.03756 0.00532 -0.10168 -0.10452 108 3S -0.08412 -0.01121 -0.01990 -0.02786 -0.12229 109 3PX 0.00901 -0.00468 -0.04047 0.01507 0.00725 110 3PY 0.02420 0.00042 0.00272 -0.03836 -0.00864 111 3PZ -0.03482 -0.01451 -0.00659 -0.04013 -0.04434 112 4XX -0.00235 -0.00083 0.00328 -0.00497 -0.00641 113 4YY -0.00228 -0.00097 -0.00078 -0.00095 0.00754 114 4ZZ 0.00761 0.00105 -0.00188 0.00214 0.00294 115 4XY 0.00165 0.00026 -0.00069 -0.00075 0.00126 116 4XZ -0.00378 -0.00097 -0.00063 -0.00322 -0.00273 117 4YZ -0.00494 -0.00010 -0.00095 0.00328 -0.00987 118 14 H 1S -0.04640 -0.01879 -0.03237 -0.04629 -0.08453 119 2S -0.02136 -0.00974 -0.01510 -0.03114 -0.05214 120 15 H 1S -0.04247 -0.01139 0.05537 -0.04764 -0.06777 121 2S -0.01762 -0.01371 0.05149 -0.02204 -0.03710 122 16 C 1S 0.04252 0.00808 0.00681 0.00557 -0.04544 123 2S -0.08562 -0.01802 -0.01492 -0.01013 0.09134 124 2PX 0.02393 0.00211 -0.09664 0.03187 -0.00771 125 2PY -0.07743 -0.00184 -0.02338 0.08419 -0.03414 126 2PZ -0.10178 -0.03756 0.00532 -0.10168 0.10452 127 3S -0.08412 -0.01121 -0.01990 -0.02786 0.12229 128 3PX 0.00901 -0.00468 -0.04047 0.01507 -0.00725 129 3PY -0.02419 -0.00042 -0.00272 0.03836 -0.00864 130 3PZ -0.03482 -0.01451 -0.00659 -0.04013 0.04434 131 4XX -0.00235 -0.00083 0.00328 -0.00497 0.00641 132 4YY -0.00228 -0.00097 -0.00078 -0.00095 -0.00754 133 4ZZ 0.00761 0.00105 -0.00188 0.00214 -0.00294 134 4XY -0.00165 -0.00026 0.00069 0.00075 0.00126 135 4XZ -0.00378 -0.00097 -0.00063 -0.00322 0.00273 136 4YZ 0.00494 0.00010 0.00095 -0.00328 -0.00987 137 17 H 1S -0.04247 -0.01139 0.05537 -0.04764 0.06777 138 2S -0.01762 -0.01371 0.05149 -0.02204 0.03710 139 18 H 1S -0.04640 -0.01879 -0.03237 -0.04629 0.08453 140 2S -0.02136 -0.00974 -0.01510 -0.03114 0.05214 141 19 O 1S -0.00787 0.02952 -0.00278 -0.01111 0.00414 142 2S 0.01893 -0.06741 0.00643 0.02495 -0.00879 143 2PX -0.00462 0.05347 0.16040 0.03339 -0.06329 144 2PY 0.02736 -0.19859 0.08011 0.06941 -0.01146 145 2PZ 0.00853 0.05737 0.12575 0.03153 0.05849 146 3S 0.02410 -0.09920 0.00699 0.04172 -0.02136 147 3PX -0.00459 0.03581 0.08924 0.01747 -0.03353 148 3PY 0.01587 -0.11637 0.04809 0.04078 -0.00387 149 3PZ 0.00534 0.02721 0.07612 0.01902 0.02974 150 4XX 0.00143 -0.00629 0.00441 0.00253 0.00040 151 4YY -0.00199 0.01676 -0.00726 -0.00596 0.00109 152 4ZZ 0.00065 -0.00841 0.00324 0.00174 0.00074 153 4XY 0.00204 -0.01179 -0.00815 -0.00047 0.00280 154 4XZ -0.00007 0.00511 0.00055 -0.00080 -0.00002 155 4YZ -0.00149 0.00143 -0.01119 -0.00382 -0.00235 156 20 O 1S -0.00787 0.02952 -0.00278 -0.01111 -0.00414 157 2S 0.01893 -0.06741 0.00643 0.02495 0.00879 158 2PX -0.00462 0.05347 0.16040 0.03339 0.06329 159 2PY -0.02736 0.19860 -0.08011 -0.06941 -0.01146 160 2PZ 0.00853 0.05737 0.12575 0.03153 -0.05849 161 3S 0.02410 -0.09920 0.00699 0.04172 0.02136 162 3PX -0.00459 0.03581 0.08924 0.01747 0.03353 163 3PY -0.01587 0.11637 -0.04809 -0.04078 -0.00387 164 3PZ 0.00534 0.02721 0.07612 0.01902 -0.02974 165 4XX 0.00143 -0.00629 0.00441 0.00253 -0.00040 166 4YY -0.00199 0.01676 -0.00726 -0.00596 -0.00109 167 4ZZ 0.00065 -0.00841 0.00324 0.00174 -0.00074 168 4XY -0.00204 0.01179 0.00815 0.00047 0.00280 169 4XZ -0.00007 0.00511 0.00055 -0.00080 0.00002 170 4YZ 0.00149 -0.00143 0.01119 0.00382 -0.00235 171 21 C 1S -0.00096 0.01077 -0.00553 0.00027 0.00000 172 2S 0.00285 -0.02343 0.00836 -0.00202 0.00000 173 2PX -0.01560 0.22011 0.14681 0.00043 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.07077 175 2PZ 0.00731 -0.07965 0.30145 0.09955 0.00000 176 3S 0.00473 -0.04137 0.02722 0.00853 0.00000 177 3PX -0.00843 0.08450 0.07295 0.00355 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.02804 179 3PZ 0.00408 -0.01922 0.11947 0.04305 0.00000 180 4XX -0.00055 0.00015 -0.00213 -0.00084 0.00000 181 4YY 0.00114 0.00245 -0.00482 -0.00048 0.00000 182 4ZZ -0.00099 0.00008 0.00615 0.00099 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00227 184 4XZ 0.00164 -0.01453 0.00685 0.00449 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00290 186 22 H 1S 0.00036 -0.03000 0.17195 0.04823 0.00000 187 2S -0.00426 -0.02517 0.10561 0.02525 0.00000 188 23 H 1S 0.00689 -0.10831 -0.09040 -0.00873 0.00000 189 2S 0.00242 -0.06407 -0.05008 -0.00282 0.00000 26 27 28 29 30 O O O O O Eigenvalues -- -0.44670 -0.44355 -0.44106 -0.40558 -0.39790 1 1 C 1S -0.04334 -0.00848 0.00357 -0.00432 0.00571 2 2S 0.08672 0.02293 -0.01069 0.00807 -0.00807 3 2PX 0.13353 -0.09437 0.13124 0.02799 0.01140 4 2PY 0.07240 0.02203 -0.00099 -0.01151 -0.00264 5 2PZ -0.20089 0.03034 -0.16389 -0.02590 0.02549 6 3S 0.13910 0.00856 -0.01255 0.01683 -0.04804 7 3PX 0.03561 -0.03415 0.04727 0.00533 0.00372 8 3PY 0.00527 0.00616 -0.00331 0.00033 0.01919 9 3PZ -0.05307 0.00394 -0.06052 -0.00700 0.01613 10 4XX -0.01109 -0.00028 -0.00659 -0.00395 -0.00160 11 4YY 0.00182 -0.00045 0.00230 0.00138 0.00149 12 4ZZ 0.00420 -0.00121 0.00649 0.00176 0.00185 13 4XY 0.01347 -0.00069 0.00451 0.00022 0.00121 14 4XZ 0.00595 -0.00537 0.00274 0.00138 -0.00025 15 4YZ -0.02186 0.00207 -0.00452 -0.00011 0.00320 16 2 C 1S 0.04334 -0.00848 0.00357 -0.00432 -0.00571 17 2S -0.08672 0.02293 -0.01069 0.00807 0.00807 18 2PX -0.13353 -0.09436 0.13124 0.02799 -0.01140 19 2PY 0.07240 -0.02203 0.00099 0.01151 -0.00264 20 2PZ 0.20089 0.03034 -0.16389 -0.02590 -0.02549 21 3S -0.13910 0.00856 -0.01255 0.01683 0.04804 22 3PX -0.03561 -0.03415 0.04727 0.00533 -0.00372 23 3PY 0.00527 -0.00616 0.00331 -0.00033 0.01919 24 3PZ 0.05307 0.00393 -0.06052 -0.00700 -0.01613 25 4XX 0.01109 -0.00028 -0.00659 -0.00395 0.00160 26 4YY -0.00182 -0.00045 0.00230 0.00138 -0.00149 27 4ZZ -0.00420 -0.00121 0.00649 0.00176 -0.00185 28 4XY 0.01347 0.00069 -0.00451 -0.00022 0.00121 29 4XZ -0.00595 -0.00537 0.00274 0.00138 0.00025 30 4YZ -0.02186 -0.00207 0.00452 0.00011 0.00320 31 3 C 1S -0.02373 0.00062 0.00395 -0.00060 -0.02736 32 2S 0.04992 0.00094 -0.00775 0.00099 0.06302 33 2PX 0.01210 0.10546 0.03930 -0.12512 0.10100 34 2PY -0.02919 -0.01634 0.00078 -0.03523 0.25434 35 2PZ 0.02248 -0.00101 -0.04131 0.23685 0.03106 36 3S 0.05780 -0.01176 -0.01690 0.01216 0.09500 37 3PX 0.00314 0.04405 0.01130 -0.03648 0.04766 38 3PY -0.00935 -0.01977 -0.00854 -0.00710 0.07514 39 3PZ 0.02116 0.00502 -0.01306 0.08431 0.01005 40 4XX -0.00268 0.00005 -0.00022 -0.00440 0.00056 41 4YY 0.00332 -0.00144 -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 0.00244 0.00455 0.00024 45 4YZ 0.00094 0.00053 -0.00121 0.00457 -0.00081 46 4 C 1S 0.01119 -0.00121 0.00258 0.00504 -0.00673 47 2S -0.02095 0.00222 -0.00790 -0.01054 0.01763 48 2PX -0.01416 0.00932 -0.03105 0.15433 -0.12099 49 2PY 0.01098 -0.05724 -0.03603 0.19642 0.01492 50 2PZ 0.03526 0.05809 0.01673 -0.07679 0.16406 51 3S -0.03567 0.00521 0.00333 -0.01434 0.02553 52 3PX 0.00018 0.00838 -0.01601 0.06153 -0.01630 53 3PY -0.00468 -0.01738 -0.01229 0.07222 0.03692 54 3PZ 0.01226 0.02818 0.00603 -0.02509 0.03668 55 4XX -0.00010 -0.00217 0.00089 -0.00437 0.00156 56 4YY 0.00214 -0.00037 -0.00117 0.00309 -0.00776 57 4ZZ 0.00008 0.00265 -0.00011 0.00260 0.00083 58 4XY 0.00198 0.00173 0.00027 -0.00082 0.00671 59 4XZ 0.00022 -0.00064 0.00069 0.00131 -0.00156 60 4YZ -0.00367 -0.00012 -0.00047 0.00073 -0.01097 61 5 C 1S -0.01119 -0.00121 0.00258 0.00504 0.00673 62 2S 0.02095 0.00222 -0.00790 -0.01054 -0.01763 63 2PX 0.01416 0.00932 -0.03105 0.15433 0.12098 64 2PY 0.01098 0.05724 0.03603 -0.19642 0.01492 65 2PZ -0.03526 0.05809 0.01673 -0.07679 -0.16406 66 3S 0.03567 0.00521 0.00333 -0.01434 -0.02553 67 3PX -0.00018 0.00838 -0.01601 0.06153 0.01630 68 3PY -0.00468 0.01738 0.01229 -0.07222 0.03692 69 3PZ -0.01226 0.02818 0.00603 -0.02509 -0.03668 70 4XX 0.00010 -0.00217 0.00089 -0.00437 -0.00156 71 4YY -0.00214 -0.00037 -0.00117 0.00309 0.00776 72 4ZZ -0.00008 0.00265 -0.00011 0.00260 -0.00083 73 4XY 0.00198 -0.00173 -0.00027 0.00082 0.00671 74 4XZ -0.00022 -0.00064 0.00069 0.00131 0.00156 75 4YZ -0.00367 0.00012 0.00047 -0.00073 -0.01097 76 6 C 1S 0.02373 0.00062 0.00395 -0.00060 0.02736 77 2S -0.04992 0.00094 -0.00775 0.00099 -0.06302 78 2PX -0.01210 0.10546 0.03930 -0.12512 -0.10100 79 2PY -0.02919 0.01634 -0.00078 0.03524 0.25434 80 2PZ -0.02248 -0.00101 -0.04131 0.23685 -0.03106 81 3S -0.05781 -0.01176 -0.01690 0.01216 -0.09500 82 3PX -0.00314 0.04405 0.01130 -0.03648 -0.04766 83 3PY -0.00935 0.01977 0.00854 0.00710 0.07514 84 3PZ -0.02116 0.00502 -0.01306 0.08431 -0.01005 85 4XX 0.00268 0.00005 -0.00022 -0.00440 -0.00056 86 4YY -0.00332 -0.00144 -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 0.00244 0.00455 -0.00024 90 4YZ 0.00094 -0.00053 0.00121 -0.00457 -0.00081 91 7 H 1S 0.18977 -0.00996 0.08954 0.01442 -0.01385 92 2S 0.14822 -0.01110 0.07278 0.00770 -0.00330 93 8 H 1S -0.03399 -0.00332 -0.00879 0.01609 -0.11251 94 2S -0.02850 -0.00145 -0.00537 0.01592 -0.10979 95 9 H 1S 0.03399 -0.00332 -0.00879 0.01609 0.11251 96 2S 0.02850 -0.00145 -0.00537 0.01592 0.10979 97 10 H 1S -0.03817 0.00207 -0.00457 0.02004 0.13988 98 2S -0.02416 -0.00272 -0.00595 0.01915 0.14217 99 11 H 1S 0.03817 0.00207 -0.00457 0.02004 -0.13988 100 2S 0.02416 -0.00272 -0.00595 0.01915 -0.14217 101 12 H 1S -0.18977 -0.00995 0.08954 0.01442 0.01385 102 2S -0.14822 -0.01109 0.07278 0.00770 0.00330 103 13 C 1S -0.01410 0.00516 0.00042 0.00002 0.00885 104 2S 0.03010 -0.01141 -0.00049 0.00170 -0.01672 105 2PX -0.01797 0.22951 0.07273 0.12344 -0.12742 106 2PY 0.01119 0.01036 -0.01418 0.14016 0.01426 107 2PZ 0.04251 0.10552 0.07138 -0.15623 0.07845 108 3S 0.04061 -0.01705 -0.00836 0.00243 -0.05379 109 3PX 0.00227 0.10348 0.03533 0.05631 -0.06030 110 3PY 0.00920 -0.00079 -0.01007 0.06578 0.03115 111 3PZ 0.02054 0.04031 0.02585 -0.07068 0.02684 112 4XX 0.00244 -0.00087 0.00018 -0.00463 0.00344 113 4YY -0.00212 -0.00102 0.00009 -0.00205 0.00505 114 4ZZ -0.00061 0.00332 0.00082 0.00507 -0.00687 115 4XY -0.00150 0.00302 0.00087 0.00124 -0.00780 116 4XZ 0.00133 0.00828 0.00353 0.00200 0.00167 117 4YZ 0.00352 0.00012 0.00057 -0.00272 0.00143 118 14 H 1S 0.02579 0.12778 0.05392 0.01218 -0.02404 119 2S 0.01204 0.10029 0.04355 0.00920 -0.01493 120 15 H 1S 0.03169 -0.09957 -0.02815 -0.06367 0.08254 121 2S 0.02292 -0.06369 -0.00944 -0.04918 0.07451 122 16 C 1S 0.01410 0.00516 0.00042 0.00002 -0.00885 123 2S -0.03010 -0.01141 -0.00049 0.00170 0.01672 124 2PX 0.01797 0.22951 0.07273 0.12344 0.12742 125 2PY 0.01119 -0.01036 0.01418 -0.14016 0.01426 126 2PZ -0.04250 0.10552 0.07138 -0.15624 -0.07844 127 3S -0.04061 -0.01705 -0.00836 0.00243 0.05379 128 3PX -0.00227 0.10348 0.03533 0.05631 0.06030 129 3PY 0.00920 0.00079 0.01007 -0.06578 0.03115 130 3PZ -0.02054 0.04031 0.02585 -0.07068 -0.02684 131 4XX -0.00244 -0.00087 0.00018 -0.00463 -0.00344 132 4YY 0.00212 -0.00102 0.00009 -0.00205 -0.00505 133 4ZZ 0.00061 0.00332 0.00082 0.00507 0.00687 134 4XY -0.00150 -0.00302 -0.00087 -0.00124 -0.00780 135 4XZ -0.00133 0.00828 0.00353 0.00200 -0.00167 136 4YZ 0.00352 -0.00012 -0.00057 0.00272 0.00143 137 17 H 1S -0.03169 -0.09957 -0.02815 -0.06368 -0.08254 138 2S -0.02292 -0.06369 -0.00944 -0.04918 -0.07451 139 18 H 1S -0.02578 0.12778 0.05392 0.01218 0.02404 140 2S -0.01204 0.10029 0.04355 0.00920 0.01493 141 19 O 1S 0.01679 0.01264 -0.02333 -0.00419 0.00046 142 2S -0.03653 -0.02826 0.05160 0.00896 -0.00284 143 2PX -0.20202 0.12865 -0.15398 -0.02096 0.04583 144 2PY -0.02965 -0.00071 -0.02248 0.01390 0.02108 145 2PZ 0.12164 -0.05247 0.18958 0.04667 0.05293 146 3S -0.08736 -0.04940 0.10468 0.01780 0.00124 147 3PX -0.10906 0.07167 -0.08073 -0.01166 0.03273 148 3PY -0.00786 -0.00893 -0.00851 0.00961 0.01281 149 3PZ 0.05874 -0.02969 0.10564 0.03037 0.03686 150 4XX -0.00008 0.00066 -0.00830 -0.00066 0.00101 151 4YY 0.00227 0.00028 0.00208 -0.00071 -0.00156 152 4ZZ 0.00539 0.00301 -0.00039 -0.00006 -0.00122 153 4XY 0.00859 -0.00644 0.00494 0.00084 -0.00145 154 4XZ -0.00199 -0.00354 0.00343 0.00036 0.00144 155 4YZ -0.00510 0.00044 -0.00948 -0.00241 -0.00199 156 20 O 1S -0.01679 0.01264 -0.02333 -0.00419 -0.00046 157 2S 0.03653 -0.02826 0.05160 0.00896 0.00284 158 2PX 0.20202 0.12865 -0.15398 -0.02096 -0.04583 159 2PY -0.02965 0.00071 0.02248 -0.01390 0.02108 160 2PZ -0.12164 -0.05247 0.18958 0.04667 -0.05293 161 3S 0.08736 -0.04940 0.10468 0.01780 -0.00124 162 3PX 0.10906 0.07167 -0.08073 -0.01166 -0.03273 163 3PY -0.00786 0.00893 0.00851 -0.00961 0.01281 164 3PZ -0.05874 -0.02969 0.10564 0.03037 -0.03686 165 4XX 0.00008 0.00066 -0.00830 -0.00066 -0.00101 166 4YY -0.00227 0.00028 0.00208 -0.00071 0.00156 167 4ZZ -0.00539 0.00301 -0.00039 -0.00006 0.00122 168 4XY 0.00859 0.00644 -0.00494 -0.00084 -0.00145 169 4XZ 0.00199 -0.00354 0.00343 0.00036 -0.00144 170 4YZ -0.00510 -0.00044 0.00948 0.00241 -0.00199 171 21 C 1S 0.00000 -0.01983 0.02043 -0.00013 0.00000 172 2S 0.00000 0.04352 -0.04013 0.00100 0.00000 173 2PX 0.00000 0.00892 0.29898 0.03911 0.00000 174 2PY 0.19149 0.00000 0.00000 0.00000 -0.00995 175 2PZ 0.00000 0.19833 -0.06930 0.01119 0.00000 176 3S 0.00000 0.05137 -0.05412 0.00645 0.00000 177 3PX 0.00000 -0.00565 0.10989 0.00773 0.00000 178 3PY 0.08925 0.00000 0.00000 0.00000 0.00177 179 3PZ 0.00000 0.08657 -0.01961 0.01498 0.00000 180 4XX 0.00000 0.00313 -0.02269 -0.00375 0.00000 181 4YY 0.00000 -0.01635 0.02992 0.00468 0.00000 182 4ZZ 0.00000 0.01230 -0.00794 -0.00148 0.00000 183 4XY 0.00392 0.00000 0.00000 0.00000 0.00211 184 4XZ 0.00000 0.00182 -0.00457 0.00025 0.00000 185 4YZ -0.00850 0.00000 0.00000 0.00000 0.00432 186 22 H 1S 0.00000 0.12924 -0.03839 0.00243 0.00000 187 2S 0.00000 0.07777 -0.03202 -0.01649 0.00000 188 23 H 1S 0.00000 0.00140 -0.19582 -0.02667 0.00000 189 2S 0.00000 -0.00862 -0.14788 -0.02502 0.00000 31 32 33 34 35 O O O O O Eigenvalues -- -0.38963 -0.38414 -0.37326 -0.35525 -0.34881 1 1 C 1S 0.01689 -0.00694 -0.01727 0.03095 0.00028 2 2S -0.03768 0.01690 0.03514 -0.07035 -0.00353 3 2PX -0.11956 0.02819 0.05562 0.07433 0.12392 4 2PY 0.23108 -0.11830 0.00836 0.00356 0.18251 5 2PZ -0.09958 0.03293 0.08244 -0.04473 0.12765 6 3S -0.05886 0.02341 0.07137 -0.10616 -0.00161 7 3PX -0.05942 0.01764 0.05558 -0.00859 0.08673 8 3PY 0.05968 -0.02881 -0.01927 0.05220 0.05864 9 3PZ -0.04601 0.00578 0.03758 0.01249 0.08088 10 4XX 0.01016 -0.00359 -0.00612 -0.00543 -0.00039 11 4YY -0.00909 0.00439 -0.00395 0.01151 -0.00544 12 4ZZ 0.00694 -0.00473 0.00789 -0.00274 0.00897 13 4XY 0.00674 -0.00170 0.00605 -0.00330 -0.00188 14 4XZ -0.00732 0.00269 -0.00250 0.00900 -0.00648 15 4YZ -0.00407 0.00262 0.00412 0.00351 -0.00620 16 2 C 1S 0.01689 -0.00694 0.01727 -0.03095 0.00028 17 2S -0.03768 0.01690 -0.03514 0.07035 -0.00353 18 2PX -0.11956 0.02819 -0.05562 -0.07433 0.12392 19 2PY -0.23108 0.11830 0.00836 0.00356 -0.18251 20 2PZ -0.09958 0.03293 -0.08244 0.04473 0.12765 21 3S -0.05886 0.02341 -0.07137 0.10616 -0.00160 22 3PX -0.05942 0.01764 -0.05558 0.00859 0.08673 23 3PY -0.05968 0.02881 -0.01927 0.05220 -0.05864 24 3PZ -0.04601 0.00578 -0.03758 -0.01249 0.08088 25 4XX 0.01016 -0.00359 0.00612 0.00543 -0.00039 26 4YY -0.00909 0.00439 0.00395 -0.01151 -0.00544 27 4ZZ 0.00694 -0.00473 -0.00789 0.00274 0.00897 28 4XY -0.00674 0.00170 0.00605 -0.00330 0.00188 29 4XZ -0.00732 0.00269 0.00250 -0.00900 -0.00648 30 4YZ 0.00407 -0.00262 0.00412 0.00351 0.00620 31 3 C 1S -0.00338 0.00256 0.00623 0.00442 0.00778 32 2S 0.00582 -0.00655 -0.01853 -0.01274 -0.01954 33 2PX 0.00251 0.01299 0.05241 0.01313 -0.09600 34 2PY -0.01290 -0.05039 -0.13677 -0.05863 -0.02133 35 2PZ 0.01549 -0.03911 0.03082 0.01261 -0.06730 36 3S 0.01606 -0.01081 0.01226 0.01658 -0.01465 37 3PX 0.00158 -0.01051 0.05384 0.02949 -0.05667 38 3PY -0.00481 -0.00966 -0.01682 -0.00960 -0.00986 39 3PZ 0.00693 0.01470 0.01455 0.00025 -0.04225 40 4XX -0.00094 -0.00035 -0.00515 -0.00165 -0.00137 41 4YY 0.00197 0.00346 0.00662 0.00265 0.00411 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 0.00234 0.00624 45 4YZ -0.00223 -0.01022 0.00122 0.00048 -0.00250 46 4 C 1S -0.00999 -0.01763 0.01083 0.00562 0.00511 47 2S 0.02443 0.04016 -0.02195 -0.00834 -0.01108 48 2PX -0.02174 -0.07886 0.05002 0.02591 -0.06472 49 2PY 0.11438 0.19126 -0.00069 0.00045 0.08216 50 2PZ 0.06210 0.09333 -0.01744 -0.01616 -0.08546 51 3S 0.01835 0.06649 -0.07770 -0.05446 -0.01058 52 3PX -0.00346 -0.03125 0.03150 0.02533 -0.03995 53 3PY 0.03864 0.05038 -0.01267 -0.00306 0.03214 54 3PZ 0.02361 0.02974 -0.01974 -0.01899 -0.04541 55 4XX -0.00311 -0.00315 -0.00321 -0.00086 0.00326 56 4YY 0.00326 0.00571 0.00484 0.00223 0.00106 57 4ZZ -0.00360 -0.00916 0.00062 0.00079 -0.00378 58 4XY 0.00093 0.00115 -0.00197 -0.00123 -0.00182 59 4XZ 0.00264 0.00609 0.00205 0.00113 0.00290 60 4YZ -0.00077 -0.00278 -0.00017 0.00079 -0.00156 61 5 C 1S -0.00999 -0.01763 -0.01083 -0.00562 0.00511 62 2S 0.02443 0.04016 0.02195 0.00834 -0.01108 63 2PX -0.02174 -0.07886 -0.05002 -0.02591 -0.06472 64 2PY -0.11438 -0.19126 -0.00069 0.00045 -0.08216 65 2PZ 0.06210 0.09333 0.01744 0.01616 -0.08546 66 3S 0.01835 0.06649 0.07770 0.05446 -0.01058 67 3PX -0.00346 -0.03125 -0.03150 -0.02532 -0.03995 68 3PY -0.03864 -0.05038 -0.01267 -0.00306 -0.03214 69 3PZ 0.02361 0.02974 0.01974 0.01899 -0.04541 70 4XX -0.00311 -0.00315 0.00321 0.00086 0.00326 71 4YY 0.00326 0.00571 -0.00484 -0.00223 0.00106 72 4ZZ -0.00360 -0.00916 -0.00062 -0.00079 -0.00378 73 4XY -0.00093 -0.00115 -0.00197 -0.00123 0.00182 74 4XZ 0.00264 0.00609 -0.00205 -0.00113 0.00290 75 4YZ 0.00077 0.00278 -0.00017 0.00079 0.00156 76 6 C 1S -0.00338 0.00256 -0.00623 -0.00442 0.00778 77 2S 0.00582 -0.00655 0.01853 0.01274 -0.01954 78 2PX 0.00251 0.01299 -0.05241 -0.01313 -0.09600 79 2PY 0.01290 0.05039 -0.13677 -0.05863 0.02133 80 2PZ 0.01549 -0.03911 -0.03082 -0.01261 -0.06730 81 3S 0.01606 -0.01081 -0.01226 -0.01658 -0.01465 82 3PX 0.00158 -0.01051 -0.05384 -0.02949 -0.05667 83 3PY 0.00481 0.00966 -0.01682 -0.00960 0.00986 84 3PZ 0.00693 0.01470 -0.01455 -0.00025 -0.04225 85 4XX -0.00094 -0.00035 0.00515 0.00165 -0.00137 86 4YY 0.00197 0.00346 -0.00662 -0.00265 0.00411 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 -0.00234 0.00624 90 4YZ 0.00223 0.01022 0.00122 0.00048 0.00250 91 7 H 1S 0.10331 -0.05196 -0.00692 -0.00525 0.04080 92 2S 0.09581 -0.05554 -0.01352 0.00961 0.05592 93 8 H 1S -0.06115 -0.11468 0.01198 0.01067 -0.01679 94 2S -0.05781 -0.11959 0.00971 0.00876 -0.01664 95 9 H 1S -0.06115 -0.11468 -0.01198 -0.01067 -0.01679 96 2S -0.05782 -0.11959 -0.00971 -0.00876 -0.01664 97 10 H 1S 0.01387 0.03208 -0.07864 -0.03232 0.02010 98 2S 0.01012 0.03590 -0.08718 -0.02902 0.02221 99 11 H 1S 0.01388 0.03208 0.07864 0.03231 0.02010 100 2S 0.01012 0.03590 0.08718 0.02902 0.02221 101 12 H 1S 0.10331 -0.05196 0.00692 0.00525 0.04080 102 2S 0.09581 -0.05554 0.01352 -0.00961 0.05592 103 13 C 1S 0.00306 0.02069 -0.00249 -0.00130 0.00272 104 2S -0.00755 -0.04516 -0.00035 0.00385 -0.00793 105 2PX -0.08123 -0.04519 -0.15607 -0.08140 0.08071 106 2PY 0.07395 0.21892 -0.01045 -0.00257 -0.04213 107 2PZ 0.00722 0.16430 -0.09243 -0.04261 0.06560 108 3S -0.00372 -0.08486 0.04622 -0.00040 0.00102 109 3PX -0.03275 -0.01862 -0.06145 -0.02240 0.03267 110 3PY 0.03468 0.09033 -0.04179 -0.01344 -0.01868 111 3PZ 0.01609 0.08315 -0.06035 -0.02683 0.02493 112 4XX 0.00435 0.01049 0.00122 0.00088 -0.00329 113 4YY -0.00171 -0.00682 -0.00236 -0.00078 0.00059 114 4ZZ -0.00110 0.00220 -0.00011 -0.00014 0.00285 115 4XY -0.00073 -0.00052 -0.01122 -0.00584 0.00004 116 4XZ -0.00447 0.00227 -0.00668 -0.00432 0.00978 117 4YZ -0.00023 0.00023 -0.00379 -0.00185 0.00002 118 14 H 1S -0.02004 0.07974 -0.11104 -0.05648 0.05823 119 2S -0.02532 0.07536 -0.09573 -0.05361 0.06183 120 15 H 1S 0.06090 0.08549 0.08477 0.04649 -0.05429 121 2S 0.04167 0.08606 0.09772 0.06860 -0.05671 122 16 C 1S 0.00306 0.02069 0.00249 0.00130 0.00272 123 2S -0.00755 -0.04516 0.00035 -0.00385 -0.00793 124 2PX -0.08123 -0.04519 0.15607 0.08140 0.08071 125 2PY -0.07395 -0.21892 -0.01045 -0.00257 0.04213 126 2PZ 0.00722 0.16430 0.09243 0.04261 0.06560 127 3S -0.00372 -0.08486 -0.04622 0.00040 0.00102 128 3PX -0.03275 -0.01862 0.06145 0.02240 0.03267 129 3PY -0.03468 -0.09033 -0.04179 -0.01344 0.01868 130 3PZ 0.01609 0.08315 0.06035 0.02683 0.02493 131 4XX 0.00435 0.01049 -0.00122 -0.00088 -0.00329 132 4YY -0.00171 -0.00682 0.00236 0.00078 0.00059 133 4ZZ -0.00110 0.00220 0.00011 0.00014 0.00285 134 4XY 0.00073 0.00052 -0.01122 -0.00584 -0.00004 135 4XZ -0.00447 0.00227 0.00668 0.00432 0.00978 136 4YZ 0.00023 -0.00023 -0.00379 -0.00185 -0.00002 137 17 H 1S 0.06090 0.08549 -0.08477 -0.04649 -0.05429 138 2S 0.04167 0.08606 -0.09772 -0.06860 -0.05671 139 18 H 1S -0.02004 0.07974 0.11104 0.05648 0.05823 140 2S -0.02532 0.07536 0.09573 0.05361 0.06183 141 19 O 1S 0.03751 -0.01425 0.01757 -0.03613 0.01841 142 2S -0.07463 0.02607 -0.03957 0.07274 -0.03594 143 2PX 0.04362 -0.02392 0.17528 -0.06747 0.13857 144 2PY -0.20891 0.08342 -0.09692 0.41182 -0.10606 145 2PZ -0.11689 0.03180 0.20961 0.03334 0.09791 146 3S -0.17862 0.07432 -0.06330 0.13351 -0.08449 147 3PX 0.02996 -0.01449 0.12777 -0.04959 0.09594 148 3PY -0.12844 0.05036 -0.06172 0.27491 -0.06922 149 3PZ -0.07703 0.02164 0.13959 0.02383 0.06029 150 4XX -0.00403 0.00041 0.00513 0.00060 0.01004 151 4YY 0.01542 -0.00641 0.00347 -0.02029 0.00698 152 4ZZ 0.00532 -0.00242 -0.00345 0.00181 -0.00747 153 4XY -0.00010 -0.00003 -0.00860 0.00813 -0.00210 154 4XZ -0.00067 0.00041 0.00242 0.00199 0.00135 155 4YZ 0.00249 0.00081 -0.00771 -0.00316 -0.00640 156 20 O 1S 0.03751 -0.01425 -0.01757 0.03613 0.01841 157 2S -0.07463 0.02607 0.03957 -0.07274 -0.03594 158 2PX 0.04362 -0.02392 -0.17528 0.06747 0.13857 159 2PY 0.20891 -0.08342 -0.09692 0.41182 0.10607 160 2PZ -0.11689 0.03180 -0.20961 -0.03334 0.09790 161 3S -0.17862 0.07432 0.06330 -0.13351 -0.08449 162 3PX 0.02996 -0.01449 -0.12777 0.04959 0.09594 163 3PY 0.12844 -0.05036 -0.06172 0.27491 0.06922 164 3PZ -0.07703 0.02164 -0.13959 -0.02383 0.06029 165 4XX -0.00403 0.00041 -0.00513 -0.00060 0.01004 166 4YY 0.01542 -0.00641 -0.00347 0.02029 0.00698 167 4ZZ 0.00532 -0.00242 0.00345 -0.00181 -0.00747 168 4XY 0.00010 0.00003 -0.00860 0.00813 0.00210 169 4XZ -0.00067 0.00041 -0.00242 -0.00199 0.00135 170 4YZ -0.00249 -0.00081 -0.00771 -0.00316 0.00640 171 21 C 1S -0.03129 0.01592 0.00000 0.00000 -0.02087 172 2S 0.07639 -0.03963 0.00000 0.00000 0.05255 173 2PX 0.15454 -0.07162 0.00000 0.00000 -0.06502 174 2PY 0.00000 0.00000 0.06905 -0.17978 0.00000 175 2PZ -0.01797 -0.00016 0.00000 0.00000 -0.17947 176 3S 0.08255 -0.04561 0.00000 0.00000 0.06791 177 3PX 0.06705 -0.03035 0.00000 0.00000 -0.00653 178 3PY 0.00000 0.00000 0.02100 -0.00553 0.00000 179 3PZ -0.02674 -0.00026 0.00000 0.00000 -0.04819 180 4XX -0.00402 0.00157 0.00000 0.00000 0.01842 181 4YY -0.01126 0.00388 0.00000 0.00000 -0.00293 182 4ZZ 0.01304 -0.00461 0.00000 0.00000 -0.01775 183 4XY 0.00000 0.00000 0.01650 -0.01812 0.00000 184 4XZ -0.00786 0.00305 0.00000 0.00000 -0.00389 185 4YZ 0.00000 0.00000 0.00763 0.01713 0.00000 186 22 H 1S 0.05620 -0.02391 0.00000 0.00000 -0.12004 187 2S 0.05454 -0.01113 0.00000 0.00000 -0.15192 188 23 H 1S -0.05868 0.02636 0.00000 0.00000 0.10324 189 2S -0.06681 0.02976 0.00000 0.00000 0.09888 36 37 38 39 40 O O O O O Eigenvalues -- -0.32858 -0.31942 -0.31708 -0.28625 -0.19800 1 1 C 1S -0.00396 0.00532 -0.00345 -0.01309 0.00047 2 2S 0.01443 -0.00845 0.00539 0.03295 -0.00361 3 2PX 0.06827 -0.04147 0.04077 0.03638 0.07533 4 2PY 0.02131 -0.01539 0.07049 0.02276 -0.01352 5 2PZ 0.03286 -0.00481 0.01753 -0.00904 0.10140 6 3S -0.03882 -0.03297 0.01007 0.03754 -0.00178 7 3PX 0.06161 -0.01579 0.02910 0.01482 0.08053 8 3PY 0.04194 -0.00388 0.02062 0.01828 0.01804 9 3PZ 0.00483 -0.02484 0.01762 0.00807 0.07062 10 4XX -0.01180 0.00670 -0.00324 -0.01368 0.00967 11 4YY 0.00249 -0.00148 -0.00236 0.00225 -0.00210 12 4ZZ 0.00724 -0.00410 0.00537 0.00947 -0.00515 13 4XY 0.00319 -0.00175 -0.00108 0.00084 0.00517 14 4XZ -0.00162 -0.00018 -0.00258 -0.00409 0.00505 15 4YZ 0.00352 -0.00072 -0.00251 -0.00145 0.00741 16 2 C 1S 0.00396 -0.00532 -0.00345 -0.01309 -0.00047 17 2S -0.01443 0.00845 0.00539 0.03295 0.00361 18 2PX -0.06827 0.04147 0.04076 0.03638 -0.07533 19 2PY 0.02131 -0.01539 -0.07049 -0.02276 -0.01352 20 2PZ -0.03286 0.00481 0.01753 -0.00904 -0.10141 21 3S 0.03882 0.03297 0.01007 0.03754 0.00177 22 3PX -0.06161 0.01579 0.02909 0.01482 -0.08053 23 3PY 0.04194 -0.00388 -0.02062 -0.01828 0.01804 24 3PZ -0.00483 0.02485 0.01762 0.00807 -0.07062 25 4XX 0.01180 -0.00670 -0.00323 -0.01368 -0.00967 26 4YY -0.00249 0.00148 -0.00236 0.00225 0.00210 27 4ZZ -0.00724 0.00410 0.00537 0.00947 0.00515 28 4XY 0.00319 -0.00175 0.00108 -0.00084 0.00517 29 4XZ 0.00162 0.00018 -0.00258 -0.00409 -0.00505 30 4YZ 0.00352 -0.00072 0.00251 0.00145 0.00741 31 3 C 1S -0.01044 0.00118 -0.00072 0.01248 0.01316 32 2S 0.02697 0.00313 0.00764 -0.02322 -0.02810 33 2PX -0.08855 -0.10028 0.06197 0.12501 0.25643 34 2PY 0.05358 0.02350 0.18181 -0.07743 -0.08082 35 2PZ 0.10162 0.23183 0.05580 0.04044 0.15995 36 3S 0.02200 -0.05077 -0.02049 -0.06290 -0.04145 37 3PX -0.04267 -0.04288 0.02754 0.07268 0.19395 38 3PY 0.01136 -0.02971 0.04897 -0.05954 -0.02273 39 3PZ 0.03858 0.09632 0.02302 0.03569 0.14701 40 4XX -0.00064 -0.00142 0.00777 0.01107 0.00723 41 4YY -0.00225 -0.00268 -0.02072 0.00379 0.00184 42 4ZZ 0.00156 0.00579 0.00930 -0.01078 -0.00813 43 4XY -0.00278 -0.00456 -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 -0.00476 0.00272 0.00196 -0.01120 -0.00590 47 2S 0.00546 -0.01589 -0.00791 0.02347 0.01966 48 2PX 0.04981 0.14859 0.00087 0.19344 0.11965 49 2PY 0.00447 0.01666 -0.21059 0.00890 -0.02877 50 2PZ -0.05520 -0.12132 0.02499 0.20516 0.15113 51 3S 0.04961 0.07021 0.00323 0.05553 -0.04887 52 3PX 0.00351 0.02663 -0.00318 0.12750 0.12082 53 3PY 0.02033 0.04056 -0.07791 -0.00527 -0.07359 54 3PZ -0.00505 -0.00323 0.02231 0.13574 0.09142 55 4XX 0.00023 -0.00152 0.00351 -0.00665 -0.01018 56 4YY -0.00207 -0.00041 -0.00856 0.00362 0.00345 57 4ZZ 0.00242 0.00732 0.00764 0.00066 0.00537 58 4XY -0.00501 -0.01190 -0.00292 0.00789 -0.00667 59 4XZ -0.00311 -0.00451 -0.00649 0.00105 0.00071 60 4YZ 0.00529 0.00993 0.00311 0.00356 -0.01174 61 5 C 1S 0.00476 -0.00272 0.00196 -0.01120 0.00590 62 2S -0.00546 0.01588 -0.00791 0.02347 -0.01966 63 2PX -0.04981 -0.14859 0.00088 0.19344 -0.11965 64 2PY 0.00447 0.01667 0.21058 -0.00890 -0.02877 65 2PZ 0.05520 0.12132 0.02498 0.20516 -0.15114 66 3S -0.04961 -0.07021 0.00324 0.05553 0.04887 67 3PX -0.00351 -0.02663 -0.00318 0.12750 -0.12082 68 3PY 0.02033 0.04056 0.07791 0.00527 -0.07359 69 3PZ 0.00505 0.00323 0.02231 0.13574 -0.09142 70 4XX -0.00023 0.00152 0.00351 -0.00665 0.01018 71 4YY 0.00207 0.00040 -0.00856 0.00362 -0.00345 72 4ZZ -0.00242 -0.00732 0.00764 0.00066 -0.00537 73 4XY -0.00501 -0.01190 0.00292 -0.00789 -0.00667 74 4XZ 0.00311 0.00451 -0.00649 0.00105 -0.00071 75 4YZ 0.00529 0.00993 -0.00311 -0.00356 -0.01174 76 6 C 1S 0.01044 -0.00118 -0.00072 0.01248 -0.01316 77 2S -0.02697 -0.00313 0.00764 -0.02322 0.02810 78 2PX 0.08855 0.10029 0.06197 0.12501 -0.25643 79 2PY 0.05358 0.02348 -0.18181 0.07743 -0.08082 80 2PZ -0.10162 -0.23183 0.05582 0.04044 -0.15995 81 3S -0.02200 0.05076 -0.02050 -0.06290 0.04144 82 3PX 0.04267 0.04288 0.02754 0.07268 -0.19395 83 3PY 0.01136 -0.02971 -0.04897 0.05954 -0.02273 84 3PZ -0.03858 -0.09632 0.02303 0.03569 -0.14701 85 4XX 0.00064 0.00142 0.00777 0.01107 -0.00723 86 4YY 0.00225 0.00267 -0.02072 0.00379 -0.00184 87 4ZZ -0.00156 -0.00579 0.00930 -0.01078 0.00813 88 4XY -0.00278 -0.00456 0.00177 -0.00378 0.00203 89 4XZ 0.00614 -0.00381 -0.00469 0.00194 0.00293 90 4YZ 0.00326 0.00689 0.00267 -0.00447 0.00138 91 7 H 1S 0.01312 -0.01729 0.03248 0.04366 -0.06510 92 2S 0.00244 -0.01916 0.03079 0.03398 -0.07002 93 8 H 1S 0.05621 0.12075 0.06928 -0.02891 -0.02585 94 2S 0.06633 0.15116 0.08111 -0.03231 -0.05062 95 9 H 1S -0.05621 -0.12075 0.06929 -0.02891 0.02585 96 2S -0.06633 -0.15116 0.08112 -0.03231 0.05062 97 10 H 1S 0.02692 0.02561 -0.15224 0.03721 -0.02189 98 2S 0.04163 0.03571 -0.16878 0.04307 -0.05194 99 11 H 1S -0.02692 -0.02562 -0.15224 0.03721 0.02189 100 2S -0.04163 -0.03573 -0.16878 0.04307 0.05194 101 12 H 1S -0.01312 0.01729 0.03248 0.04366 0.06510 102 2S -0.00244 0.01916 0.03079 0.03398 0.07002 103 13 C 1S 0.00999 0.00303 0.00649 0.00204 -0.00752 104 2S -0.02397 -0.00985 -0.01911 -0.00733 0.00933 105 2PX 0.14193 -0.16962 -0.00754 -0.05500 0.07890 106 2PY -0.01369 -0.01038 0.27372 -0.09271 -0.01321 107 2PZ 0.17307 0.18143 -0.03440 0.01722 0.03512 108 3S -0.05245 -0.02788 -0.00793 -0.01559 0.09907 109 3PX 0.07498 -0.08638 -0.00320 -0.01732 0.04013 110 3PY -0.01212 0.00216 0.13289 -0.06112 -0.01255 111 3PZ 0.06062 0.11418 -0.03285 -0.01014 0.01888 112 4XX 0.00130 0.00941 0.00760 0.00246 -0.00619 113 4YY 0.00038 -0.00084 -0.01218 0.00278 -0.00399 114 4ZZ 0.00065 -0.00559 0.00679 -0.00717 0.00914 115 4XY 0.00982 -0.01124 -0.00067 0.00033 0.00312 116 4XZ 0.00982 -0.00252 -0.00308 -0.00570 0.01276 117 4YZ 0.01005 0.01133 0.00382 -0.00204 0.00325 118 14 H 1S 0.14065 0.00343 0.03761 -0.04875 0.08657 119 2S 0.14965 -0.00222 0.04295 -0.04231 0.10181 120 15 H 1S -0.06160 0.13917 0.06450 0.01831 -0.06721 121 2S -0.01795 0.12496 0.06739 0.04702 -0.11832 122 16 C 1S -0.00999 -0.00303 0.00649 0.00204 0.00752 123 2S 0.02397 0.00985 -0.01911 -0.00733 -0.00933 124 2PX -0.14193 0.16962 -0.00755 -0.05500 -0.07890 125 2PY -0.01369 -0.01040 -0.27372 0.09271 -0.01321 126 2PZ -0.17307 -0.18143 -0.03438 0.01722 -0.03513 127 3S 0.05245 0.02788 -0.00793 -0.01559 -0.09907 128 3PX -0.07498 0.08638 -0.00320 -0.01732 -0.04013 129 3PY -0.01212 0.00215 -0.13289 0.06112 -0.01255 130 3PZ -0.06062 -0.11419 -0.03284 -0.01014 -0.01888 131 4XX -0.00130 -0.00941 0.00760 0.00246 0.00619 132 4YY -0.00038 0.00084 -0.01218 0.00278 0.00399 133 4ZZ -0.00065 0.00559 0.00679 -0.00717 -0.00914 134 4XY 0.00982 -0.01124 0.00067 -0.00033 0.00312 135 4XZ -0.00982 0.00252 -0.00308 -0.00570 -0.01276 136 4YZ 0.01005 0.01133 -0.00382 0.00204 0.00325 137 17 H 1S 0.06160 -0.13917 0.06451 0.01831 0.06721 138 2S 0.01795 -0.12495 0.06740 0.04702 0.11832 139 18 H 1S -0.14065 -0.00343 0.03761 -0.04875 -0.08657 140 2S -0.14965 0.00223 0.04295 -0.04231 -0.10181 141 19 O 1S -0.00439 0.00152 0.00621 0.00387 -0.00232 142 2S 0.00429 -0.00462 -0.01234 -0.00699 0.00182 143 2PX 0.17417 -0.06315 0.06116 0.10721 -0.07184 144 2PY 0.09806 -0.05439 -0.03248 -0.00043 -0.00155 145 2PZ 0.24706 -0.11964 0.06062 0.16853 -0.07464 146 3S 0.03605 0.00562 -0.02748 -0.02266 0.02597 147 3PX 0.13314 -0.04303 0.04361 0.07749 -0.06052 148 3PY 0.06139 -0.03934 -0.02185 0.00020 -0.00649 149 3PZ 0.16754 -0.08418 0.04205 0.12563 -0.06616 150 4XX 0.00450 -0.00313 0.00401 0.00661 0.00115 151 4YY -0.00624 0.00196 0.00166 0.00057 -0.00071 152 4ZZ -0.00321 0.00022 -0.00221 -0.00374 -0.00434 153 4XY -0.00616 0.00148 -0.00085 -0.00285 0.00244 154 4XZ 0.00109 -0.00036 0.00081 0.00132 0.00043 155 4YZ -0.01006 0.00528 -0.00312 -0.00633 0.00288 156 20 O 1S 0.00439 -0.00152 0.00621 0.00387 0.00232 157 2S -0.00429 0.00462 -0.01234 -0.00699 -0.00182 158 2PX -0.17417 0.06315 0.06115 0.10721 0.07184 159 2PY 0.09806 -0.05438 0.03248 0.00043 -0.00155 160 2PZ -0.24706 0.11965 0.06061 0.16853 0.07464 161 3S -0.03605 -0.00563 -0.02748 -0.02266 -0.02597 162 3PX -0.13314 0.04303 0.04361 0.07749 0.06052 163 3PY 0.06139 -0.03934 0.02186 -0.00020 -0.00649 164 3PZ -0.16754 0.08418 0.04204 0.12563 0.06616 165 4XX -0.00450 0.00313 0.00401 0.00661 -0.00115 166 4YY 0.00624 -0.00196 0.00166 0.00057 0.00071 167 4ZZ 0.00321 -0.00022 -0.00221 -0.00374 0.00434 168 4XY -0.00616 0.00148 0.00085 0.00285 0.00244 169 4XZ -0.00109 0.00036 0.00081 0.00132 -0.00043 170 4YZ -0.01006 0.00528 0.00312 0.00633 0.00288 171 21 C 1S 0.00000 0.00000 -0.00484 -0.00072 0.00000 172 2S 0.00000 0.00000 0.01384 0.00373 0.00000 173 2PX 0.00000 0.00000 -0.03283 -0.07144 0.00000 174 2PY -0.01498 -0.00166 0.00000 0.00000 -0.00727 175 2PZ 0.00000 0.00000 -0.08196 -0.11324 0.00000 176 3S 0.00000 0.00000 0.01437 0.00066 0.00000 177 3PX 0.00000 0.00000 -0.00506 -0.00274 0.00000 178 3PY 0.01074 -0.00629 0.00000 0.00000 -0.01237 179 3PZ 0.00000 0.00000 -0.02067 -0.01321 0.00000 180 4XX 0.00000 0.00000 0.00861 0.01578 0.00000 181 4YY 0.00000 0.00000 0.00006 0.00385 0.00000 182 4ZZ 0.00000 0.00000 -0.00936 -0.02004 0.00000 183 4XY 0.00913 -0.00345 0.00000 0.00000 -0.00582 184 4XZ 0.00000 0.00000 -0.00053 0.00060 0.00000 185 4YZ 0.01718 -0.00727 0.00000 0.00000 -0.00599 186 22 H 1S 0.00000 0.00000 -0.05915 -0.10842 0.00000 187 2S 0.00000 0.00000 -0.07279 -0.14169 0.00000 188 23 H 1S 0.00000 0.00000 0.04717 0.08542 0.00000 189 2S 0.00000 0.00000 0.05044 0.11073 0.00000 41 42 43 44 45 O V V V V Eigenvalues -- -0.18560 -0.00698 0.01018 0.08377 0.11232 1 1 C 1S -0.01562 -0.01167 0.05213 0.01389 -0.00961 2 2S 0.02638 0.03785 -0.11166 -0.04164 0.00097 3 2PX 0.21999 0.15872 -0.23725 -0.01561 0.06762 4 2PY 0.08633 0.03384 -0.07433 -0.03082 0.05608 5 2PZ 0.17708 0.09909 -0.20975 0.03479 -0.11985 6 3S 0.11587 -0.00280 -0.27488 -0.14080 0.29374 7 3PX 0.14335 0.20311 -0.31501 -0.07916 0.14868 8 3PY 0.07614 0.00777 -0.23626 -0.04986 0.12634 9 3PZ 0.13603 0.08004 -0.11703 0.10455 -0.27850 10 4XX 0.00838 -0.00552 0.00422 0.00188 0.00358 11 4YY -0.00091 0.00097 0.00406 -0.00079 -0.00558 12 4ZZ -0.01024 -0.00183 0.00642 0.00347 -0.00128 13 4XY -0.01162 -0.01369 -0.01143 0.00153 -0.00287 14 4XZ 0.00281 -0.01142 -0.00575 0.00155 -0.00412 15 4YZ -0.01258 -0.01066 -0.00816 -0.00258 0.01277 16 2 C 1S -0.01562 -0.01167 -0.05213 0.01389 -0.00961 17 2S 0.02638 0.03785 0.11166 -0.04164 0.00097 18 2PX 0.21998 0.15872 0.23726 -0.01561 0.06762 19 2PY -0.08633 -0.03384 -0.07433 0.03082 -0.05608 20 2PZ 0.17707 0.09909 0.20975 0.03479 -0.11985 21 3S 0.11587 -0.00281 0.27488 -0.14080 0.29374 22 3PX 0.14335 0.20311 0.31502 -0.07916 0.14868 23 3PY -0.07614 -0.00777 -0.23626 0.04986 -0.12634 24 3PZ 0.13603 0.08003 0.11703 0.10455 -0.27850 25 4XX 0.00838 -0.00552 -0.00422 0.00188 0.00358 26 4YY -0.00091 0.00097 -0.00406 -0.00079 -0.00558 27 4ZZ -0.01024 -0.00183 -0.00642 0.00347 -0.00128 28 4XY 0.01162 0.01369 -0.01143 -0.00153 0.00287 29 4XZ 0.00281 -0.01142 0.00575 0.00155 -0.00412 30 4YZ 0.01258 0.01066 -0.00816 0.00258 -0.01277 31 3 C 1S 0.00472 0.02869 0.00880 0.02361 -0.04189 32 2S -0.02221 -0.05169 -0.04382 -0.04893 0.06232 33 2PX -0.03707 0.29285 0.00771 0.00131 -0.03377 34 2PY 0.00639 -0.09315 -0.01678 0.07473 -0.08536 35 2PZ -0.02565 0.18153 0.01168 0.00262 -0.01081 36 3S 0.04326 -0.21353 0.08589 -0.26250 0.59798 37 3PX -0.01518 0.37275 0.00127 -0.00397 -0.12807 38 3PY 0.03920 -0.10312 0.02708 0.16916 -0.23990 39 3PZ -0.04474 0.21534 0.03732 0.04886 0.06928 40 4XX 0.01126 -0.00018 0.01993 -0.00062 -0.00326 41 4YY -0.00295 0.00195 -0.00423 0.00823 -0.00911 42 4ZZ -0.00571 0.00746 -0.01353 -0.00331 0.00293 43 4XY -0.00115 -0.00501 -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 0.00195 -0.00460 -0.00663 0.02283 -0.02045 47 2S -0.00985 0.00465 0.01376 -0.05093 0.02317 48 2PX 0.15351 -0.12040 0.20345 -0.03991 0.07622 49 2PY -0.02330 0.03531 -0.00586 0.03599 -0.05713 50 2PZ 0.11256 -0.10311 0.15780 0.02651 -0.09758 51 3S -0.02459 0.03352 -0.00390 -0.24330 0.42086 52 3PX 0.12912 -0.17270 0.30033 -0.08826 0.15507 53 3PY -0.00711 0.02148 -0.06009 0.06194 -0.11737 54 3PZ 0.08405 -0.14989 0.17051 0.09413 -0.19311 55 4XX 0.00252 -0.01610 -0.00011 -0.00056 0.00123 56 4YY -0.00188 0.00378 -0.00175 -0.00387 -0.00097 57 4ZZ -0.00269 0.00941 -0.00076 0.00528 -0.00295 58 4XY 0.00496 -0.00830 -0.01074 -0.00493 0.00732 59 4XZ 0.00085 0.00539 0.00099 -0.00230 0.00122 60 4YZ 0.00559 -0.01374 -0.00904 0.00596 -0.00807 61 5 C 1S 0.00195 -0.00460 0.00663 0.02283 -0.02045 62 2S -0.00985 0.00465 -0.01376 -0.05093 0.02317 63 2PX 0.15350 -0.12040 -0.20345 -0.03991 0.07622 64 2PY 0.02330 -0.03531 -0.00586 -0.03599 0.05713 65 2PZ 0.11256 -0.10311 -0.15780 0.02651 -0.09759 66 3S -0.02459 0.03352 0.00390 -0.24330 0.42086 67 3PX 0.12911 -0.17269 -0.30034 -0.08826 0.15507 68 3PY 0.00711 -0.02148 -0.06009 -0.06194 0.11738 69 3PZ 0.08405 -0.14989 -0.17051 0.09413 -0.19311 70 4XX 0.00252 -0.01610 0.00010 -0.00056 0.00123 71 4YY -0.00188 0.00378 0.00175 -0.00387 -0.00097 72 4ZZ -0.00269 0.00941 0.00076 0.00528 -0.00295 73 4XY -0.00496 0.00830 -0.01074 0.00493 -0.00732 74 4XZ 0.00085 0.00539 -0.00099 -0.00230 0.00122 75 4YZ -0.00559 0.01374 -0.00904 -0.00596 0.00807 76 6 C 1S 0.00472 0.02869 -0.00880 0.02361 -0.04189 77 2S -0.02221 -0.05169 0.04382 -0.04893 0.06232 78 2PX -0.03708 0.29286 -0.00771 0.00131 -0.03377 79 2PY -0.00639 0.09315 -0.01678 -0.07473 0.08536 80 2PZ -0.02565 0.18153 -0.01168 0.00262 -0.01081 81 3S 0.04326 -0.21353 -0.08590 -0.26250 0.59798 82 3PX -0.01519 0.37275 -0.00127 -0.00397 -0.12807 83 3PY -0.03920 0.10312 0.02708 -0.16916 0.23990 84 3PZ -0.04474 0.21534 -0.03731 0.04886 0.06928 85 4XX 0.01126 -0.00018 -0.01993 -0.00062 -0.00326 86 4YY -0.00295 0.00195 0.00423 0.00823 -0.00911 87 4ZZ -0.00571 0.00746 0.01353 -0.00331 0.00293 88 4XY 0.00115 0.00501 -0.00004 -0.00251 0.00055 89 4XZ 0.00523 0.00385 -0.00879 0.00656 0.00084 90 4YZ -0.00006 0.00467 -0.00027 -0.00384 -0.00171 91 7 H 1S -0.00985 0.02415 0.06324 0.00917 -0.03359 92 2S -0.04021 0.05985 0.35373 0.28048 -0.60427 93 8 H 1S 0.00341 -0.02131 -0.01092 0.02990 -0.02735 94 2S 0.00397 -0.06250 -0.06753 0.37780 -0.61072 95 9 H 1S 0.00341 -0.02131 0.01092 0.02990 -0.02735 96 2S 0.00397 -0.06250 0.06753 0.37780 -0.61072 97 10 H 1S -0.01304 0.01335 0.01335 0.02886 -0.02886 98 2S -0.00690 0.05555 0.01292 0.42857 -0.62102 99 11 H 1S -0.01304 0.01335 -0.01335 0.02886 -0.02886 100 2S -0.00690 0.05555 -0.01292 0.42857 -0.62102 101 12 H 1S -0.00985 0.02415 -0.06324 0.00917 -0.03359 102 2S -0.04021 0.05986 -0.35373 0.28048 -0.60427 103 13 C 1S 0.01156 -0.01412 -0.01543 0.05242 0.00917 104 2S -0.02704 0.02560 0.03231 -0.07735 -0.00297 105 2PX -0.00741 0.01028 0.02049 0.09420 0.10180 106 2PY 0.00756 -0.01790 0.02726 -0.05154 -0.02527 107 2PZ 0.04304 -0.02629 -0.05414 -0.08098 0.00527 108 3S -0.03915 0.12995 0.14388 -0.73840 -0.26446 109 3PX -0.01336 0.01222 0.05385 0.18146 0.21126 110 3PY 0.00261 0.01353 0.04798 -0.19728 -0.15829 111 3PZ 0.03374 -0.01986 -0.04199 -0.16114 0.07273 112 4XX 0.00183 0.00649 -0.00244 0.01073 0.00044 113 4YY -0.00255 0.00565 0.00081 -0.00368 -0.00066 114 4ZZ 0.00267 -0.01495 0.00076 0.00228 -0.00187 115 4XY 0.00040 0.00587 0.00101 -0.00322 -0.00055 116 4XZ 0.00393 -0.01388 -0.00244 -0.00026 -0.00082 117 4YZ 0.00100 -0.00203 -0.00226 0.00681 -0.00837 118 14 H 1S 0.01964 -0.06087 -0.01283 0.01248 -0.01630 119 2S 0.04988 -0.20040 -0.09827 0.34456 -0.17667 120 15 H 1S -0.00221 0.02834 -0.00551 0.03637 0.00734 121 2S -0.02550 0.04310 -0.00657 0.67028 0.34988 122 16 C 1S 0.01157 -0.01412 0.01543 0.05242 0.00917 123 2S -0.02704 0.02560 -0.03231 -0.07735 -0.00297 124 2PX -0.00741 0.01028 -0.02049 0.09420 0.10180 125 2PY -0.00756 0.01790 0.02726 0.05154 0.02527 126 2PZ 0.04304 -0.02629 0.05414 -0.08098 0.00527 127 3S -0.03915 0.12995 -0.14388 -0.73840 -0.26446 128 3PX -0.01336 0.01222 -0.05385 0.18146 0.21127 129 3PY -0.00261 -0.01353 0.04798 0.19728 0.15829 130 3PZ 0.03374 -0.01986 0.04199 -0.16114 0.07273 131 4XX 0.00183 0.00649 0.00244 0.01073 0.00044 132 4YY -0.00255 0.00565 -0.00081 -0.00368 -0.00066 133 4ZZ 0.00267 -0.01495 -0.00076 0.00228 -0.00187 134 4XY -0.00040 -0.00587 0.00101 0.00322 0.00055 135 4XZ 0.00393 -0.01388 0.00244 -0.00026 -0.00082 136 4YZ -0.00100 0.00203 -0.00226 -0.00681 0.00837 137 17 H 1S -0.00221 0.02834 0.00551 0.03637 0.00734 138 2S -0.02550 0.04310 0.00657 0.67028 0.34988 139 18 H 1S 0.01964 -0.06087 0.01283 0.01248 -0.01630 140 2S 0.04988 -0.20040 0.09827 0.34456 -0.17667 141 19 O 1S 0.00599 -0.00574 -0.01758 0.01155 -0.00907 142 2S -0.00549 0.00824 0.04331 -0.03193 0.00993 143 2PX -0.18580 -0.01614 0.12501 -0.01593 0.06024 144 2PY -0.02663 -0.01483 -0.01597 0.01250 -0.02720 145 2PZ -0.21709 -0.08074 0.08197 0.00352 -0.00487 146 3S -0.06523 0.07384 0.11214 -0.11304 0.12135 147 3PX -0.15618 -0.00520 0.10853 -0.03683 0.07007 148 3PY -0.01187 -0.02622 -0.00829 0.07048 -0.05134 149 3PZ -0.17791 -0.09791 0.09529 0.04660 0.02230 150 4XX 0.00410 0.00187 -0.01484 -0.00271 -0.00460 151 4YY 0.00348 -0.00090 0.00163 -0.00300 -0.00383 152 4ZZ 0.00104 -0.00593 0.00723 -0.00046 -0.00322 153 4XY 0.00705 -0.00053 -0.00326 0.00059 0.00353 154 4XZ 0.00027 -0.00120 0.00156 0.01157 0.00506 155 4YZ 0.00293 -0.00122 -0.00246 0.00326 0.00296 156 20 O 1S 0.00599 -0.00574 0.01758 0.01155 -0.00907 157 2S -0.00549 0.00824 -0.04331 -0.03193 0.00993 158 2PX -0.18579 -0.01613 -0.12501 -0.01593 0.06024 159 2PY 0.02663 0.01483 -0.01597 -0.01250 0.02720 160 2PZ -0.21709 -0.08074 -0.08197 0.00353 -0.00487 161 3S -0.06523 0.07384 -0.11214 -0.11304 0.12136 162 3PX -0.15618 -0.00520 -0.10853 -0.03683 0.07007 163 3PY 0.01187 0.02622 -0.00829 -0.07048 0.05134 164 3PZ -0.17791 -0.09791 -0.09529 0.04660 0.02230 165 4XX 0.00410 0.00187 0.01484 -0.00271 -0.00460 166 4YY 0.00348 -0.00090 -0.00163 -0.00300 -0.00383 167 4ZZ 0.00104 -0.00593 -0.00723 -0.00046 -0.00322 168 4XY -0.00705 0.00053 -0.00326 -0.00059 -0.00353 169 4XZ 0.00027 -0.00120 -0.00156 0.01157 0.00506 170 4YZ -0.00293 0.00122 -0.00246 -0.00326 -0.00296 171 21 C 1S -0.00840 -0.00001 0.00000 0.05871 0.04876 172 2S 0.02052 0.00332 0.00000 -0.10858 -0.07173 173 2PX 0.07240 0.00107 0.00000 0.05308 0.05283 174 2PY 0.00000 0.00000 -0.06594 0.00000 0.00000 175 2PZ 0.02597 -0.02192 0.00000 -0.19215 -0.16868 176 3S 0.04375 -0.02244 0.00000 -0.80854 -0.80821 177 3PX 0.01172 0.01856 0.00000 0.17804 0.14555 178 3PY 0.00000 0.00000 -0.11961 0.00000 0.00000 179 3PZ -0.05634 -0.04078 0.00000 -0.48237 -0.43496 180 4XX -0.01839 -0.00012 0.00000 0.01075 0.00338 181 4YY -0.00229 -0.00337 0.00000 0.00118 -0.00217 182 4ZZ 0.01982 0.00331 0.00000 0.00492 0.00639 183 4XY 0.00000 0.00000 0.01363 0.00000 0.00000 184 4XZ 0.00044 0.00052 0.00000 0.00824 0.00557 185 4YZ 0.00000 0.00000 0.00626 0.00000 0.00000 186 22 H 1S 0.08854 0.01615 0.00000 0.02913 0.04102 187 2S 0.16262 0.08576 0.00000 0.84991 0.84367 188 23 H 1S -0.09040 -0.00388 0.00000 0.03351 0.02902 189 2S -0.14838 -0.00368 0.00000 0.46171 0.42999 46 47 48 49 50 V V V V V Eigenvalues -- 0.11912 0.12247 0.12316 0.13517 0.14425 1 1 C 1S -0.04790 0.00508 0.00434 0.02436 0.04021 2 2S 0.10823 -0.00111 -0.02721 -0.02954 -0.08334 3 2PX 0.05920 -0.25296 -0.06302 -0.06633 0.11904 4 2PY 0.09248 0.04937 -0.00973 -0.09770 -0.05143 5 2PZ 0.10892 -0.05767 0.08016 0.17975 -0.10593 6 3S 0.37677 -0.13826 -0.07333 -0.54027 -0.46696 7 3PX 0.18369 -0.44325 -0.14770 -0.22743 0.28785 8 3PY 0.15739 0.23058 -0.04388 -0.24366 -0.21893 9 3PZ -0.02124 -0.07038 0.19172 0.38936 -0.20631 10 4XX -0.00752 0.00248 -0.00621 0.00003 0.00834 11 4YY 0.00154 0.00781 -0.00050 0.00529 -0.01141 12 4ZZ -0.00679 -0.00144 0.00663 0.00097 0.00472 13 4XY -0.00020 -0.01186 0.00433 0.01082 -0.01372 14 4XZ 0.00125 0.00906 0.00759 -0.00082 -0.01366 15 4YZ 0.00254 -0.00012 -0.01331 -0.01507 0.01041 16 2 C 1S 0.04790 -0.00508 0.00434 0.02436 0.04021 17 2S -0.10823 0.00112 -0.02720 -0.02954 -0.08334 18 2PX -0.05921 0.25296 -0.06299 -0.06633 0.11904 19 2PY 0.09248 0.04937 0.00973 0.09770 0.05143 20 2PZ -0.10892 0.05766 0.08017 0.17975 -0.10593 21 3S -0.37677 0.13826 -0.07331 -0.54028 -0.46695 22 3PX -0.18369 0.44326 -0.14765 -0.22743 0.28785 23 3PY 0.15740 0.23058 0.04390 0.24366 0.21893 24 3PZ 0.02125 0.07037 0.19173 0.38937 -0.20632 25 4XX 0.00752 -0.00248 -0.00621 0.00003 0.00834 26 4YY -0.00154 -0.00781 -0.00050 0.00529 -0.01141 27 4ZZ 0.00679 0.00144 0.00663 0.00097 0.00472 28 4XY -0.00020 -0.01186 -0.00433 -0.01082 0.01372 29 4XZ -0.00125 -0.00906 0.00759 -0.00082 -0.01366 30 4YZ 0.00254 -0.00012 0.01331 0.01507 -0.01041 31 3 C 1S -0.01237 0.01048 0.00406 -0.00803 -0.01005 32 2S 0.02179 -0.01832 -0.01703 0.02440 0.01468 33 2PX -0.20603 0.13258 0.04459 -0.02642 -0.03316 34 2PY 0.06447 -0.07547 -0.06378 -0.02523 0.00245 35 2PZ -0.09787 0.06801 -0.02118 -0.02581 0.01730 36 3S 0.13089 -0.09206 -0.00540 0.04237 0.14316 37 3PX -0.26446 0.25823 0.07841 -0.11183 0.05457 38 3PY 0.13866 -0.21426 -0.13782 -0.09396 -0.01963 39 3PZ -0.14762 0.01036 0.04874 -0.18962 -0.00185 40 4XX 0.00750 -0.00135 0.00520 -0.00037 -0.00387 41 4YY 0.00256 -0.00274 -0.00864 -0.00710 0.00507 42 4ZZ -0.01370 0.00797 0.00157 0.00656 -0.00245 43 4XY 0.00782 -0.00720 -0.01057 0.00574 -0.00282 44 4XZ -0.00239 0.00428 -0.00487 -0.00070 -0.00048 45 4YZ 0.00723 -0.00385 0.00075 0.00432 -0.00346 46 4 C 1S -0.01465 0.01351 -0.03545 -0.01151 0.01725 47 2S 0.02911 -0.03723 0.05297 0.02269 -0.04594 48 2PX 0.20593 -0.06549 0.03814 0.04251 0.01094 49 2PY 0.01529 -0.01225 -0.04985 -0.01762 0.02897 50 2PZ 0.17800 -0.06673 -0.10323 0.00501 0.07775 51 3S 0.08380 -0.07696 0.54933 0.13706 -0.28573 52 3PX 0.36851 -0.17512 0.09593 0.06046 -0.04038 53 3PY -0.00913 0.03601 -0.19847 -0.03509 0.12837 54 3PZ 0.25833 -0.09588 -0.21208 -0.02197 0.10550 55 4XX 0.00907 -0.00568 -0.00671 -0.00170 0.00609 56 4YY -0.00702 0.00495 0.00454 0.00139 -0.00422 57 4ZZ -0.00668 0.00223 -0.00542 -0.00081 -0.00410 58 4XY -0.00973 0.00315 0.00605 0.00813 -0.00192 59 4XZ -0.00163 0.00402 0.00391 0.00211 0.00252 60 4YZ -0.00497 0.00070 -0.00978 0.00140 0.00318 61 5 C 1S 0.01465 -0.01350 -0.03545 -0.01151 0.01725 62 2S -0.02911 0.03722 0.05297 0.02269 -0.04594 63 2PX -0.20593 0.06548 0.03815 0.04251 0.01094 64 2PY 0.01529 -0.01226 0.04984 0.01762 -0.02897 65 2PZ -0.17800 0.06674 -0.10322 0.00501 0.07775 66 3S -0.08378 0.07691 0.54934 0.13706 -0.28574 67 3PX -0.36851 0.17511 0.09596 0.06047 -0.04038 68 3PY -0.00912 0.03599 0.19848 0.03509 -0.12837 69 3PZ -0.25834 0.09590 -0.21207 -0.02197 0.10551 70 4XX -0.00907 0.00568 -0.00671 -0.00170 0.00609 71 4YY 0.00702 -0.00495 0.00453 0.00139 -0.00422 72 4ZZ 0.00668 -0.00223 -0.00542 -0.00081 -0.00410 73 4XY -0.00973 0.00315 -0.00605 -0.00813 0.00192 74 4XZ 0.00163 -0.00402 0.00391 0.00211 0.00252 75 4YZ -0.00496 0.00070 0.00978 -0.00140 -0.00318 76 6 C 1S 0.01237 -0.01048 0.00406 -0.00803 -0.01005 77 2S -0.02179 0.01832 -0.01703 0.02440 0.01468 78 2PX 0.20603 -0.13259 0.04457 -0.02642 -0.03316 79 2PY 0.06447 -0.07547 0.06377 0.02523 -0.00245 80 2PZ 0.09787 -0.06800 -0.02119 -0.02581 0.01730 81 3S -0.13089 0.09206 -0.00538 0.04237 0.14314 82 3PX 0.26446 -0.25824 0.07838 -0.11183 0.05457 83 3PY 0.13867 -0.21427 0.13780 0.09396 0.01962 84 3PZ 0.14762 -0.01036 0.04874 -0.18962 -0.00185 85 4XX -0.00750 0.00135 0.00520 -0.00037 -0.00387 86 4YY -0.00256 0.00275 -0.00864 -0.00710 0.00507 87 4ZZ 0.01370 -0.00797 0.00157 0.00656 -0.00245 88 4XY 0.00782 -0.00720 0.01057 -0.00574 0.00282 89 4XZ 0.00239 -0.00428 -0.00487 -0.00070 -0.00048 90 4YZ 0.00723 -0.00385 -0.00075 -0.00432 0.00346 91 7 H 1S -0.04700 -0.03204 0.03820 0.05617 -0.00895 92 2S -0.41337 -0.11526 0.35428 0.94724 0.08383 93 8 H 1S -0.01558 -0.00630 -0.05053 -0.02521 0.00283 94 2S -0.04220 0.04731 -0.70995 -0.19428 0.35522 95 9 H 1S 0.01558 0.00631 -0.05053 -0.02521 0.00283 96 2S 0.04218 -0.04724 -0.70996 -0.19428 0.35523 97 10 H 1S -0.01959 0.01732 -0.02652 -0.02468 0.01511 98 2S -0.09550 0.20005 -0.19801 -0.22104 -0.05292 99 11 H 1S 0.01959 -0.01731 -0.02652 -0.02468 0.01511 100 2S 0.09549 -0.20003 -0.19803 -0.22104 -0.05293 101 12 H 1S 0.04700 0.03204 0.03820 0.05617 -0.00895 102 2S 0.41338 0.11523 0.35428 0.94724 0.08382 103 13 C 1S 0.00833 0.02074 0.01869 -0.03954 -0.00564 104 2S -0.00743 -0.00487 -0.01714 0.04340 0.00173 105 2PX 0.04537 0.02616 -0.11933 0.11342 -0.09439 106 2PY 0.05791 -0.05325 -0.02587 0.06766 0.01916 107 2PZ -0.02611 -0.01159 -0.14049 0.08816 0.01750 108 3S -0.13256 -0.44602 -0.40080 0.70591 0.14590 109 3PX 0.14953 0.08479 -0.34171 0.30773 -0.28097 110 3PY 0.15406 -0.10139 -0.13713 0.19200 0.03914 111 3PZ -0.04689 0.01277 -0.36394 0.20459 0.03926 112 4XX 0.00359 0.00002 0.00593 -0.00342 -0.00483 113 4YY 0.00717 -0.00138 0.00094 -0.00205 -0.00170 114 4ZZ -0.00919 0.00880 -0.00219 -0.00287 0.00399 115 4XY 0.00507 -0.00125 0.01139 -0.00253 0.00577 116 4XZ -0.00813 0.00745 0.01280 0.00043 -0.00028 117 4YZ -0.00191 0.00065 0.00399 -0.00403 -0.00053 118 14 H 1S -0.04421 0.03881 0.06347 -0.02405 0.01626 119 2S -0.19255 0.21015 0.88258 -0.81904 0.17546 120 15 H 1S 0.02395 -0.01421 -0.03253 0.00353 -0.02959 121 2S 0.18989 0.24072 -0.18550 -0.04966 -0.45207 122 16 C 1S -0.00833 -0.02074 0.01869 -0.03954 -0.00564 123 2S 0.00743 0.00487 -0.01714 0.04340 0.00173 124 2PX -0.04537 -0.02615 -0.11933 0.11342 -0.09439 125 2PY 0.05791 -0.05325 0.02587 -0.06766 -0.01916 126 2PZ 0.02610 0.01160 -0.14049 0.08816 0.01750 127 3S 0.13254 0.44606 -0.40076 0.70591 0.14591 128 3PX -0.14954 -0.08476 -0.34171 0.30773 -0.28097 129 3PY 0.15407 -0.10141 0.13711 -0.19200 -0.03914 130 3PZ 0.04688 -0.01274 -0.36395 0.20459 0.03926 131 4XX -0.00359 -0.00002 0.00593 -0.00342 -0.00483 132 4YY -0.00717 0.00138 0.00095 -0.00205 -0.00170 133 4ZZ 0.00919 -0.00880 -0.00219 -0.00287 0.00399 134 4XY 0.00507 -0.00125 -0.01139 0.00253 -0.00577 135 4XZ 0.00813 -0.00745 0.01280 0.00043 -0.00028 136 4YZ -0.00191 0.00065 -0.00399 0.00403 0.00053 137 17 H 1S -0.02395 0.01421 -0.03252 0.00353 -0.02959 138 2S -0.18989 -0.24071 -0.18552 -0.04966 -0.45207 139 18 H 1S 0.04421 -0.03882 0.06346 -0.02405 0.01626 140 2S 0.19257 -0.21024 0.88255 -0.81904 0.17545 141 19 O 1S 0.04260 0.06514 0.01860 0.00215 -0.04986 142 2S -0.06990 -0.08804 -0.03274 -0.01866 0.07550 143 2PX 0.00245 0.09467 -0.07725 -0.07941 0.09371 144 2PY 0.07185 0.08528 0.04930 -0.00015 -0.07186 145 2PZ -0.07589 -0.04149 0.01110 0.03754 -0.10705 146 3S -0.45052 -0.81182 -0.23663 -0.00195 0.59840 147 3PX 0.05216 0.13191 -0.12567 -0.14094 0.12566 148 3PY 0.13525 0.21615 0.10615 0.02024 -0.15270 149 3PZ -0.13552 -0.06293 0.01445 0.05124 -0.19971 150 4XX 0.02431 0.02269 0.00577 -0.00589 -0.02161 151 4YY 0.00318 0.01304 -0.00001 -0.00295 -0.01109 152 4ZZ 0.01358 0.03598 0.00574 -0.00765 -0.01768 153 4XY -0.00078 0.00037 -0.00395 -0.00725 -0.00874 154 4XZ -0.00912 -0.00777 0.00538 0.00309 0.00242 155 4YZ 0.00294 0.00176 -0.00259 0.00064 -0.00282 156 20 O 1S -0.04260 -0.06514 0.01860 0.00215 -0.04986 157 2S 0.06990 0.08804 -0.03273 -0.01866 0.07550 158 2PX -0.00246 -0.09467 -0.07726 -0.07941 0.09371 159 2PY 0.07185 0.08528 -0.04929 0.00015 0.07186 160 2PZ 0.07589 0.04149 0.01110 0.03754 -0.10705 161 3S 0.45051 0.81184 -0.23657 -0.00195 0.59840 162 3PX -0.05216 -0.13190 -0.12568 -0.14094 0.12566 163 3PY 0.13524 0.21616 -0.10614 -0.02024 0.15270 164 3PZ 0.13552 0.06293 0.01445 0.05124 -0.19971 165 4XX -0.02431 -0.02269 0.00577 -0.00589 -0.02161 166 4YY -0.00318 -0.01304 -0.00001 -0.00295 -0.01109 167 4ZZ -0.01357 -0.03598 0.00574 -0.00765 -0.01768 168 4XY -0.00078 0.00037 0.00395 0.00725 0.00874 169 4XZ 0.00912 0.00777 0.00538 0.00309 0.00242 170 4YZ 0.00294 0.00176 0.00259 -0.00064 0.00282 171 21 C 1S 0.00000 0.00000 0.00921 0.05798 0.06464 172 2S 0.00000 0.00000 -0.04197 -0.09739 -0.09110 173 2PX 0.00000 0.00000 0.09013 0.07805 0.24160 174 2PY 0.23007 0.34540 0.00001 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.03450 0.03552 0.13742 176 3S 0.00000 0.00001 -0.08857 -0.79245 -0.99141 177 3PX 0.00000 -0.00002 0.33390 0.13265 0.61734 178 3PY 0.62938 0.88680 0.00003 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.07166 0.07121 0.31648 180 4XX 0.00000 0.00000 0.00473 0.00394 0.01355 181 4YY 0.00000 0.00000 0.00131 0.00813 -0.00620 182 4ZZ 0.00000 0.00000 -0.00352 0.00275 0.00523 183 4XY -0.01721 -0.01384 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00444 -0.00494 -0.00598 185 4YZ 0.01059 0.02304 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 -0.01378 0.00904 0.02092 187 2S 0.00000 0.00001 -0.15942 0.24464 -0.09549 188 23 H 1S 0.00000 0.00000 0.01439 0.00763 0.07888 189 2S 0.00001 -0.00002 0.46024 0.60005 1.41867 51 52 53 54 55 V V V V V Eigenvalues -- 0.14526 0.16393 0.17145 0.17764 0.19270 1 1 C 1S 0.03254 -0.05603 -0.00421 0.01471 0.06492 2 2S -0.03711 0.09076 0.02009 -0.01509 -0.09272 3 2PX 0.05912 -0.06264 -0.05498 -0.02281 0.02886 4 2PY -0.01606 0.12462 0.02512 0.03168 -0.01157 5 2PZ 0.13293 0.01293 0.08414 0.07710 0.20242 6 3S -0.64253 0.90691 -0.10804 -0.25955 -1.08642 7 3PX -0.00627 -0.24230 -0.12494 -0.14351 -0.17565 8 3PY 0.04392 0.44245 -0.09458 -0.02076 -0.01104 9 3PZ 0.45766 0.03533 0.16413 0.30154 0.68628 10 4XX 0.00607 -0.00892 -0.00392 0.00026 0.00873 11 4YY 0.00410 0.00892 -0.00009 0.01067 0.01364 12 4ZZ -0.00078 -0.00114 0.00303 -0.00264 -0.00178 13 4XY 0.00230 0.00446 0.00854 -0.00277 0.00029 14 4XZ -0.00459 0.01415 0.00532 -0.00130 -0.00699 15 4YZ 0.00612 -0.01153 -0.00979 0.00384 0.01064 16 2 C 1S -0.03254 -0.05603 -0.00421 -0.01471 -0.06492 17 2S 0.03711 0.09076 0.02009 0.01509 0.09272 18 2PX -0.05912 -0.06264 -0.05498 0.02281 -0.02886 19 2PY -0.01606 -0.12462 -0.02512 0.03168 -0.01157 20 2PZ -0.13293 0.01293 0.08414 -0.07710 -0.20242 21 3S 0.64253 0.90691 -0.10804 0.25955 1.08642 22 3PX 0.00627 -0.24230 -0.12494 0.14351 0.17565 23 3PY 0.04392 -0.44245 0.09458 -0.02076 -0.01104 24 3PZ -0.45766 0.03533 0.16413 -0.30154 -0.68627 25 4XX -0.00607 -0.00892 -0.00392 -0.00026 -0.00873 26 4YY -0.00410 0.00892 -0.00009 -0.01067 -0.01364 27 4ZZ 0.00078 -0.00114 0.00303 0.00264 0.00178 28 4XY 0.00230 -0.00446 -0.00854 -0.00277 0.00029 29 4XZ 0.00459 0.01415 0.00532 0.00130 0.00699 30 4YZ 0.00612 0.01153 0.00979 0.00384 0.01064 31 3 C 1S -0.04504 -0.01266 -0.08275 0.00568 -0.01579 32 2S 0.06345 0.01524 0.09997 -0.03023 0.05217 33 2PX -0.07406 0.05075 0.02184 -0.03490 -0.00213 34 2PY -0.20025 -0.00287 -0.07370 0.05774 0.07584 35 2PZ -0.04238 0.03323 0.10837 0.03265 -0.03258 36 3S 0.86612 0.25008 1.44151 0.00771 -0.00367 37 3PX -0.12928 0.09740 0.09375 -0.07802 0.09254 38 3PY -0.60178 0.06323 -0.25374 0.33147 0.02665 39 3PZ -0.00882 0.04832 0.22290 0.36981 -0.04470 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 -0.00448 -0.01048 0.00257 -0.00738 43 4XY -0.00121 0.00341 -0.00076 0.00455 -0.00474 44 4XZ -0.00652 0.00018 0.00084 -0.00032 0.00377 45 4YZ -0.00442 -0.00438 -0.00510 -0.01351 0.00339 46 4 C 1S -0.02425 0.01338 0.03541 -0.04224 0.05798 47 2S 0.03790 0.03154 -0.03286 0.06379 -0.07425 48 2PX 0.06623 -0.07765 -0.04055 -0.02967 -0.07377 49 2PY -0.06666 0.04452 0.08615 0.01236 0.06309 50 2PZ -0.06127 0.00044 0.03380 -0.05979 0.06881 51 3S 0.58888 -0.40500 -0.73726 0.58810 -0.87210 52 3PX 0.25313 -0.05580 -0.05165 0.06326 -0.24389 53 3PY 0.06281 0.14022 0.35788 -0.05291 0.20172 54 3PZ -0.23344 0.02439 0.02647 -0.27862 0.43125 55 4XX -0.00007 -0.00263 -0.00020 0.00112 0.00856 56 4YY 0.00806 0.00632 -0.00048 -0.01160 0.00478 57 4ZZ -0.00483 0.00782 0.00684 0.00001 0.00218 58 4XY -0.00076 -0.00554 -0.00139 0.00028 0.00198 59 4XZ -0.00005 -0.00676 -0.00326 -0.00108 -0.00454 60 4YZ 0.00102 -0.00217 -0.00822 0.00325 -0.00261 61 5 C 1S 0.02425 0.01338 0.03541 0.04223 -0.05798 62 2S -0.03790 0.03154 -0.03286 -0.06379 0.07425 63 2PX -0.06623 -0.07765 -0.04055 0.02967 0.07377 64 2PY -0.06666 -0.04452 -0.08615 0.01236 0.06309 65 2PZ 0.06127 0.00044 0.03380 0.05979 -0.06880 66 3S -0.58887 -0.40500 -0.73727 -0.58809 0.87210 67 3PX -0.25313 -0.05580 -0.05165 -0.06326 0.24389 68 3PY 0.06281 -0.14022 -0.35788 -0.05291 0.20172 69 3PZ 0.23343 0.02439 0.02647 0.27862 -0.43125 70 4XX 0.00007 -0.00263 -0.00020 -0.00112 -0.00856 71 4YY -0.00806 0.00632 -0.00048 0.01160 -0.00478 72 4ZZ 0.00483 0.00782 0.00684 -0.00001 -0.00218 73 4XY -0.00076 0.00554 0.00139 0.00028 0.00198 74 4XZ 0.00005 -0.00676 -0.00326 0.00108 0.00454 75 4YZ 0.00102 0.00217 0.00822 0.00325 -0.00261 76 6 C 1S 0.04504 -0.01266 -0.08275 -0.00567 0.01579 77 2S -0.06345 0.01524 0.09997 0.03023 -0.05217 78 2PX 0.07406 0.05075 0.02184 0.03490 0.00213 79 2PY -0.20025 0.00287 0.07370 0.05774 0.07584 80 2PZ 0.04238 0.03323 0.10837 -0.03265 0.03258 81 3S -0.86612 0.25008 1.44151 -0.00773 0.00368 82 3PX 0.12928 0.09740 0.09375 0.07802 -0.09254 83 3PY -0.60178 -0.06323 0.25374 0.33147 0.02665 84 3PZ 0.00882 0.04832 0.22289 -0.36982 0.04470 85 4XX 0.00488 0.00115 -0.00527 0.00107 0.00506 86 4YY 0.00187 0.00042 -0.00065 0.00267 -0.01113 87 4ZZ 0.00171 -0.00448 -0.01048 -0.00257 0.00738 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 0.00438 0.00510 -0.01351 0.00339 91 7 H 1S -0.00140 -0.00541 0.04190 -0.00115 0.01946 92 2S 0.65979 -0.66003 0.31967 0.36297 1.14789 93 8 H 1S -0.00643 0.03751 0.01579 -0.00137 0.04624 94 2S -0.59136 0.33068 0.60726 -0.47258 1.01103 95 9 H 1S 0.00643 0.03751 0.01579 0.00137 -0.04624 96 2S 0.59135 0.33068 0.60727 0.47257 -1.01102 97 10 H 1S 0.02117 0.00174 -0.02365 0.01784 -0.04065 98 2S 1.13255 -0.02742 -0.85858 -0.32477 -0.14154 99 11 H 1S -0.02117 0.00174 -0.02365 -0.01784 0.04065 100 2S -1.13255 -0.02742 -0.85858 0.32478 0.14154 101 12 H 1S 0.00140 -0.00541 0.04190 0.00115 -0.01946 102 2S -0.65980 -0.66003 0.31967 -0.36297 -1.14789 103 13 C 1S 0.00351 -0.00216 0.03762 -0.11464 0.00885 104 2S 0.02171 -0.01212 -0.03722 0.09202 0.00018 105 2PX 0.03251 0.01442 -0.09145 -0.00514 0.01480 106 2PY -0.07347 0.00886 -0.04080 -0.04680 0.09719 107 2PZ -0.05407 0.08221 0.06554 0.10605 -0.01347 108 3S -0.25061 0.12651 -0.62764 2.23047 -0.21141 109 3PX 0.11653 -0.05107 -0.31196 0.07393 0.16608 110 3PY 0.05582 0.03174 -0.28545 -0.46122 0.31966 111 3PZ -0.09326 0.16421 0.27489 0.21920 0.05643 112 4XX 0.00716 0.00076 -0.00269 -0.00209 -0.00103 113 4YY -0.00723 -0.00271 -0.00300 -0.01886 0.00931 114 4ZZ 0.00476 -0.00096 0.01230 -0.00191 -0.00651 115 4XY 0.00052 0.00302 0.01178 0.00046 0.00074 116 4XZ -0.00385 0.00085 -0.00567 -0.00039 0.00394 117 4YZ 0.00037 -0.00451 -0.01440 0.00167 -0.00249 118 14 H 1S -0.00952 -0.00344 -0.00525 -0.00689 -0.01236 119 2S 0.07281 -0.20822 0.31199 -0.87865 -0.19322 120 15 H 1S 0.02072 -0.01301 -0.03988 -0.00289 -0.00959 121 2S 0.25989 -0.16305 -0.16955 -0.67503 -0.00798 122 16 C 1S -0.00351 -0.00216 0.03762 0.11464 -0.00885 123 2S -0.02171 -0.01212 -0.03723 -0.09201 -0.00018 124 2PX -0.03251 0.01442 -0.09145 0.00514 -0.01480 125 2PY -0.07347 -0.00886 0.04080 -0.04680 0.09719 126 2PZ 0.05407 0.08221 0.06554 -0.10605 0.01347 127 3S 0.25060 0.12650 -0.62766 -2.23046 0.21140 128 3PX -0.11653 -0.05107 -0.31196 -0.07393 -0.16608 129 3PY 0.05582 -0.03174 0.28545 -0.46122 0.31966 130 3PZ 0.09325 0.16421 0.27488 -0.21920 -0.05643 131 4XX -0.00716 0.00076 -0.00269 0.00209 0.00103 132 4YY 0.00723 -0.00271 -0.00300 0.01886 -0.00931 133 4ZZ -0.00476 -0.00096 0.01230 0.00191 0.00651 134 4XY 0.00052 -0.00302 -0.01178 0.00046 0.00074 135 4XZ 0.00385 0.00085 -0.00567 0.00039 -0.00394 136 4YZ 0.00037 0.00451 0.01440 0.00167 -0.00249 137 17 H 1S -0.02072 -0.01301 -0.03988 0.00289 0.00959 138 2S -0.25988 -0.16305 -0.16954 0.67503 0.00798 139 18 H 1S 0.00952 -0.00344 -0.00525 0.00689 0.01236 140 2S -0.07281 -0.20822 0.31200 0.87864 0.19322 141 19 O 1S 0.00157 0.05755 -0.00661 0.01642 0.01095 142 2S 0.00094 -0.07983 0.00186 -0.00463 -0.00172 143 2PX -0.01522 -0.12667 -0.05178 0.04750 0.02945 144 2PY -0.03313 0.10940 -0.03795 0.04558 -0.01504 145 2PZ -0.05335 0.05940 0.08784 -0.00971 -0.07346 146 3S -0.05055 -0.76975 0.12853 -0.29178 -0.22628 147 3PX -0.04417 -0.28546 -0.07406 0.02561 -0.00312 148 3PY -0.00803 0.23083 -0.10400 0.08173 0.04536 149 3PZ -0.07018 0.10959 0.13214 -0.04115 -0.11082 150 4XX 0.00040 0.01875 0.00123 0.01399 0.00844 151 4YY 0.00368 0.01341 -0.00495 0.00846 0.00864 152 4ZZ -0.00379 0.02487 -0.00494 0.00870 -0.00015 153 4XY 0.00258 0.00367 -0.00285 0.00136 0.00432 154 4XZ 0.00419 0.00496 -0.00568 -0.00708 0.00279 155 4YZ 0.00053 -0.00851 0.00258 -0.00567 -0.00325 156 20 O 1S -0.00157 0.05755 -0.00661 -0.01641 -0.01095 157 2S -0.00094 -0.07983 0.00186 0.00463 0.00172 158 2PX 0.01522 -0.12667 -0.05178 -0.04750 -0.02945 159 2PY -0.03313 -0.10940 0.03795 0.04558 -0.01504 160 2PZ 0.05335 0.05940 0.08784 0.00971 0.07346 161 3S 0.05054 -0.76976 0.12853 0.29178 0.22628 162 3PX 0.04417 -0.28546 -0.07406 -0.02561 0.00312 163 3PY -0.00803 -0.23083 0.10400 0.08173 0.04536 164 3PZ 0.07018 0.10959 0.13214 0.04115 0.11083 165 4XX -0.00040 0.01875 0.00123 -0.01399 -0.00844 166 4YY -0.00368 0.01341 -0.00495 -0.00846 -0.00864 167 4ZZ 0.00379 0.02487 -0.00494 -0.00870 0.00015 168 4XY 0.00258 -0.00367 0.00285 0.00136 0.00432 169 4XZ -0.00419 0.00496 -0.00568 0.00708 -0.00279 170 4YZ 0.00053 0.00851 -0.00258 -0.00567 -0.00325 171 21 C 1S 0.00000 -0.01534 0.03929 0.00000 0.00000 172 2S 0.00000 0.02427 -0.06081 0.00000 0.00000 173 2PX 0.00000 0.32173 -0.16667 0.00000 0.00000 174 2PY 0.00263 0.00000 0.00000 0.14832 0.09936 175 2PZ 0.00000 0.03865 -0.04020 0.00000 0.00000 176 3S 0.00001 -0.02612 -0.49215 0.00000 0.00000 177 3PX 0.00000 0.87125 -0.49148 0.00000 0.00000 178 3PY 0.00434 0.00000 0.00000 0.27913 0.20279 179 3PZ 0.00000 0.03095 -0.04326 0.00000 0.00000 180 4XX 0.00000 0.00021 -0.00487 0.00000 0.00000 181 4YY 0.00000 0.00355 0.01189 0.00000 0.00000 182 4ZZ 0.00000 -0.00501 -0.00249 0.00000 0.00000 183 4XY 0.00083 0.00000 0.00000 -0.01055 -0.00499 184 4XZ 0.00000 0.01429 -0.00539 0.00000 0.00000 185 4YZ -0.00494 0.00000 0.00000 0.00686 -0.00109 186 22 H 1S 0.00000 -0.02512 -0.00114 0.00000 0.00000 187 2S 0.00000 -0.41364 0.49946 0.00000 0.00000 188 23 H 1S 0.00000 0.01466 -0.03337 0.00000 0.00000 189 2S -0.00001 1.06692 -0.40216 0.00000 0.00000 56 57 58 59 60 V V V V V Eigenvalues -- 0.19772 0.20300 0.22882 0.23611 0.24270 1 1 C 1S 0.04181 -0.03038 -0.00035 0.00396 -0.01075 2 2S -0.08467 0.07268 -0.02227 -0.00833 0.01297 3 2PX 0.05172 -0.00311 0.02248 0.02247 0.00379 4 2PY -0.12671 0.03616 -0.00689 -0.02654 0.02176 5 2PZ -0.00521 -0.08509 -0.00855 -0.03443 -0.02702 6 3S -0.53983 0.21787 0.07299 0.01538 0.18135 7 3PX 0.08829 0.10870 -0.04741 -0.00920 0.02862 8 3PY -0.20087 0.38267 0.05317 -0.08060 0.06305 9 3PZ -0.03332 -0.37443 0.00280 -0.06886 -0.00098 10 4XX 0.00132 -0.00560 -0.00473 0.00671 -0.00380 11 4YY 0.00335 -0.00683 0.00172 -0.00169 0.00111 12 4ZZ 0.00173 0.00097 0.00022 -0.00122 0.00002 13 4XY -0.01154 -0.00104 -0.00282 0.00372 0.00426 14 4XZ 0.00065 0.00172 0.00252 -0.00325 -0.00118 15 4YZ 0.01108 -0.00490 0.00438 -0.00103 0.00160 16 2 C 1S 0.04181 0.03038 -0.00035 -0.00396 -0.01075 17 2S -0.08467 -0.07268 -0.02227 0.00833 0.01297 18 2PX 0.05172 0.00311 0.02248 -0.02247 0.00379 19 2PY 0.12671 0.03616 0.00689 -0.02654 -0.02176 20 2PZ -0.00521 0.08509 -0.00855 0.03443 -0.02702 21 3S -0.53983 -0.21787 0.07299 -0.01538 0.18135 22 3PX 0.08829 -0.10870 -0.04741 0.00920 0.02862 23 3PY 0.20087 0.38267 -0.05317 -0.08060 -0.06305 24 3PZ -0.03332 0.37443 0.00280 0.06886 -0.00098 25 4XX 0.00132 0.00560 -0.00473 -0.00671 -0.00380 26 4YY 0.00335 0.00683 0.00172 0.00169 0.00111 27 4ZZ 0.00173 -0.00097 0.00022 0.00122 0.00002 28 4XY 0.01154 -0.00104 0.00282 0.00372 -0.00426 29 4XZ 0.00065 -0.00172 0.00252 0.00325 -0.00118 30 4YZ -0.01108 -0.00490 -0.00438 -0.00103 -0.00160 31 3 C 1S -0.03052 -0.05348 0.01375 0.01868 0.04414 32 2S 0.04322 0.08632 -0.01766 -0.04378 -0.05050 33 2PX -0.01101 -0.00093 -0.00245 0.02466 0.03683 34 2PY -0.05152 -0.10985 0.09693 -0.00657 -0.18689 35 2PZ 0.01429 0.00156 0.07659 -0.00961 -0.19042 36 3S 0.45844 0.53116 -0.24944 -0.23454 -0.78721 37 3PX -0.11773 -0.07112 -0.00376 0.38209 0.21717 38 3PY -0.24765 -0.72516 0.46555 0.09204 -0.92308 39 3PZ 0.08133 -0.08533 0.24929 -0.03435 -0.84091 40 4XX -0.00320 0.00113 0.00296 0.00542 0.00220 41 4YY -0.00205 -0.00461 -0.00280 -0.00545 -0.00022 42 4ZZ -0.00168 -0.00894 0.00262 0.00162 0.00441 43 4XY 0.00205 -0.00611 -0.00355 -0.01081 -0.00140 44 4XZ 0.00275 0.00723 -0.00845 -0.01200 -0.00158 45 4YZ 0.00097 0.00099 -0.00727 -0.00211 0.00512 46 4 C 1S 0.00900 0.05857 -0.01513 0.01034 0.00712 47 2S -0.03621 -0.13599 0.05889 -0.00292 0.00077 48 2PX 0.01195 -0.02094 -0.00031 -0.04969 -0.06868 49 2PY 0.01277 0.01848 -0.02958 -0.05792 0.09813 50 2PZ 0.02816 0.07634 0.02540 -0.02007 0.09166 51 3S -0.05660 -0.42259 0.20942 -0.49187 -0.42318 52 3PX -0.04407 -0.39510 0.02951 -0.03043 -0.24390 53 3PY 0.08894 0.33950 -0.20611 -0.27308 0.33921 54 3PZ 0.06020 0.60393 -0.09238 -0.10195 0.42532 55 4XX 0.00059 -0.00135 0.00293 -0.00345 -0.00451 56 4YY -0.00388 0.01272 0.00467 0.00661 0.01299 57 4ZZ 0.00042 -0.00281 -0.00175 -0.00601 -0.00899 58 4XY 0.00419 0.00326 -0.00698 0.00146 0.00908 59 4XZ 0.00138 0.00016 -0.00310 0.00589 0.01242 60 4YZ -0.00225 -0.00691 0.00326 0.00123 0.00231 61 5 C 1S 0.00900 -0.05857 -0.01513 -0.01034 0.00712 62 2S -0.03621 0.13599 0.05889 0.00292 0.00077 63 2PX 0.01195 0.02094 -0.00031 0.04969 -0.06868 64 2PY -0.01277 0.01848 0.02958 -0.05792 -0.09813 65 2PZ 0.02816 -0.07634 0.02540 0.02006 0.09166 66 3S -0.05660 0.42259 0.20943 0.49187 -0.42317 67 3PX -0.04407 0.39510 0.02951 0.03043 -0.24390 68 3PY -0.08894 0.33950 0.20611 -0.27308 -0.33921 69 3PZ 0.06020 -0.60393 -0.09238 0.10195 0.42533 70 4XX 0.00059 0.00135 0.00293 0.00345 -0.00451 71 4YY -0.00388 -0.01272 0.00467 -0.00661 0.01299 72 4ZZ 0.00042 0.00281 -0.00175 0.00601 -0.00899 73 4XY -0.00419 0.00326 0.00698 0.00146 -0.00908 74 4XZ 0.00138 -0.00016 -0.00310 -0.00589 0.01242 75 4YZ 0.00225 -0.00691 -0.00326 0.00123 -0.00231 76 6 C 1S -0.03052 0.05348 0.01375 -0.01868 0.04414 77 2S 0.04322 -0.08632 -0.01766 0.04378 -0.05050 78 2PX -0.01101 0.00093 -0.00245 -0.02466 0.03683 79 2PY 0.05152 -0.10985 -0.09693 -0.00657 0.18689 80 2PZ 0.01429 -0.00156 0.07659 0.00961 -0.19043 81 3S 0.45844 -0.53116 -0.24944 0.23455 -0.78721 82 3PX -0.11773 0.07112 -0.00377 -0.38209 0.21716 83 3PY 0.24765 -0.72516 -0.46555 0.09204 0.92308 84 3PZ 0.08133 0.08534 0.24929 0.03436 -0.84091 85 4XX -0.00320 -0.00113 0.00296 -0.00542 0.00220 86 4YY -0.00205 0.00461 -0.00279 0.00545 -0.00022 87 4ZZ -0.00168 0.00894 0.00262 -0.00162 0.00441 88 4XY -0.00205 -0.00611 0.00355 -0.01081 0.00140 89 4XZ 0.00275 -0.00723 -0.00845 0.01200 -0.00158 90 4YZ -0.00097 0.00099 0.00727 -0.00211 -0.00512 91 7 H 1S -0.03839 -0.01577 -0.00970 0.00108 0.00209 92 2S 0.39862 -0.72288 -0.02381 -0.03203 -0.19435 93 8 H 1S -0.00959 0.01866 0.01218 -0.02154 -0.03808 94 2S 0.17267 1.03814 -0.22540 -0.06065 0.72504 95 9 H 1S -0.00959 -0.01866 0.01218 0.02154 -0.03808 96 2S 0.17267 -1.03814 -0.22541 0.06064 0.72504 97 10 H 1S -0.01809 0.06790 0.00167 0.02132 -0.00968 98 2S -0.47625 1.08991 0.63222 -0.17191 -0.74632 99 11 H 1S -0.01809 -0.06790 0.00167 -0.02132 -0.00968 100 2S -0.47625 -1.08991 0.63222 0.17190 -0.74631 101 12 H 1S -0.03839 0.01577 -0.00970 -0.00108 0.00209 102 2S 0.39862 0.72287 -0.02381 0.03203 -0.19435 103 13 C 1S 0.01304 -0.06057 -0.03032 0.01377 -0.06141 104 2S -0.02079 0.09495 0.05562 -0.02945 0.05118 105 2PX 0.03110 0.01283 -0.10587 0.29937 -0.01827 106 2PY -0.00831 0.00088 0.06494 -0.01538 0.07075 107 2PZ 0.03357 0.03294 0.07398 0.13078 -0.09953 108 3S -0.24290 0.66966 0.47709 -0.12111 1.28341 109 3PX 0.05979 -0.05717 -0.48392 1.18908 0.09089 110 3PY -0.14224 0.13785 0.19366 -0.13325 0.33048 111 3PZ 0.06384 0.24745 0.33083 0.49721 -0.81938 112 4XX 0.00235 -0.00183 -0.01518 -0.00176 0.01034 113 4YY -0.00335 -0.01050 0.00252 0.00077 0.00190 114 4ZZ 0.00080 -0.00519 0.00881 0.00322 -0.02402 115 4XY 0.00134 -0.00160 0.01772 0.00761 0.00047 116 4XZ -0.00081 0.00284 0.00780 -0.00144 0.01384 117 4YZ -0.00611 0.00323 -0.00287 0.00410 0.01218 118 14 H 1S -0.00472 -0.01118 0.03974 -0.02671 0.06575 119 2S -0.02469 -0.52571 -0.10361 -1.20368 0.08370 120 15 H 1S -0.00012 -0.02508 -0.12078 0.03224 0.02531 121 2S 0.16775 -0.45038 -1.03029 1.22649 -0.28747 122 16 C 1S 0.01304 0.06057 -0.03032 -0.01377 -0.06141 123 2S -0.02079 -0.09495 0.05562 0.02944 0.05118 124 2PX 0.03110 -0.01283 -0.10587 -0.29937 -0.01828 125 2PY 0.00831 0.00088 -0.06494 -0.01537 -0.07075 126 2PZ 0.03357 -0.03294 0.07398 -0.13078 -0.09953 127 3S -0.24289 -0.66966 0.47709 0.12109 1.28341 128 3PX 0.05979 0.05717 -0.48394 -1.18907 0.09087 129 3PY 0.14224 0.13785 -0.19366 -0.13324 -0.33048 130 3PZ 0.06384 -0.24745 0.33083 -0.49720 -0.81938 131 4XX 0.00235 0.00183 -0.01518 0.00176 0.01034 132 4YY -0.00335 0.01050 0.00252 -0.00077 0.00190 133 4ZZ 0.00080 0.00519 0.00881 -0.00322 -0.02402 134 4XY -0.00134 -0.00160 -0.01772 0.00761 -0.00047 135 4XZ -0.00081 -0.00284 0.00780 0.00144 0.01384 136 4YZ 0.00611 0.00323 0.00287 0.00410 -0.01218 137 17 H 1S -0.00012 0.02508 -0.12078 -0.03224 0.02531 138 2S 0.16776 0.45038 -1.03031 -1.22647 -0.28748 139 18 H 1S -0.00472 0.01118 0.03974 0.02671 0.06575 140 2S -0.02469 0.52571 -0.10360 1.20368 0.08372 141 19 O 1S 0.03749 -0.00430 0.01619 -0.00883 0.00524 142 2S -0.03953 -0.00494 -0.01846 0.01045 -0.01016 143 2PX 0.15569 -0.01291 0.08244 -0.02233 0.00939 144 2PY 0.22883 0.01101 0.09694 -0.05037 0.02976 145 2PZ -0.14118 0.05272 0.06630 -0.01948 0.02143 146 3S -0.57344 0.12540 -0.25940 0.10850 -0.07790 147 3PX 0.29293 -0.01057 0.10247 -0.00070 0.00972 148 3PY 0.48979 -0.05532 0.16629 -0.03395 0.03097 149 3PZ -0.27035 0.08391 0.09330 0.00127 0.04680 150 4XX 0.01430 -0.00336 0.00695 -0.01039 0.00300 151 4YY 0.01411 -0.00250 0.01073 -0.00269 0.00060 152 4ZZ 0.01611 -0.00485 -0.00058 -0.00182 -0.00038 153 4XY 0.00568 -0.00008 0.00764 -0.00085 0.00249 154 4XZ 0.01375 -0.00552 0.00622 0.00775 0.00279 155 4YZ -0.00570 -0.00204 -0.00120 0.00675 0.00218 156 20 O 1S 0.03749 0.00430 0.01620 0.00883 0.00524 157 2S -0.03953 0.00494 -0.01846 -0.01044 -0.01016 158 2PX 0.15569 0.01291 0.08244 0.02233 0.00939 159 2PY -0.22883 0.01101 -0.09694 -0.05037 -0.02976 160 2PZ -0.14118 -0.05272 0.06630 0.01948 0.02143 161 3S -0.57344 -0.12540 -0.25941 -0.10850 -0.07790 162 3PX 0.29293 0.01057 0.10247 0.00070 0.00972 163 3PY -0.48979 -0.05532 -0.16630 -0.03394 -0.03097 164 3PZ -0.27035 -0.08391 0.09330 -0.00127 0.04680 165 4XX 0.01430 0.00336 0.00695 0.01039 0.00300 166 4YY 0.01412 0.00250 0.01073 0.00269 0.00060 167 4ZZ 0.01611 0.00485 -0.00058 0.00182 -0.00038 168 4XY -0.00568 -0.00008 -0.00764 -0.00085 -0.00249 169 4XZ 0.01375 0.00552 0.00622 -0.00775 0.00279 170 4YZ 0.00570 -0.00204 0.00120 0.00675 -0.00218 171 21 C 1S -0.13282 0.00000 0.00662 0.00000 0.01030 172 2S 0.21011 0.00000 0.02134 0.00000 -0.03314 173 2PX 0.15664 0.00000 0.02959 0.00000 -0.03792 174 2PY 0.00000 0.00204 0.00000 -0.12162 0.00000 175 2PZ -0.15340 0.00000 -0.33564 0.00000 -0.14382 176 3S 1.81063 0.00000 -0.42633 0.00000 -0.21204 177 3PX 0.64683 0.00000 -0.08730 0.00000 -0.07294 178 3PY 0.00000 -0.15175 0.00000 -0.09321 0.00000 179 3PZ -0.60672 0.00000 -0.96123 0.00001 -0.34992 180 4XX 0.01715 0.00000 -0.00423 0.00000 -0.00518 181 4YY -0.03106 0.00000 -0.00886 0.00000 -0.00536 182 4ZZ 0.00856 0.00000 0.02076 0.00000 0.00600 183 4XY 0.00000 -0.00317 0.00000 0.01283 0.00000 184 4XZ 0.02412 0.00000 0.00910 0.00000 0.00451 185 4YZ 0.00000 0.00102 0.00000 -0.00585 0.00000 186 22 H 1S 0.02872 0.00000 0.11751 0.00000 0.04407 187 2S -0.41030 0.00000 1.47477 -0.00001 0.62158 188 23 H 1S 0.05440 0.00000 -0.02911 0.00000 -0.01528 189 2S -0.30237 0.00000 -0.22110 0.00000 -0.13111 61 62 63 64 65 V V V V V Eigenvalues -- 0.24913 0.30440 0.31361 0.32662 0.37011 1 1 C 1S 0.00707 0.00781 -0.00108 0.02271 0.11315 2 2S 0.00511 -0.00678 -0.00358 0.00751 -0.12508 3 2PX -0.02771 0.03863 0.00297 -0.12826 0.15939 4 2PY 0.04312 -0.00905 -0.00519 0.24084 0.14951 5 2PZ -0.00631 0.05660 0.01930 0.08479 -0.22710 6 3S -0.28467 -0.08991 -0.02082 -1.25388 -2.60179 7 3PX -0.05050 0.02115 0.03797 -0.70820 1.07730 8 3PY 0.29415 -0.17730 -0.02077 1.79262 1.77009 9 3PZ -0.02153 0.08851 -0.02235 0.29521 -0.98279 10 4XX -0.00157 -0.00080 -0.00318 -0.00393 -0.00537 11 4YY 0.00599 0.00272 0.00030 0.02512 0.02342 12 4ZZ -0.00244 0.00104 0.00006 -0.00402 -0.01366 13 4XY -0.00176 -0.00143 0.00387 -0.00482 -0.00227 14 4XZ 0.00086 -0.00204 -0.00058 0.01351 -0.01115 15 4YZ 0.00090 0.00266 0.00372 -0.00093 -0.00423 16 2 C 1S -0.00707 -0.00781 -0.00108 -0.02271 -0.11315 17 2S -0.00511 0.00678 -0.00358 -0.00751 0.12508 18 2PX 0.02771 -0.03863 0.00297 0.12826 -0.15939 19 2PY 0.04312 -0.00905 0.00519 0.24084 0.14951 20 2PZ 0.00631 -0.05660 0.01930 -0.08480 0.22710 21 3S 0.28467 0.08992 -0.02082 1.25388 2.60179 22 3PX 0.05050 -0.02115 0.03797 0.70820 -1.07731 23 3PY 0.29415 -0.17731 0.02077 1.79262 1.77009 24 3PZ 0.02153 -0.08851 -0.02235 -0.29521 0.98279 25 4XX 0.00157 0.00080 -0.00318 0.00393 0.00537 26 4YY -0.00599 -0.00272 0.00030 -0.02512 -0.02342 27 4ZZ 0.00244 -0.00104 0.00006 0.00402 0.01366 28 4XY -0.00176 -0.00143 -0.00387 -0.00482 -0.00227 29 4XZ -0.00086 0.00204 -0.00058 -0.01351 0.01115 30 4YZ 0.00090 0.00266 -0.00372 -0.00093 -0.00423 31 3 C 1S -0.00501 0.05457 0.04993 0.01185 -0.00112 32 2S -0.01910 -0.06380 -0.05071 -0.01458 -0.03164 33 2PX 0.03124 -0.03930 -0.16616 -0.08602 0.01369 34 2PY -0.04682 -0.04805 -0.13033 0.02965 -0.00220 35 2PZ 0.03007 -0.15527 0.17505 -0.02974 0.00025 36 3S 0.41585 -1.37441 -1.44213 -0.20266 0.12340 37 3PX 0.26625 -0.06245 -1.06979 0.07207 -0.13152 38 3PY -0.13599 -0.13862 -0.85991 0.07388 0.14661 39 3PZ -0.13977 -0.67793 1.01345 -0.10961 0.14440 40 4XX -0.00287 0.00928 0.01015 -0.00493 0.00618 41 4YY 0.00719 -0.02213 -0.00263 0.00404 -0.00162 42 4ZZ -0.00575 0.01851 -0.00222 0.00471 -0.00847 43 4XY -0.01179 -0.01093 0.01299 -0.00593 -0.00777 44 4XZ 0.00619 -0.01088 -0.00236 0.00062 -0.00587 45 4YZ 0.01997 0.01501 -0.01318 -0.00465 -0.00688 46 4 C 1S 0.00770 0.04918 -0.06115 -0.00224 -0.00127 47 2S -0.01975 -0.05120 0.03525 -0.00793 0.02212 48 2PX 0.06480 0.02936 -0.10793 0.06935 -0.02058 49 2PY -0.01804 -0.19977 -0.04490 0.03372 -0.03085 50 2PZ -0.15615 0.04039 0.10440 0.05970 0.00494 51 3S -0.14000 -1.39766 1.97728 -0.08277 -0.13835 52 3PX 0.35992 -0.00152 -0.90324 0.13327 -0.04287 53 3PY -0.17723 -1.37842 -0.73200 -0.09917 -0.22949 54 3PZ -0.57670 0.29826 0.79017 -0.00001 -0.03212 55 4XX -0.00610 -0.00237 -0.01765 0.01091 -0.00253 56 4YY 0.00104 0.02470 0.00742 -0.01042 0.00338 57 4ZZ 0.00483 -0.01758 -0.00116 -0.00624 0.00019 58 4XY -0.00241 0.00353 -0.02269 -0.00382 -0.00020 59 4XZ 0.00234 0.01439 0.01145 0.00795 -0.00113 60 4YZ 0.00641 0.00071 0.02428 -0.00019 -0.00158 61 5 C 1S -0.00770 -0.04918 -0.06115 0.00224 0.00127 62 2S 0.01975 0.05120 0.03525 0.00793 -0.02212 63 2PX -0.06480 -0.02936 -0.10793 -0.06935 0.02058 64 2PY -0.01804 -0.19977 0.04490 0.03372 -0.03085 65 2PZ 0.15615 -0.04039 0.10440 -0.05970 -0.00494 66 3S 0.14000 1.39766 1.97727 0.08277 0.13835 67 3PX -0.35991 0.00152 -0.90324 -0.13327 0.04287 68 3PY -0.17723 -1.37842 0.73201 -0.09916 -0.22949 69 3PZ 0.57669 -0.29825 0.79017 0.00001 0.03212 70 4XX 0.00610 0.00237 -0.01765 -0.01091 0.00253 71 4YY -0.00104 -0.02470 0.00742 0.01042 -0.00338 72 4ZZ -0.00483 0.01758 -0.00116 0.00624 -0.00019 73 4XY -0.00241 0.00353 0.02269 -0.00382 -0.00020 74 4XZ -0.00234 -0.01439 0.01145 -0.00795 0.00113 75 4YZ 0.00641 0.00071 -0.02428 -0.00019 -0.00158 76 6 C 1S 0.00501 -0.05457 0.04993 -0.01184 0.00112 77 2S 0.01910 0.06380 -0.05071 0.01458 0.03164 78 2PX -0.03124 0.03930 -0.16616 0.08602 -0.01369 79 2PY -0.04682 -0.04805 0.13033 0.02965 -0.00220 80 2PZ -0.03007 0.15527 0.17505 0.02974 -0.00025 81 3S -0.41584 1.37439 -1.44213 0.20266 -0.12340 82 3PX -0.26625 0.06244 -1.06979 -0.07207 0.13153 83 3PY -0.13599 -0.13861 0.85991 0.07388 0.14661 84 3PZ 0.13977 0.67792 1.01345 0.10961 -0.14440 85 4XX 0.00287 -0.00928 0.01015 0.00493 -0.00618 86 4YY -0.00719 0.02213 -0.00263 -0.00404 0.00162 87 4ZZ 0.00575 -0.01851 -0.00222 -0.00471 0.00847 88 4XY -0.01179 -0.01093 -0.01299 -0.00593 -0.00777 89 4XZ -0.00619 0.01088 -0.00236 -0.00062 0.00587 90 4YZ 0.01997 0.01501 0.01318 -0.00465 -0.00688 91 7 H 1S -0.00772 0.01326 -0.01278 -0.02447 0.06636 92 2S -0.09415 0.28199 0.02669 -0.34157 -0.96142 93 8 H 1S -0.00070 -0.06446 0.08430 -0.04224 0.00084 94 2S -0.70167 -0.13197 0.19511 -0.06225 -0.05953 95 9 H 1S 0.00070 0.06445 0.08430 0.04224 -0.00084 96 2S 0.70167 0.13197 0.19511 0.06225 0.05953 97 10 H 1S -0.04857 0.09266 -0.02681 -0.01842 -0.00913 98 2S 0.14693 -0.07471 -0.43586 -0.18357 -0.11053 99 11 H 1S 0.04857 -0.09266 -0.02681 0.01842 0.00913 100 2S -0.14693 0.07471 -0.43586 0.18357 0.11053 101 12 H 1S 0.00772 -0.01326 -0.01278 0.02447 -0.06636 102 2S 0.09415 -0.28199 0.02669 0.34157 0.96141 103 13 C 1S 0.04248 0.02516 0.01175 0.00099 -0.00753 104 2S -0.04862 -0.02438 -0.00765 -0.00884 -0.00491 105 2PX -0.03232 -0.14621 -0.02914 0.00390 -0.00999 106 2PY 0.32590 -0.14214 -0.07101 -0.06987 -0.01892 107 2PZ 0.12554 0.20179 0.02884 0.00693 -0.05848 108 3S -0.69587 -0.42732 -0.49254 -0.01381 0.20472 109 3PX -0.14515 -0.58967 0.15252 0.00212 -0.00974 110 3PY 1.37299 -0.47712 -0.29470 -0.28799 -0.14406 111 3PZ 0.45341 0.90103 0.04826 0.03203 -0.24749 112 4XX -0.01494 0.00164 -0.00572 0.00479 -0.00054 113 4YY 0.02628 -0.00810 0.01240 -0.00497 -0.00126 114 4ZZ -0.00596 0.01033 -0.00591 -0.00218 -0.00275 115 4XY -0.00264 -0.00240 -0.00663 -0.00051 -0.00136 116 4XZ 0.00093 -0.01344 0.00627 -0.00208 -0.01220 117 4YZ 0.00509 0.00512 -0.02348 -0.00169 -0.00198 118 14 H 1S -0.03645 -0.01799 -0.04193 0.00550 -0.02144 119 2S -0.53294 0.09856 0.07683 0.09641 0.19825 120 15 H 1S -0.05919 0.00900 -0.03394 0.01516 0.03028 121 2S -0.65887 -0.47092 0.15172 0.11624 0.11301 122 16 C 1S -0.04248 -0.02516 0.01175 -0.00099 0.00753 123 2S 0.04862 0.02438 -0.00765 0.00884 0.00491 124 2PX 0.03232 0.14621 -0.02914 -0.00390 0.00999 125 2PY 0.32590 -0.14214 0.07101 -0.06987 -0.01892 126 2PZ -0.12554 -0.20179 0.02884 -0.00693 0.05849 127 3S 0.69587 0.42732 -0.49254 0.01381 -0.20471 128 3PX 0.14515 0.58968 0.15252 -0.00212 0.00974 129 3PY 1.37299 -0.47712 0.29470 -0.28799 -0.14406 130 3PZ -0.45341 -0.90104 0.04826 -0.03203 0.24749 131 4XX 0.01494 -0.00164 -0.00572 -0.00479 0.00054 132 4YY -0.02628 0.00810 0.01240 0.00497 0.00126 133 4ZZ 0.00596 -0.01033 -0.00591 0.00218 0.00275 134 4XY -0.00264 -0.00240 0.00663 -0.00051 -0.00136 135 4XZ -0.00093 0.01344 0.00627 0.00208 0.01220 136 4YZ 0.00509 0.00512 0.02348 -0.00169 -0.00198 137 17 H 1S 0.05919 -0.00900 -0.03394 -0.01516 -0.03028 138 2S 0.65887 0.47092 0.15172 -0.11624 -0.11301 139 18 H 1S 0.03645 0.01799 -0.04193 -0.00550 0.02144 140 2S 0.53293 -0.09856 0.07683 -0.09641 -0.19825 141 19 O 1S 0.00212 -0.00068 -0.00131 0.01841 -0.04211 142 2S -0.00233 0.01331 -0.02280 -0.05337 0.03817 143 2PX 0.01729 0.03937 -0.03687 -0.18593 0.17937 144 2PY 0.00796 0.02599 -0.03327 -0.08113 -0.01776 145 2PZ 0.03255 -0.00833 -0.01286 0.15780 -0.16675 146 3S -0.00721 -0.01932 0.09573 -0.17098 0.92175 147 3PX -0.01092 0.04512 -0.00255 -0.44744 0.39720 148 3PY -0.01790 0.03116 -0.03093 -0.21302 -0.29196 149 3PZ 0.04113 -0.04909 -0.00678 0.41034 -0.27620 150 4XX 0.00244 0.00766 -0.00359 -0.00467 -0.02429 151 4YY 0.00397 0.00385 -0.00885 0.00902 0.00077 152 4ZZ -0.00188 -0.00047 -0.01008 -0.00491 -0.01834 153 4XY 0.00586 -0.00004 0.00149 0.02044 0.02168 154 4XZ -0.00771 -0.00505 0.00142 0.00121 -0.01204 155 4YZ -0.00537 -0.00456 0.00267 -0.01789 -0.01720 156 20 O 1S -0.00212 0.00068 -0.00131 -0.01841 0.04211 157 2S 0.00233 -0.01331 -0.02280 0.05337 -0.03817 158 2PX -0.01729 -0.03937 -0.03687 0.18593 -0.17937 159 2PY 0.00796 0.02599 0.03327 -0.08113 -0.01776 160 2PZ -0.03255 0.00833 -0.01286 -0.15780 0.16675 161 3S 0.00721 0.01932 0.09573 0.17098 -0.92175 162 3PX 0.01092 -0.04512 -0.00255 0.44744 -0.39720 163 3PY -0.01790 0.03116 0.03093 -0.21302 -0.29196 164 3PZ -0.04113 0.04909 -0.00678 -0.41034 0.27620 165 4XX -0.00244 -0.00766 -0.00359 0.00467 0.02429 166 4YY -0.00397 -0.00385 -0.00885 -0.00902 -0.00077 167 4ZZ 0.00188 0.00047 -0.01008 0.00491 0.01834 168 4XY 0.00586 -0.00004 -0.00149 0.02044 0.02168 169 4XZ 0.00771 0.00505 0.00142 -0.00121 0.01204 170 4YZ -0.00537 -0.00456 -0.00267 -0.01789 -0.01720 171 21 C 1S 0.00000 0.00000 0.00678 0.00000 0.00000 172 2S 0.00000 0.00000 -0.02251 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00885 0.00000 0.00000 174 2PY 0.09116 0.07177 0.00000 -0.03518 0.31616 175 2PZ 0.00000 0.00000 0.02878 0.00000 0.00000 176 3S 0.00000 0.00000 -0.05177 0.00000 0.00000 177 3PX 0.00000 0.00000 -0.03582 0.00000 0.00000 178 3PY -0.07857 0.09382 0.00000 -0.95905 -0.10116 179 3PZ 0.00000 0.00000 0.05969 0.00000 0.00000 180 4XX 0.00000 0.00000 -0.00469 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00334 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00190 0.00000 0.00000 183 4XY -0.00724 -0.00631 0.00000 0.00645 -0.01098 184 4XZ 0.00000 0.00000 -0.00288 0.00000 0.00000 185 4YZ 0.00156 0.00332 0.00000 -0.00986 0.01508 186 22 H 1S 0.00000 0.00000 0.00720 0.00000 0.00000 187 2S 0.00000 0.00000 -0.06135 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 -0.01419 0.00000 0.00000 189 2S 0.00000 0.00000 0.04276 0.00000 0.00000 66 67 68 69 70 V V V V V Eigenvalues -- 0.43216 0.47398 0.47794 0.49140 0.50827 1 1 C 1S 0.00852 -0.00397 -0.00860 -0.00100 0.02782 2 2S -0.00022 -0.21680 0.06365 0.08100 0.01559 3 2PX 0.01228 -0.05384 -0.10263 -0.19434 0.16411 4 2PY 0.01549 0.31620 0.06957 0.02005 -0.20550 5 2PZ 0.02131 0.10327 0.11323 -0.10978 -0.29654 6 3S -0.24253 0.06163 -0.06717 -0.02904 -0.07284 7 3PX -0.06029 0.04795 -0.10797 0.22589 -0.16272 8 3PY 0.09757 -0.42483 0.15086 0.02414 0.19087 9 3PZ -0.03028 -0.22563 0.09971 0.13215 0.32439 10 4XX -0.00107 0.00758 0.00261 0.00456 -0.00943 11 4YY 0.00314 -0.07465 0.00905 0.00701 0.01804 12 4ZZ -0.00220 0.02591 -0.00882 0.00179 0.03211 13 4XY -0.00293 -0.00274 -0.00245 0.01433 -0.02749 14 4XZ 0.00122 0.02769 0.00470 -0.00537 -0.02621 15 4YZ 0.00143 0.00263 -0.00129 -0.02036 -0.00774 16 2 C 1S -0.00852 -0.00397 0.00860 -0.00100 0.02782 17 2S 0.00022 -0.21680 -0.06365 0.08100 0.01559 18 2PX -0.01229 -0.05384 0.10263 -0.19433 0.16411 19 2PY 0.01549 -0.31620 0.06957 -0.02005 0.20550 20 2PZ -0.02131 0.10327 -0.11323 -0.10979 -0.29654 21 3S 0.24253 0.06163 0.06717 -0.02903 -0.07285 22 3PX 0.06030 0.04795 0.10796 0.22589 -0.16272 23 3PY 0.09757 0.42483 0.15086 -0.02413 -0.19087 24 3PZ 0.03028 -0.22563 -0.09971 0.13215 0.32439 25 4XX 0.00107 0.00758 -0.00261 0.00456 -0.00943 26 4YY -0.00314 -0.07465 -0.00905 0.00701 0.01804 27 4ZZ 0.00220 0.02591 0.00882 0.00179 0.03211 28 4XY -0.00293 0.00274 -0.00245 -0.01433 0.02749 29 4XZ -0.00122 0.02769 -0.00470 -0.00537 -0.02621 30 4YZ 0.00143 -0.00263 -0.00129 0.02036 0.00774 31 3 C 1S 0.08007 0.00722 0.04116 0.00014 0.00066 32 2S -0.05679 -0.09487 0.01175 -0.02343 0.13261 33 2PX 0.11021 0.04991 -0.05357 -0.24889 0.09748 34 2PY -0.12928 -0.06153 -0.05970 0.00815 0.00608 35 2PZ -0.14485 -0.02287 0.19039 0.19368 -0.07397 36 3S -2.35151 0.00826 -2.13701 -0.14994 0.00457 37 3PX -0.28463 -0.03950 -1.64540 0.47748 -0.05984 38 3PY -1.87574 0.04102 -0.91894 0.00708 0.10280 39 3PZ -0.57152 0.19474 1.79564 -0.34730 0.17753 40 4XX 0.00040 -0.00233 0.02196 -0.01141 0.00872 41 4YY 0.00201 0.01230 -0.00825 0.00914 0.00641 42 4ZZ -0.00843 -0.02264 -0.01412 0.01044 0.00570 43 4XY 0.01699 -0.01243 0.00693 -0.02814 0.01023 44 4XZ 0.01029 0.00884 -0.01369 0.01362 -0.02766 45 4YZ -0.00523 -0.01337 -0.01281 0.02801 -0.00006 46 4 C 1S -0.09297 -0.00200 -0.03356 0.00378 0.00423 47 2S 0.03026 -0.05789 0.01631 -0.06460 0.33218 48 2PX -0.04082 0.09827 -0.16369 0.12700 -0.08401 49 2PY 0.15074 -0.04975 -0.22077 0.24792 0.03555 50 2PZ 0.11609 0.12618 0.11092 -0.13647 0.06454 51 3S 3.56247 0.19057 1.45004 0.00062 -0.36878 52 3PX -1.02308 -0.08338 -1.81169 -0.14161 0.06515 53 3PY 2.25587 -0.03305 -1.70945 -0.36906 -0.01858 54 3PZ 1.26279 -0.11807 1.45089 0.15607 -0.07969 55 4XX 0.00255 0.00698 -0.01396 -0.01029 0.00995 56 4YY -0.00686 -0.00880 0.02035 0.02343 0.04656 57 4ZZ 0.00742 -0.00205 0.00210 -0.01746 0.01515 58 4XY 0.00892 -0.00696 0.00316 -0.01908 0.00379 59 4XZ -0.00498 0.00168 0.00251 0.01941 -0.03193 60 4YZ -0.00824 0.00591 -0.00461 0.01975 -0.00084 61 5 C 1S 0.09297 -0.00200 0.03356 0.00378 0.00423 62 2S -0.03026 -0.05789 -0.01631 -0.06460 0.33218 63 2PX 0.04082 0.09827 0.16369 0.12700 -0.08401 64 2PY 0.15074 0.04975 -0.22077 -0.24792 -0.03555 65 2PZ -0.11609 0.12618 -0.11092 -0.13647 0.06454 66 3S -3.56247 0.19056 -1.45004 0.00060 -0.36879 67 3PX 1.02308 -0.08337 1.81169 -0.14159 0.06515 68 3PY 2.25586 0.03306 -1.70946 0.36904 0.01858 69 3PZ -1.26279 -0.11808 -1.45090 0.15605 -0.07969 70 4XX -0.00255 0.00698 0.01396 -0.01029 0.00995 71 4YY 0.00686 -0.00880 -0.02035 0.02343 0.04656 72 4ZZ -0.00742 -0.00205 -0.00210 -0.01746 0.01515 73 4XY 0.00892 0.00696 0.00316 0.01908 -0.00379 74 4XZ 0.00498 0.00168 -0.00251 0.01941 -0.03193 75 4YZ -0.00824 -0.00591 -0.00461 -0.01975 0.00084 76 6 C 1S -0.08007 0.00722 -0.04116 0.00014 0.00066 77 2S 0.05679 -0.09487 -0.01175 -0.02343 0.13261 78 2PX -0.11021 0.04991 0.05357 -0.24889 0.09748 79 2PY -0.12928 0.06153 -0.05970 -0.00815 -0.00608 80 2PZ 0.14485 -0.02287 -0.19039 0.19368 -0.07397 81 3S 2.35150 0.00827 2.13702 -0.14992 0.00458 82 3PX 0.28462 -0.03950 1.64539 0.47750 -0.05983 83 3PY -1.87574 -0.04103 -0.91895 -0.00710 -0.10281 84 3PZ 0.57152 0.19474 -1.79564 -0.34732 0.17752 85 4XX -0.00040 -0.00233 -0.02196 -0.01141 0.00872 86 4YY -0.00201 0.01230 0.00825 0.00914 0.00641 87 4ZZ 0.00843 -0.02264 0.01412 0.01044 0.00570 88 4XY 0.01699 0.01243 0.00693 0.02814 -0.01023 89 4XZ -0.01029 0.00884 0.01369 0.01362 -0.02766 90 4YZ -0.00523 0.01337 -0.01281 -0.02801 0.00006 91 7 H 1S 0.00192 -0.07807 -0.02197 0.08502 0.19780 92 2S 0.07236 -0.02443 0.02999 -0.08755 0.04201 93 8 H 1S -0.04079 0.00362 -0.03607 0.01157 0.07751 94 2S 1.03640 -0.07834 0.42435 -0.04197 0.04276 95 9 H 1S 0.04079 0.00362 0.03607 0.01157 0.07751 96 2S -1.03640 -0.07834 -0.42435 -0.04198 0.04276 97 10 H 1S -0.08372 0.07550 0.03346 0.01001 0.02072 98 2S 0.74070 0.00044 0.21710 0.02519 0.07762 99 11 H 1S 0.08372 0.07550 -0.03346 0.01001 0.02072 100 2S -0.74070 0.00043 -0.21710 0.02519 0.07762 101 12 H 1S -0.00192 -0.07807 0.02197 0.08502 0.19780 102 2S -0.07237 -0.02443 -0.02999 -0.08755 0.04200 103 13 C 1S 0.05781 -0.00521 0.00860 -0.00042 -0.00110 104 2S 0.02158 -0.06903 -0.00006 -0.06014 -0.00086 105 2PX 0.01442 0.16217 0.01028 0.07811 0.21364 106 2PY -0.02798 0.05309 0.18915 0.29531 0.02109 107 2PZ 0.08586 0.16457 -0.15362 -0.04035 0.00815 108 3S -1.82650 0.05275 -0.03552 0.21154 -0.08718 109 3PX -0.50868 -0.23970 -0.06449 -0.13929 -0.28007 110 3PY 0.40605 -0.05059 1.14331 -0.30666 -0.05911 111 3PZ 1.62438 -0.14297 -0.40064 0.03675 0.01675 112 4XX -0.01907 -0.00219 0.00424 0.01281 -0.00775 113 4YY -0.00215 -0.01654 0.00721 -0.06119 -0.00619 114 4ZZ 0.02746 -0.00827 -0.01038 0.03539 0.00308 115 4XY 0.00208 0.02137 0.00247 0.01227 0.02779 116 4XZ -0.01028 0.02768 -0.02007 -0.00815 0.04331 117 4YZ 0.00175 0.01508 0.00794 -0.01223 0.00194 118 14 H 1S -0.05924 0.13996 -0.06618 0.02996 0.16999 119 2S -0.28283 -0.06704 0.03733 -0.04892 -0.06071 120 15 H 1S -0.05304 -0.08406 0.07743 0.02337 -0.14640 121 2S -0.17297 -0.08901 -0.11370 -0.07996 -0.02151 122 16 C 1S -0.05781 -0.00521 -0.00860 -0.00042 -0.00110 123 2S -0.02158 -0.06903 0.00006 -0.06014 -0.00086 124 2PX -0.01442 0.16217 -0.01028 0.07811 0.21364 125 2PY -0.02798 -0.05309 0.18915 -0.29530 -0.02109 126 2PZ -0.08586 0.16457 0.15363 -0.04035 0.00815 127 3S 1.82651 0.05276 0.03552 0.21154 -0.08718 128 3PX 0.50868 -0.23970 0.06450 -0.13929 -0.28006 129 3PY 0.40605 0.05060 1.14331 0.30668 0.05911 130 3PZ -1.62438 -0.14298 0.40064 0.03676 0.01675 131 4XX 0.01907 -0.00219 -0.00424 0.01281 -0.00775 132 4YY 0.00215 -0.01654 -0.00721 -0.06119 -0.00619 133 4ZZ -0.02746 -0.00827 0.01038 0.03539 0.00308 134 4XY 0.00208 -0.02137 0.00247 -0.01227 -0.02779 135 4XZ 0.01028 0.02768 0.02007 -0.00815 0.04331 136 4YZ 0.00175 -0.01508 0.00794 0.01223 -0.00194 137 17 H 1S 0.05304 -0.08406 -0.07743 0.02337 -0.14640 138 2S 0.17297 -0.08901 0.11370 -0.07996 -0.02151 139 18 H 1S 0.05924 0.13996 0.06618 0.02997 0.16999 140 2S 0.28283 -0.06704 -0.03733 -0.04892 -0.06071 141 19 O 1S -0.00186 0.01080 0.00849 0.00173 -0.01452 142 2S 0.02441 0.05189 0.01340 0.03074 0.13458 143 2PX 0.04321 -0.06611 -0.01177 -0.02347 -0.00455 144 2PY 0.02800 -0.08566 0.04251 0.07259 -0.11348 145 2PZ 0.01784 0.04837 0.07973 -0.00525 -0.13833 146 3S 0.02140 -0.49431 -0.13239 -0.07037 -0.26340 147 3PX -0.00349 0.04424 -0.11390 -0.07304 -0.06755 148 3PY -0.01737 0.33911 -0.01451 -0.01393 0.01175 149 3PZ 0.00914 -0.00445 0.06745 -0.07327 -0.03817 150 4XX 0.00513 0.05356 0.01305 0.00813 0.01013 151 4YY 0.01150 -0.05523 0.01115 0.01386 0.02059 152 4ZZ 0.00653 0.04801 0.01701 0.02074 0.02275 153 4XY 0.00423 -0.02185 -0.00797 -0.01259 0.00406 154 4XZ -0.00977 0.01923 -0.01774 -0.01576 0.03914 155 4YZ -0.00900 0.02332 -0.00248 0.00083 -0.00757 156 20 O 1S 0.00186 0.01080 -0.00849 0.00173 -0.01452 157 2S -0.02441 0.05189 -0.01341 0.03074 0.13458 158 2PX -0.04321 -0.06611 0.01177 -0.02347 -0.00455 159 2PY 0.02800 0.08566 0.04251 -0.07259 0.11348 160 2PZ -0.01784 0.04837 -0.07973 -0.00525 -0.13833 161 3S -0.02140 -0.49431 0.13240 -0.07037 -0.26340 162 3PX 0.00349 0.04424 0.11390 -0.07304 -0.06755 163 3PY -0.01737 -0.33911 -0.01451 0.01393 -0.01175 164 3PZ -0.00914 -0.00445 -0.06745 -0.07327 -0.03817 165 4XX -0.00513 0.05356 -0.01305 0.00813 0.01013 166 4YY -0.01150 -0.05523 -0.01115 0.01386 0.02059 167 4ZZ -0.00653 0.04801 -0.01701 0.02074 0.02275 168 4XY 0.00423 0.02185 -0.00797 0.01259 -0.00406 169 4XZ 0.00977 0.01923 0.01774 -0.01576 0.03914 170 4YZ -0.00900 -0.02332 -0.00248 -0.00083 0.00757 171 21 C 1S 0.00000 0.01003 0.00000 -0.00755 0.01606 172 2S 0.00000 -0.36572 0.00000 0.00663 -0.09757 173 2PX 0.00000 -0.37709 0.00000 -0.13888 -0.28995 174 2PY 0.10849 0.00000 -0.00502 0.00000 0.00000 175 2PZ 0.00000 0.31847 0.00000 -0.05659 -0.03658 176 3S 0.00000 0.91962 0.00000 0.07164 0.12159 177 3PX 0.00000 0.79876 0.00000 0.39798 0.43537 178 3PY -0.12651 0.00000 -0.10549 0.00000 0.00000 179 3PZ 0.00000 -0.70950 0.00000 0.12368 0.34549 180 4XX 0.00000 -0.01088 0.00000 0.02613 0.03731 181 4YY 0.00000 0.03630 0.00000 -0.00517 -0.00495 182 4ZZ 0.00000 -0.01433 0.00000 -0.02865 -0.01857 183 4XY -0.00485 0.00000 -0.00374 0.00000 0.00000 184 4XZ 0.00000 0.01529 0.00000 0.01366 -0.00820 185 4YZ 0.00822 0.00000 0.00878 0.00000 0.00000 186 22 H 1S 0.00000 0.03696 0.00000 -0.07931 -0.08969 187 2S 0.00000 0.00396 0.00000 -0.07713 -0.24447 188 23 H 1S 0.00000 0.05642 0.00000 0.11213 0.14994 189 2S 0.00000 0.05054 0.00000 0.09430 0.07491 71 72 73 74 75 V V V V V Eigenvalues -- 0.52316 0.54651 0.54787 0.54867 0.56890 1 1 C 1S -0.00947 0.04599 -0.00668 -0.02130 -0.01973 2 2S 0.01713 -0.04479 -0.16596 0.00767 0.08456 3 2PX -0.33524 -0.14667 0.29021 -0.00227 -0.43695 4 2PY 0.06270 0.18009 0.13251 0.18580 0.07060 5 2PZ -0.13060 -0.03252 0.02853 0.07921 0.05747 6 3S -0.14358 -1.08424 0.00727 -0.13950 0.12508 7 3PX 0.40239 0.68321 -0.54138 -0.13992 0.89874 8 3PY -0.19282 0.72457 -0.38194 -0.35411 -0.13460 9 3PZ 0.17600 -0.27193 0.15219 -0.03179 -0.07790 10 4XX -0.02496 -0.00939 -0.00441 0.00148 -0.01656 11 4YY 0.00107 0.02168 -0.03089 -0.00917 0.00735 12 4ZZ 0.00250 -0.00996 0.01537 -0.00811 -0.02195 13 4XY 0.02336 0.01326 -0.04774 -0.00769 -0.00654 14 4XZ 0.01119 -0.01146 0.01532 0.02010 0.02833 15 4YZ -0.02612 -0.01531 0.00189 0.00883 -0.00056 16 2 C 1S -0.00947 -0.04599 -0.00668 -0.02130 0.01973 17 2S 0.01713 0.04479 -0.16597 0.00767 -0.08457 18 2PX -0.33524 0.14668 0.29020 -0.00226 0.43695 19 2PY -0.06270 0.18009 -0.13252 -0.18579 0.07060 20 2PZ -0.13060 0.03251 0.02852 0.07922 -0.05748 21 3S -0.14358 1.08425 0.00722 -0.13942 -0.12507 22 3PX 0.40239 -0.68322 -0.54135 -0.13996 -0.89874 23 3PY 0.19282 0.72456 0.38191 0.35416 -0.13460 24 3PZ 0.17600 0.27193 0.15218 -0.03177 0.07790 25 4XX -0.02496 0.00939 -0.00441 0.00148 0.01656 26 4YY 0.00107 -0.02168 -0.03089 -0.00918 -0.00735 27 4ZZ 0.00250 0.00996 0.01537 -0.00811 0.02195 28 4XY -0.02336 0.01327 0.04774 0.00769 -0.00654 29 4XZ 0.01119 0.01146 0.01532 0.02010 -0.02833 30 4YZ 0.02612 -0.01531 -0.00189 -0.00883 -0.00057 31 3 C 1S 0.00900 0.00575 -0.00056 0.00296 -0.01426 32 2S -0.00227 -0.04225 -0.05167 -0.00435 0.08395 33 2PX -0.10650 0.08807 0.06947 0.10132 0.31266 34 2PY 0.03800 -0.07509 -0.15486 -0.08821 -0.03799 35 2PZ -0.12381 -0.08026 -0.04267 0.04527 -0.10983 36 3S -0.34147 0.12735 0.16860 0.27554 1.12963 37 3PX 0.14061 -0.16502 -0.18616 -0.04793 -0.10011 38 3PY -0.32858 0.13118 0.27555 0.41021 0.75583 39 3PZ 0.35701 -0.01502 0.02027 -0.03812 -0.21573 40 4XX 0.01346 -0.00386 -0.02920 0.00073 -0.00196 41 4YY 0.01940 0.00484 0.05565 -0.00809 0.01822 42 4ZZ -0.02597 -0.00239 -0.03654 0.01746 0.00644 43 4XY 0.00179 -0.00196 0.00003 -0.01282 0.00477 44 4XZ 0.01480 -0.00892 0.00261 -0.02606 -0.04070 45 4YZ -0.03558 0.01207 0.01256 0.01921 0.02386 46 4 C 1S -0.00607 -0.00091 0.00969 -0.00166 0.04594 47 2S -0.18011 0.02057 0.09805 0.18971 0.09129 48 2PX -0.01259 0.01973 -0.01692 0.19936 0.01979 49 2PY -0.18853 -0.05054 -0.00086 0.09630 -0.23844 50 2PZ 0.04504 0.03787 -0.16436 0.26891 0.07349 51 3S 0.37957 0.05792 -0.15595 -0.27812 -0.97556 52 3PX -0.09669 -0.01633 0.00217 -0.05823 0.66277 53 3PY 0.22967 0.14556 -0.03853 -0.19663 0.32679 54 3PZ -0.04097 0.00605 0.14395 -0.27185 -0.61397 55 4XX 0.01531 -0.00513 -0.00694 0.00160 -0.01363 56 4YY -0.04920 0.01486 0.01371 0.04492 0.06038 57 4ZZ 0.00327 -0.00252 0.02883 -0.01519 0.00265 58 4XY -0.00936 0.00417 -0.03005 0.01844 0.00516 59 4XZ 0.00373 -0.00462 -0.04119 0.00975 -0.03635 60 4YZ 0.00031 -0.00400 0.03195 0.00164 -0.00602 61 5 C 1S -0.00607 0.00091 0.00969 -0.00166 -0.04594 62 2S -0.18011 -0.02058 0.09805 0.18971 -0.09129 63 2PX -0.01259 -0.01975 -0.01692 0.19936 -0.01979 64 2PY 0.18853 -0.05054 0.00087 -0.09630 -0.23844 65 2PZ 0.04504 -0.03789 -0.16436 0.26891 -0.07349 66 3S 0.37958 -0.05790 -0.15594 -0.27814 0.97556 67 3PX -0.09669 0.01634 0.00217 -0.05823 -0.66277 68 3PY -0.22967 0.14555 0.03853 0.19665 0.32679 69 3PZ -0.04096 -0.00603 0.14395 -0.27185 0.61397 70 4XX 0.01531 0.00513 -0.00694 0.00161 0.01363 71 4YY -0.04920 -0.01486 0.01371 0.04492 -0.06038 72 4ZZ 0.00327 0.00252 0.02884 -0.01519 -0.00265 73 4XY 0.00936 0.00417 0.03005 -0.01844 0.00516 74 4XZ 0.00373 0.00462 -0.04119 0.00975 0.03635 75 4YZ -0.00031 -0.00400 -0.03195 -0.00164 -0.00602 76 6 C 1S 0.00900 -0.00575 -0.00056 0.00296 0.01426 77 2S -0.00227 0.04225 -0.05167 -0.00435 -0.08395 78 2PX -0.10651 -0.08807 0.06947 0.10131 -0.31266 79 2PY -0.03800 -0.07509 0.15486 0.08820 -0.03799 80 2PZ -0.12381 0.08026 -0.04267 0.04527 0.10983 81 3S -0.34147 -0.12737 0.16859 0.27554 -1.12963 82 3PX 0.14061 0.16502 -0.18617 -0.04792 0.10011 83 3PY 0.32858 0.13120 -0.27555 -0.41021 0.75583 84 3PZ 0.35701 0.01502 0.02027 -0.03812 0.21573 85 4XX 0.01346 0.00385 -0.02920 0.00073 0.00196 86 4YY 0.01940 -0.00484 0.05565 -0.00809 -0.01822 87 4ZZ -0.02597 0.00239 -0.03654 0.01746 -0.00644 88 4XY -0.00179 -0.00196 -0.00003 0.01282 0.00477 89 4XZ 0.01480 0.00893 0.00261 -0.02606 0.04070 90 4YZ 0.03558 0.01207 -0.01256 -0.01921 0.02386 91 7 H 1S 0.09107 0.08751 0.00218 -0.12370 -0.04076 92 2S 0.08666 -0.39141 0.31347 0.18428 -0.03444 93 8 H 1S -0.01088 0.01972 0.26201 -0.05822 0.16824 94 2S -0.04799 0.06565 -0.11988 0.01462 -0.20187 95 9 H 1S -0.01088 -0.01971 0.26201 -0.05822 -0.16824 96 2S -0.04799 -0.06566 -0.11987 0.01461 0.20187 97 10 H 1S 0.04051 -0.05745 0.26306 -0.01876 -0.11270 98 2S -0.13430 -0.00619 -0.08625 0.20406 -0.24332 99 11 H 1S 0.04051 0.05746 0.26306 -0.01876 0.11269 100 2S -0.13430 0.00618 -0.08625 0.20406 0.24332 101 12 H 1S 0.09107 -0.08751 0.00218 -0.12370 0.04076 102 2S 0.08666 0.39141 0.31346 0.18431 0.03444 103 13 C 1S 0.00315 0.00388 0.00068 0.00095 0.00266 104 2S -0.11638 -0.04266 -0.06149 0.10013 -0.11670 105 2PX -0.01451 -0.10514 -0.06314 0.23228 -0.04363 106 2PY -0.07449 0.07387 0.19272 -0.06880 -0.05787 107 2PZ 0.27261 0.11194 0.09709 -0.27148 0.16948 108 3S 0.15261 0.28427 -0.17699 -0.21662 0.56069 109 3PX -0.00032 -0.04647 0.11648 -0.26160 0.31116 110 3PY 0.04470 -0.15946 -0.25112 0.12117 -0.31046 111 3PZ -0.32943 -0.08374 -0.05791 0.35151 -0.42706 112 4XX 0.00287 -0.00995 0.02631 -0.03058 0.00336 113 4YY -0.00473 0.00935 -0.04667 0.02891 -0.00365 114 4ZZ -0.01541 0.00898 -0.00711 0.01716 0.00006 115 4XY 0.00624 0.00235 -0.02238 0.01539 -0.00001 116 4XZ 0.02145 -0.00649 -0.00199 0.01427 -0.01263 117 4YZ 0.00578 -0.00418 0.03322 0.01468 -0.00834 118 14 H 1S 0.06253 -0.00691 0.06224 0.05773 -0.06038 119 2S -0.05187 0.04578 -0.01793 -0.02799 -0.01687 120 15 H 1S -0.00180 -0.01447 0.15695 -0.13301 0.08357 121 2S -0.01798 -0.15948 0.00936 0.10844 0.22176 122 16 C 1S 0.00315 -0.00388 0.00068 0.00095 -0.00266 123 2S -0.11638 0.04265 -0.06149 0.10014 0.11670 124 2PX -0.01451 0.10512 -0.06314 0.23229 0.04363 125 2PY 0.07449 0.07386 -0.19272 0.06880 -0.05787 126 2PZ 0.27261 -0.11191 0.09710 -0.27149 -0.16947 127 3S 0.15260 -0.28426 -0.17698 -0.21663 -0.56068 128 3PX -0.00032 0.04649 0.11647 -0.26160 -0.31116 129 3PY -0.04470 -0.15944 0.25112 -0.12118 -0.31047 130 3PZ -0.32943 0.08371 -0.05791 0.35151 0.42705 131 4XX 0.00287 0.00995 0.02631 -0.03058 -0.00336 132 4YY -0.00473 -0.00935 -0.04667 0.02891 0.00365 133 4ZZ -0.01541 -0.00898 -0.00711 0.01716 -0.00006 134 4XY -0.00624 0.00236 0.02238 -0.01539 -0.00001 135 4XZ 0.02145 0.00649 -0.00199 0.01427 0.01263 136 4YZ -0.00578 -0.00418 -0.03322 -0.01468 -0.00834 137 17 H 1S -0.00180 0.01448 0.15695 -0.13301 -0.08357 138 2S -0.01798 0.15947 0.00936 0.10845 -0.22176 139 18 H 1S 0.06253 0.00691 0.06224 0.05773 0.06038 140 2S -0.05187 -0.04577 -0.01793 -0.02799 0.01687 141 19 O 1S -0.00213 -0.00737 0.00121 0.00433 0.00341 142 2S -0.14002 0.09624 -0.01355 -0.15643 -0.07771 143 2PX -0.10177 -0.02715 0.07666 -0.02834 -0.10070 144 2PY 0.15677 -0.21119 0.04032 0.11641 0.14927 145 2PZ -0.08782 0.05678 -0.03796 -0.04628 0.04630 146 3S 0.61747 -0.27805 0.08286 0.56829 0.54562 147 3PX -0.00941 0.21873 -0.05010 0.01027 -0.04126 148 3PY -0.19751 0.01620 -0.02280 -0.15430 -0.09889 149 3PZ -0.12209 -0.25857 0.06389 0.01223 -0.02141 150 4XX -0.04012 0.02053 -0.01299 -0.03963 0.00346 151 4YY 0.00208 -0.00017 0.02096 -0.00651 -0.01380 152 4ZZ -0.04405 0.01484 -0.01057 -0.04207 0.00360 153 4XY -0.00353 -0.05394 0.01834 0.01247 0.00359 154 4XZ -0.03600 0.01616 0.01283 -0.02841 -0.05646 155 4YZ -0.00378 0.05926 -0.02265 -0.01768 0.00434 156 20 O 1S -0.00213 0.00737 0.00121 0.00433 -0.00341 157 2S -0.14002 -0.09623 -0.01354 -0.15644 0.07771 158 2PX -0.10177 0.02716 0.07666 -0.02834 0.10070 159 2PY -0.15677 -0.21119 -0.04031 -0.11643 0.14927 160 2PZ -0.08782 -0.05678 -0.03796 -0.04629 -0.04631 161 3S 0.61747 0.27801 0.08284 0.56831 -0.54562 162 3PX -0.00941 -0.21874 -0.05009 0.01025 0.04126 163 3PY 0.19751 0.01619 0.02280 0.15430 -0.09889 164 3PZ -0.12209 0.25857 0.06388 0.01225 0.02141 165 4XX -0.04012 -0.02053 -0.01299 -0.03963 -0.00346 166 4YY 0.00208 0.00017 0.02096 -0.00651 0.01380 167 4ZZ -0.04405 -0.01484 -0.01057 -0.04207 -0.00360 168 4XY 0.00353 -0.05394 -0.01834 -0.01248 0.00359 169 4XZ -0.03600 -0.01616 0.01283 -0.02841 0.05646 170 4YZ 0.00378 0.05926 0.02264 0.01768 0.00434 171 21 C 1S -0.01516 0.00000 -0.00371 -0.02237 0.00000 172 2S 0.14631 -0.00001 0.13475 0.25078 0.00000 173 2PX 0.06814 -0.00001 0.17702 0.28057 0.00000 174 2PY 0.00000 -0.85373 0.00002 -0.00003 0.25681 175 2PZ -0.45833 0.00001 -0.22767 -0.30695 0.00000 176 3S -0.30194 0.00001 -0.23418 -0.34784 0.00000 177 3PX -0.11573 0.00001 -0.63705 -0.65847 0.00000 178 3PY 0.00000 1.46737 -0.00003 0.00005 -0.53661 179 3PZ 0.94745 -0.00002 0.73242 0.94226 0.00000 180 4XX 0.02769 0.00000 0.00806 0.01265 0.00000 181 4YY -0.03413 0.00000 -0.02566 -0.01947 0.00000 182 4ZZ -0.03184 0.00000 0.00545 -0.02085 0.00000 183 4XY 0.00000 0.04318 0.00000 0.00000 -0.03029 184 4XZ -0.00050 0.00000 -0.03064 -0.01632 0.00000 185 4YZ 0.00000 -0.05045 0.00000 0.00000 0.02428 186 22 H 1S -0.16538 0.00001 -0.13154 -0.22926 0.00000 187 2S -0.22743 0.00001 -0.20227 -0.31215 0.00000 188 23 H 1S 0.06046 0.00000 -0.09402 -0.06861 0.00000 189 2S 0.03875 0.00000 -0.19643 -0.13571 0.00000 76 77 78 79 80 V V V V V Eigenvalues -- 0.57935 0.60745 0.61336 0.61822 0.63632 1 1 C 1S -0.00534 0.01846 -0.01198 0.00898 0.01500 2 2S -0.34785 0.22842 -0.13624 0.21691 -0.14385 3 2PX 0.10735 -0.17626 0.12775 -0.04004 -0.01446 4 2PY -0.06046 0.33685 0.16185 0.06939 0.23768 5 2PZ -0.12498 0.23658 0.04719 0.12706 0.11714 6 3S 0.64534 -0.66072 -0.03086 -0.46173 0.68263 7 3PX -0.26529 0.53528 -0.14757 0.14171 0.17614 8 3PY 0.16165 -0.33508 -0.39315 -0.20960 -0.76944 9 3PZ 0.19568 -0.51823 0.00418 -0.06534 0.15658 10 4XX 0.01624 -0.02776 -0.02565 -0.00533 -0.05022 11 4YY -0.03596 0.06434 -0.03862 0.01186 0.04353 12 4ZZ -0.01960 -0.00801 0.02287 0.02911 -0.00402 13 4XY -0.01726 0.00329 -0.01258 0.01361 -0.00558 14 4XZ 0.01731 0.00244 0.01811 -0.01522 -0.00562 15 4YZ 0.04664 -0.00509 0.00045 -0.05783 -0.00840 16 2 C 1S -0.00534 -0.01846 -0.01198 0.00898 -0.01500 17 2S -0.34785 -0.22842 -0.13624 0.21692 0.14385 18 2PX 0.10735 0.17626 0.12775 -0.04005 0.01446 19 2PY 0.06046 0.33685 -0.16186 -0.06940 0.23768 20 2PZ -0.12498 -0.23658 0.04719 0.12707 -0.11714 21 3S 0.64534 0.66071 -0.03086 -0.46175 -0.68263 22 3PX -0.26528 -0.53528 -0.14756 0.14173 -0.17614 23 3PY -0.16164 -0.33508 0.39316 0.20961 -0.76943 24 3PZ 0.19568 0.51823 0.00417 -0.06535 -0.15658 25 4XX 0.01624 0.02776 -0.02565 -0.00533 0.05022 26 4YY -0.03596 -0.06434 -0.03862 0.01186 -0.04353 27 4ZZ -0.01960 0.00801 0.02287 0.02911 0.00402 28 4XY 0.01726 0.00329 0.01258 -0.01361 -0.00558 29 4XZ 0.01731 -0.00244 0.01811 -0.01522 0.00562 30 4YZ -0.04664 -0.00509 -0.00045 0.05783 -0.00840 31 3 C 1S -0.04633 -0.03204 -0.00299 -0.02862 -0.00125 32 2S 0.00217 -0.03535 -0.14761 0.06680 0.05544 33 2PX -0.02276 -0.01890 -0.15830 -0.19097 0.12208 34 2PY 0.11234 0.11474 -0.06947 -0.08342 -0.01318 35 2PZ 0.00263 -0.12859 -0.05827 -0.22810 0.47154 36 3S -0.11862 -0.08100 0.47116 0.23630 -0.47033 37 3PX 0.30240 0.45288 0.09819 0.42887 -0.18800 38 3PY -0.07587 -0.24758 0.41831 0.77733 -0.26971 39 3PZ -0.12601 -0.32250 0.05051 0.09683 -0.60601 40 4XX 0.02316 0.01962 -0.01650 -0.03104 0.01820 41 4YY -0.03217 -0.03853 -0.02959 0.03258 -0.01887 42 4ZZ -0.04535 -0.03159 0.02861 -0.01864 0.00444 43 4XY -0.03579 -0.02179 -0.02097 -0.01417 0.02064 44 4XZ 0.06396 0.05133 -0.02246 0.00524 0.01100 45 4YZ -0.01036 -0.03619 -0.02630 -0.01175 0.01809 46 4 C 1S 0.02298 0.01986 -0.00851 0.02371 -0.02650 47 2S -0.06298 -0.14436 -0.12630 0.22309 0.02180 48 2PX 0.22304 -0.05266 -0.48240 0.08585 0.26949 49 2PY 0.28150 0.11557 0.06868 0.17270 0.07866 50 2PZ -0.12529 -0.25488 -0.26132 -0.06405 0.15247 51 3S -0.04700 0.00785 0.11485 -0.67906 0.29959 52 3PX -0.19928 0.31600 0.61781 0.09393 -0.61316 53 3PY -0.30240 0.24869 -0.23429 -0.19750 0.08372 54 3PZ 0.02638 -0.02191 0.09249 -0.11241 0.09997 55 4XX -0.01057 0.00316 0.01416 0.02516 -0.02656 56 4YY 0.02673 -0.01811 -0.00208 0.04657 -0.01844 57 4ZZ 0.00416 0.00134 -0.06271 -0.00918 0.02956 58 4XY 0.01573 0.00192 -0.02490 -0.01469 -0.01089 59 4XZ -0.01700 -0.01539 0.04333 -0.03472 0.01491 60 4YZ -0.02141 -0.00097 -0.02861 0.02742 -0.00041 61 5 C 1S 0.02298 -0.01985 -0.00851 0.02371 0.02650 62 2S -0.06298 0.14436 -0.12630 0.22309 -0.02180 63 2PX 0.22304 0.05265 -0.48240 0.08585 -0.26949 64 2PY -0.28150 0.11557 -0.06868 -0.17271 0.07866 65 2PZ -0.12529 0.25487 -0.26132 -0.06406 -0.15247 66 3S -0.04701 -0.00787 0.11485 -0.67906 -0.29959 67 3PX -0.19927 -0.31600 0.61780 0.09394 0.61316 68 3PY 0.30239 0.24870 0.23429 0.19750 0.08373 69 3PZ 0.02637 0.02191 0.09249 -0.11241 -0.09997 70 4XX -0.01057 -0.00316 0.01416 0.02516 0.02656 71 4YY 0.02674 0.01811 -0.00208 0.04657 0.01844 72 4ZZ 0.00416 -0.00134 -0.06271 -0.00918 -0.02956 73 4XY -0.01573 0.00192 0.02490 0.01469 -0.01089 74 4XZ -0.01700 0.01539 0.04333 -0.03472 -0.01491 75 4YZ 0.02141 -0.00097 0.02861 -0.02742 -0.00041 76 6 C 1S -0.04633 0.03204 -0.00299 -0.02862 0.00125 77 2S 0.00218 0.03535 -0.14761 0.06680 -0.05544 78 2PX -0.02275 0.01889 -0.15830 -0.19097 -0.12208 79 2PY -0.11234 0.11475 0.06946 0.08341 -0.01319 80 2PZ 0.00263 0.12859 -0.05827 -0.22811 -0.47154 81 3S -0.11861 0.08101 0.47116 0.23629 0.47033 82 3PX 0.30240 -0.45287 0.09819 0.42888 0.18801 83 3PY 0.07586 -0.24760 -0.41831 -0.77732 -0.26971 84 3PZ -0.12602 0.32250 0.05050 0.09682 0.60601 85 4XX 0.02316 -0.01962 -0.01650 -0.03104 -0.01820 86 4YY -0.03217 0.03853 -0.02959 0.03258 0.01887 87 4ZZ -0.04535 0.03159 0.02861 -0.01864 -0.00444 88 4XY 0.03579 -0.02179 0.02097 0.01417 0.02064 89 4XZ 0.06396 -0.05133 -0.02246 0.00524 -0.01100 90 4YZ 0.01036 -0.03619 0.02630 0.01175 0.01809 91 7 H 1S -0.17106 0.09519 -0.00251 0.28349 0.20252 92 2S 0.04884 -0.04658 0.18006 -0.01047 0.24485 93 8 H 1S 0.01126 0.04070 -0.20326 0.23024 -0.06943 94 2S 0.00008 -0.13966 -0.08626 -0.12273 0.16895 95 9 H 1S 0.01127 -0.04069 -0.20326 0.23024 0.06943 96 2S 0.00008 0.13965 -0.08626 -0.12273 -0.16895 97 10 H 1S -0.23784 0.16239 -0.10859 0.05969 0.02502 98 2S 0.00867 0.03253 0.24786 0.31268 0.05900 99 11 H 1S -0.23784 -0.16239 -0.10858 0.05969 -0.02502 100 2S 0.00867 -0.03252 0.24786 0.31268 -0.05900 101 12 H 1S -0.17105 -0.09519 -0.00251 0.28349 -0.20252 102 2S 0.04884 0.04658 0.18006 -0.01047 -0.24485 103 13 C 1S 0.01476 -0.00271 -0.00444 0.00859 -0.02529 104 2S -0.12546 0.14548 0.01711 0.01998 0.23408 105 2PX -0.00921 0.09569 0.16359 0.06156 0.07826 106 2PY -0.24642 -0.04718 -0.05462 -0.33680 -0.31950 107 2PZ 0.33541 -0.38620 -0.05343 -0.02717 0.01523 108 3S 0.33015 -0.51262 -0.01865 0.10256 -1.00039 109 3PX -0.05111 -0.20270 -0.29575 -0.19840 -0.18673 110 3PY 0.35161 -0.01252 0.17831 0.64565 0.75641 111 3PZ -0.39503 1.03870 0.28634 0.19769 0.11163 112 4XX -0.00545 -0.01706 -0.02315 -0.03489 0.03158 113 4YY 0.01433 0.00225 0.02672 0.06352 -0.03133 114 4ZZ -0.00035 0.02033 -0.00270 -0.00943 -0.00901 115 4XY 0.01811 -0.00334 0.01065 -0.00903 -0.00516 116 4XZ 0.00125 -0.00807 0.00998 -0.01343 0.02600 117 4YZ -0.00829 -0.00058 -0.00253 0.04210 0.01763 118 14 H 1S 0.02451 -0.02250 -0.06170 -0.03830 -0.04345 119 2S 0.03050 -0.10391 -0.06995 -0.06541 -0.16981 120 15 H 1S -0.01257 -0.06813 -0.15690 -0.00610 -0.03314 121 2S -0.01758 -0.01862 -0.09272 -0.12525 -0.13491 122 16 C 1S 0.01476 0.00271 -0.00444 0.00859 0.02529 123 2S -0.12546 -0.14548 0.01711 0.01998 -0.23408 124 2PX -0.00921 -0.09569 0.16359 0.06157 -0.07826 125 2PY 0.24642 -0.04717 0.05462 0.33680 -0.31950 126 2PZ 0.33541 0.38620 -0.05343 -0.02718 -0.01523 127 3S 0.33015 0.51263 -0.01865 0.10254 1.00039 128 3PX -0.05110 0.20270 -0.29575 -0.19841 0.18673 129 3PY -0.35161 -0.01254 -0.17831 -0.64565 0.75641 130 3PZ -0.39503 -1.03870 0.28634 0.19772 -0.11163 131 4XX -0.00545 0.01706 -0.02315 -0.03489 -0.03158 132 4YY 0.01433 -0.00225 0.02672 0.06352 0.03133 133 4ZZ -0.00035 -0.02033 -0.00270 -0.00943 0.00901 134 4XY -0.01811 -0.00334 -0.01065 0.00903 -0.00516 135 4XZ 0.00125 0.00807 0.00998 -0.01343 -0.02600 136 4YZ 0.00829 -0.00058 0.00253 -0.04210 0.01763 137 17 H 1S -0.01256 0.06813 -0.15690 -0.00610 0.03314 138 2S -0.01758 0.01861 -0.09272 -0.12525 0.13491 139 18 H 1S 0.02450 0.02250 -0.06170 -0.03830 0.04345 140 2S 0.03050 0.10391 -0.06995 -0.06541 0.16981 141 19 O 1S 0.00312 -0.00518 -0.00037 -0.00267 -0.00253 142 2S -0.02581 0.02871 -0.01996 0.06331 0.05441 143 2PX 0.05920 -0.07566 -0.00530 0.02995 -0.01945 144 2PY -0.10305 0.09274 0.03123 0.13872 0.02636 145 2PZ -0.03147 0.05435 -0.04676 0.04799 -0.04086 146 3S -0.12402 0.39284 0.09166 -0.00210 -0.03955 147 3PX -0.10636 0.16424 0.02302 0.05355 0.02384 148 3PY 0.01748 -0.07620 0.03009 -0.02715 0.03779 149 3PZ 0.10302 -0.11051 -0.00081 -0.02985 -0.03692 150 4XX -0.03162 0.04999 0.00151 0.03267 0.03823 151 4YY -0.00101 -0.00501 -0.00502 0.02293 0.00362 152 4ZZ -0.00326 0.00952 -0.00514 0.01444 0.00613 153 4XY 0.01987 -0.01737 -0.00225 -0.02097 0.00113 154 4XZ 0.03221 -0.05518 0.00744 -0.01457 -0.01014 155 4YZ -0.00812 0.01179 -0.00720 0.00979 -0.00318 156 20 O 1S 0.00312 0.00518 -0.00037 -0.00267 0.00253 157 2S -0.02581 -0.02871 -0.01996 0.06331 -0.05441 158 2PX 0.05920 0.07566 -0.00530 0.02995 0.01945 159 2PY 0.10304 0.09273 -0.03123 -0.13872 0.02636 160 2PZ -0.03147 -0.05435 -0.04676 0.04799 0.04086 161 3S -0.12401 -0.39285 0.09167 -0.00209 0.03955 162 3PX -0.10636 -0.16424 0.02302 0.05355 -0.02384 163 3PY -0.01748 -0.07620 -0.03009 0.02715 0.03779 164 3PZ 0.10302 0.11051 -0.00081 -0.02985 0.03692 165 4XX -0.03162 -0.04999 0.00151 0.03267 -0.03823 166 4YY -0.00101 0.00502 -0.00502 0.02293 -0.00362 167 4ZZ -0.00326 -0.00952 -0.00514 0.01444 -0.00613 168 4XY -0.01987 -0.01737 0.00225 0.02097 0.00113 169 4XZ 0.03221 0.05518 0.00744 -0.01457 0.01014 170 4YZ 0.00812 0.01179 0.00720 -0.00979 -0.00318 171 21 C 1S 0.00669 0.00000 -0.00312 -0.00172 0.00000 172 2S -0.03522 0.00000 0.00716 0.03271 0.00000 173 2PX 0.08795 0.00000 0.02116 0.02729 0.00000 174 2PY 0.00000 -0.04615 0.00000 0.00000 -0.00718 175 2PZ -0.04559 0.00000 -0.08451 0.12318 0.00000 176 3S -0.01876 0.00000 0.07424 -0.07540 0.00000 177 3PX -0.46618 0.00000 -0.14468 0.05386 0.00000 178 3PY 0.00000 0.09980 0.00000 0.00000 0.07584 179 3PZ 0.29358 0.00000 0.34154 -0.52030 0.00000 180 4XX 0.00063 0.00000 0.01685 -0.00843 0.00000 181 4YY -0.00667 0.00000 -0.01211 -0.01984 0.00000 182 4ZZ 0.00256 0.00000 -0.01031 0.02789 0.00000 183 4XY 0.00000 -0.02052 0.00000 0.00000 -0.01141 184 4XZ -0.03121 0.00000 -0.01174 0.03021 0.00000 185 4YZ 0.00000 0.00655 0.00000 0.00000 -0.00526 186 22 H 1S -0.08741 0.00000 -0.10539 0.19911 0.00000 187 2S -0.05873 0.00000 -0.14876 0.19911 0.00000 188 23 H 1S -0.08737 0.00000 0.00096 0.02266 0.00000 189 2S -0.20523 0.00000 -0.09475 0.00136 0.00000 81 82 83 84 85 V V V V V Eigenvalues -- 0.66310 0.67864 0.71284 0.72295 0.74095 1 1 C 1S -0.00159 -0.01346 0.00635 -0.01662 -0.00627 2 2S 0.09427 0.02713 -0.16164 -0.11901 -0.33764 3 2PX -0.29351 0.08902 -0.01227 0.09396 0.31930 4 2PY -0.09443 -0.20691 -0.16818 -0.02564 0.38117 5 2PZ -0.10988 -0.05382 -0.22046 0.06952 -0.00964 6 3S -0.51531 -0.34678 0.49880 0.50443 1.87027 7 3PX 0.68353 -0.25183 -0.15936 -0.02793 -1.00552 8 3PY 0.32283 0.69177 0.37823 0.19758 -1.04135 9 3PZ 0.05509 -0.03161 0.45944 0.00683 0.60752 10 4XX 0.01614 0.03512 0.03093 -0.02276 -0.01324 11 4YY -0.01972 -0.03974 0.00458 -0.01105 0.05512 12 4ZZ -0.00312 -0.00451 -0.03592 0.00309 -0.02736 13 4XY 0.00430 0.00343 -0.03108 -0.02833 -0.01761 14 4XZ 0.00650 -0.00721 -0.00865 0.00055 -0.00375 15 4YZ -0.00049 0.00722 -0.00740 0.00894 0.00475 16 2 C 1S 0.00159 0.01346 0.00635 -0.01662 0.00627 17 2S -0.09427 -0.02713 -0.16163 -0.11901 0.33764 18 2PX 0.29351 -0.08902 -0.01227 0.09396 -0.31929 19 2PY -0.09443 -0.20691 0.16818 0.02564 0.38117 20 2PZ 0.10988 0.05382 -0.22046 0.06952 0.00964 21 3S 0.51530 0.34679 0.49880 0.50443 -1.87027 22 3PX -0.68353 0.25183 -0.15937 -0.02793 1.00551 23 3PY 0.32283 0.69177 -0.37823 -0.19758 -1.04135 24 3PZ -0.05510 0.03161 0.45944 0.00684 -0.60752 25 4XX -0.01614 -0.03512 0.03093 -0.02276 0.01324 26 4YY 0.01972 0.03974 0.00458 -0.01105 -0.05512 27 4ZZ 0.00312 0.00451 -0.03592 0.00309 0.02736 28 4XY 0.00430 0.00343 0.03108 0.02833 -0.01761 29 4XZ -0.00650 0.00721 -0.00865 0.00055 0.00375 30 4YZ -0.00048 0.00722 0.00740 -0.00894 0.00475 31 3 C 1S 0.01596 0.00039 0.01539 0.00176 0.01016 32 2S -0.13206 0.19970 -0.31510 -0.15331 0.06525 33 2PX -0.20698 0.02792 -0.22084 -0.27923 0.33081 34 2PY -0.09183 0.21998 -0.38861 0.10229 -0.03100 35 2PZ 0.16101 -0.02598 0.03738 -0.57873 0.07852 36 3S 0.52253 -0.56528 0.75196 0.51751 0.17582 37 3PX -0.05437 -0.06058 0.79464 0.18622 -0.62120 38 3PY 0.31399 -0.59570 0.95195 -0.28848 0.04435 39 3PZ -0.20161 0.12223 -0.14079 1.37173 -0.13358 40 4XX -0.03425 0.01573 -0.00042 0.00462 -0.00739 41 4YY 0.02155 0.01496 0.02478 -0.04486 -0.00827 42 4ZZ 0.01796 -0.02116 -0.01896 0.02190 0.03449 43 4XY 0.01044 0.01117 -0.00613 -0.01329 0.01579 44 4XZ -0.03370 -0.00782 -0.01104 -0.00162 -0.00901 45 4YZ -0.02062 -0.02494 -0.01127 0.01104 0.00453 46 4 C 1S -0.04388 0.04067 -0.02180 -0.00064 0.02249 47 2S 0.18409 0.01606 -0.19119 0.03960 -0.11329 48 2PX -0.42796 -0.01939 0.02958 0.14857 -0.36926 49 2PY 0.24116 -0.19971 -0.19009 0.00923 -0.10205 50 2PZ -0.16981 0.06711 0.12738 0.11284 -0.23454 51 3S -0.68048 0.05561 -0.49757 0.33118 0.36069 52 3PX 0.68503 0.02031 0.17954 -0.43541 0.95742 53 3PY -0.61390 -0.00951 0.28711 -0.08033 0.15900 54 3PZ 0.27647 -0.18099 -0.44522 -0.17944 0.40923 55 4XX 0.01811 0.00021 -0.01718 -0.00203 -0.00082 56 4YY -0.05569 0.03384 -0.03659 0.00923 0.01786 57 4ZZ -0.00473 0.01635 -0.01256 0.00319 -0.01676 58 4XY -0.00623 -0.00961 -0.05105 0.03840 0.00901 59 4XZ 0.04064 -0.04480 0.05958 -0.00287 -0.01294 60 4YZ 0.01271 0.00701 0.03754 -0.01361 -0.00663 61 5 C 1S 0.04388 -0.04067 -0.02180 -0.00064 -0.02249 62 2S -0.18409 -0.01606 -0.19119 0.03960 0.11329 63 2PX 0.42796 0.01939 0.02958 0.14857 0.36926 64 2PY 0.24116 -0.19971 0.19009 -0.00924 -0.10204 65 2PZ 0.16981 -0.06711 0.12738 0.11284 0.23455 66 3S 0.68048 -0.05561 -0.49757 0.33118 -0.36070 67 3PX -0.68503 -0.02031 0.17954 -0.43541 -0.95742 68 3PY -0.61390 -0.00951 -0.28711 0.08033 0.15899 69 3PZ -0.27647 0.18099 -0.44522 -0.17944 -0.40924 70 4XX -0.01811 -0.00021 -0.01718 -0.00203 0.00082 71 4YY 0.05569 -0.03384 -0.03659 0.00923 -0.01786 72 4ZZ 0.00473 -0.01635 -0.01256 0.00319 0.01676 73 4XY -0.00623 -0.00961 0.05105 -0.03840 0.00901 74 4XZ -0.04064 0.04480 0.05958 -0.00287 0.01294 75 4YZ 0.01271 0.00701 -0.03754 0.01361 -0.00663 76 6 C 1S -0.01596 -0.00039 0.01539 0.00176 -0.01016 77 2S 0.13206 -0.19970 -0.31510 -0.15332 -0.06525 78 2PX 0.20698 -0.02791 -0.22083 -0.27923 -0.33082 79 2PY -0.09183 0.21999 0.38861 -0.10229 -0.03100 80 2PZ -0.16101 0.02598 0.03738 -0.57873 -0.07851 81 3S -0.52253 0.56529 0.75196 0.51751 -0.17583 82 3PX 0.05436 0.06058 0.79464 0.18622 0.62121 83 3PY 0.31399 -0.59570 -0.95195 0.28848 0.04435 84 3PZ 0.20161 -0.12223 -0.14079 1.37173 0.13357 85 4XX 0.03425 -0.01573 -0.00042 0.00462 0.00739 86 4YY -0.02155 -0.01496 0.02478 -0.04486 0.00827 87 4ZZ -0.01796 0.02116 -0.01896 0.02190 -0.03449 88 4XY 0.01044 0.01117 0.00613 0.01329 0.01579 89 4XZ 0.03370 0.00782 -0.01104 -0.00162 0.00901 90 4YZ -0.02062 -0.02494 0.01127 -0.01104 0.00453 91 7 H 1S -0.02600 -0.17401 0.04820 -0.06174 -0.07847 92 2S -0.06706 -0.13576 0.01402 -0.06304 0.39556 93 8 H 1S -0.15107 0.17446 -0.03563 -0.04063 0.03722 94 2S -0.04249 -0.24959 -0.17660 0.10222 -0.11765 95 9 H 1S 0.15107 -0.17445 -0.03563 -0.04063 -0.03723 96 2S 0.04249 0.24959 -0.17660 0.10222 0.11765 97 10 H 1S -0.14271 -0.13520 0.05761 -0.09198 0.02554 98 2S 0.00285 0.13456 0.31151 -0.05836 -0.02088 99 11 H 1S 0.14271 0.13520 0.05761 -0.09198 -0.02554 100 2S -0.00285 -0.13456 0.31151 -0.05836 0.02088 101 12 H 1S 0.02600 0.17401 0.04820 -0.06174 0.07847 102 2S 0.06706 0.13576 0.01402 -0.06304 -0.39556 103 13 C 1S -0.01274 -0.02764 0.00405 -0.02146 0.00407 104 2S 0.06129 0.31581 -0.10737 0.11677 -0.02068 105 2PX -0.07090 -0.01416 0.09436 0.04703 0.06435 106 2PY -0.29694 -0.45372 -0.08266 0.29172 -0.06675 107 2PZ 0.12000 -0.24319 -0.14121 -0.10984 0.12067 108 3S -0.24890 -1.09506 0.30033 -0.91141 -0.10608 109 3PX 0.11567 -0.11554 -0.30582 -0.18916 -0.20513 110 3PY 0.62613 1.47157 0.38874 -0.66709 0.24684 111 3PZ -0.33571 0.97870 0.40945 0.37632 -0.37405 112 4XX 0.01800 0.00983 -0.02291 0.03437 0.00570 113 4YY -0.02988 -0.03743 0.01017 -0.01434 -0.00687 114 4ZZ 0.00502 0.02596 0.00643 -0.04539 0.00190 115 4XY 0.00145 0.00091 0.01800 -0.02754 0.00017 116 4XZ 0.00004 -0.01833 0.01215 0.00580 0.00857 117 4YZ 0.00861 0.00201 0.06657 -0.00366 0.00240 118 14 H 1S -0.02140 -0.19718 0.07245 -0.18925 -0.00220 119 2S -0.05691 -0.36654 -0.28871 0.09147 0.09149 120 15 H 1S -0.02425 -0.14079 -0.07597 0.01296 0.05506 121 2S -0.07945 -0.35722 -0.19641 -0.08529 -0.07309 122 16 C 1S 0.01274 0.02764 0.00405 -0.02146 -0.00407 123 2S -0.06129 -0.31581 -0.10737 0.11677 0.02068 124 2PX 0.07090 0.01416 0.09435 0.04703 -0.06435 125 2PY -0.29694 -0.45372 0.08266 -0.29172 -0.06674 126 2PZ -0.12000 0.24319 -0.14121 -0.10984 -0.12067 127 3S 0.24890 1.09507 0.30033 -0.91141 0.10608 128 3PX -0.11567 0.11554 -0.30581 -0.18916 0.20513 129 3PY 0.62613 1.47157 -0.38874 0.66709 0.24684 130 3PZ 0.33571 -0.97870 0.40945 0.37632 0.37404 131 4XX -0.01800 -0.00983 -0.02291 0.03437 -0.00570 132 4YY 0.02988 0.03743 0.01017 -0.01434 0.00687 133 4ZZ -0.00502 -0.02596 0.00643 -0.04539 -0.00190 134 4XY 0.00145 0.00091 -0.01800 0.02754 0.00017 135 4XZ -0.00004 0.01833 0.01215 0.00580 -0.00857 136 4YZ 0.00861 0.00201 -0.06657 0.00366 0.00240 137 17 H 1S 0.02425 0.14079 -0.07597 0.01296 -0.05505 138 2S 0.07945 0.35722 -0.19641 -0.08529 0.07310 139 18 H 1S 0.02140 0.19718 0.07245 -0.18926 0.00220 140 2S 0.05691 0.36654 -0.28871 0.09147 -0.09149 141 19 O 1S -0.00051 0.00501 0.00676 0.00640 0.00806 142 2S -0.03360 -0.00154 -0.02275 0.00862 0.04024 143 2PX -0.05324 0.09546 0.18953 0.02525 0.09265 144 2PY 0.02603 -0.10261 -0.10304 -0.06959 -0.07012 145 2PZ -0.00899 0.10322 0.08256 0.01063 0.05267 146 3S 0.25050 -0.25292 -0.28662 -0.18768 -0.61529 147 3PX 0.04276 -0.08564 -0.22147 -0.10723 -0.24803 148 3PY -0.05044 0.05910 0.07819 0.06085 0.16548 149 3PZ -0.06205 -0.02941 0.03332 0.01416 0.09700 150 4XX -0.00802 -0.02371 -0.04354 0.00609 0.00328 151 4YY -0.00430 0.01188 -0.00046 -0.00068 -0.00727 152 4ZZ -0.00240 -0.00408 0.00699 0.00568 0.02207 153 4XY -0.00575 -0.00622 0.00991 0.00274 0.02695 154 4XZ -0.01985 0.01616 0.02285 0.00366 0.03065 155 4YZ 0.02323 0.00582 -0.00950 -0.01709 -0.04016 156 20 O 1S 0.00051 -0.00501 0.00676 0.00640 -0.00806 157 2S 0.03360 0.00154 -0.02275 0.00862 -0.04024 158 2PX 0.05324 -0.09546 0.18953 0.02525 -0.09265 159 2PY 0.02603 -0.10261 0.10304 0.06959 -0.07012 160 2PZ 0.00899 -0.10322 0.08256 0.01063 -0.05267 161 3S -0.25050 0.25292 -0.28662 -0.18768 0.61529 162 3PX -0.04276 0.08564 -0.22148 -0.10723 0.24803 163 3PY -0.05044 0.05910 -0.07819 -0.06085 0.16547 164 3PZ 0.06205 0.02941 0.03332 0.01416 -0.09700 165 4XX 0.00802 0.02371 -0.04354 0.00609 -0.00328 166 4YY 0.00430 -0.01188 -0.00046 -0.00068 0.00727 167 4ZZ 0.00240 0.00408 0.00699 0.00568 -0.02207 168 4XY -0.00575 -0.00622 -0.00991 -0.00274 0.02695 169 4XZ 0.01985 -0.01616 0.02285 0.00366 -0.03065 170 4YZ 0.02323 0.00582 0.00950 0.01709 -0.04016 171 21 C 1S 0.00000 0.00000 -0.00783 -0.00063 0.00000 172 2S 0.00000 0.00000 -0.02801 0.03199 0.00000 173 2PX 0.00000 0.00000 0.14183 -0.04279 0.00000 174 2PY -0.00687 -0.11704 0.00000 0.00000 -0.00311 175 2PZ 0.00000 0.00000 0.19909 -0.00988 0.00000 176 3S 0.00000 0.00000 0.07508 -0.03189 0.00000 177 3PX 0.00000 0.00000 -0.55936 0.11965 0.00000 178 3PY 0.02798 0.23137 0.00000 0.00000 -0.09595 179 3PZ 0.00000 0.00000 -0.30154 0.09419 0.00000 180 4XX 0.00000 0.00000 -0.01678 0.00896 0.00000 181 4YY 0.00000 0.00000 0.00978 0.02204 0.00000 182 4ZZ 0.00000 0.00000 0.00297 -0.01696 0.00000 183 4XY -0.01310 0.01827 0.00000 0.00000 0.02573 184 4XZ 0.00000 0.00000 -0.03377 -0.01113 0.00000 185 4YZ 0.00173 -0.01540 0.00000 0.00000 -0.01045 186 22 H 1S 0.00000 0.00000 -0.08947 -0.09401 0.00000 187 2S 0.00000 0.00000 0.25174 0.00812 0.00000 188 23 H 1S 0.00000 0.00000 -0.21862 -0.02975 0.00000 189 2S 0.00000 0.00000 -0.28120 0.08710 0.00000 86 87 88 89 90 V V V V V Eigenvalues -- 0.75192 0.77534 0.79576 0.79876 0.81066 1 1 C 1S 0.00559 -0.01483 0.00122 -0.00873 -0.00521 2 2S -0.00663 0.01752 0.27428 0.08437 0.14330 3 2PX -0.28095 0.13338 -0.14426 0.02144 -0.03728 4 2PY -0.05709 -0.10261 -0.08553 -0.32542 0.01280 5 2PZ -0.11537 0.16835 0.21087 0.30749 0.05069 6 3S -0.21017 0.44515 -0.11638 -0.86555 -0.17994 7 3PX 0.33016 -0.19939 0.32686 0.36649 0.11898 8 3PY 0.05356 0.51295 0.27694 1.44270 -0.02972 9 3PZ -0.00342 -0.29670 -0.38699 -0.97812 -0.01305 10 4XX 0.00321 -0.00238 -0.01600 0.01520 0.01455 11 4YY 0.00801 0.02458 0.04111 -0.05817 0.01664 12 4ZZ -0.02588 -0.03924 -0.00121 0.00835 -0.02621 13 4XY 0.01244 -0.03738 -0.04754 0.00417 -0.00154 14 4XZ 0.03421 0.04480 -0.02657 -0.01005 -0.01019 15 4YZ 0.04433 0.01528 0.05745 -0.00393 0.01655 16 2 C 1S 0.00559 -0.01483 0.00122 0.00873 -0.00521 17 2S -0.00663 0.01752 0.27428 -0.08438 0.14330 18 2PX -0.28095 0.13338 -0.14426 -0.02144 -0.03728 19 2PY 0.05709 0.10261 0.08551 -0.32543 -0.01280 20 2PZ -0.11536 0.16835 0.21085 -0.30750 0.05069 21 3S -0.21020 0.44516 -0.11632 0.86555 -0.17994 22 3PX 0.33018 -0.19939 0.32684 -0.36651 0.11898 23 3PY -0.05358 -0.51295 -0.27685 1.44272 0.02971 24 3PZ -0.00343 -0.29669 -0.38693 0.97814 -0.01306 25 4XX 0.00321 -0.00238 -0.01600 -0.01519 0.01455 26 4YY 0.00801 0.02458 0.04112 0.05816 0.01664 27 4ZZ -0.02588 -0.03924 -0.00121 -0.00835 -0.02621 28 4XY -0.01244 0.03738 0.04754 0.00416 0.00154 29 4XZ 0.03421 0.04480 -0.02656 0.01005 -0.01019 30 4YZ -0.04433 -0.01528 -0.05745 -0.00393 -0.01655 31 3 C 1S -0.00364 -0.00522 -0.00442 -0.01244 -0.00368 32 2S -0.17620 -0.08609 0.11674 0.14768 -0.00322 33 2PX 0.41631 -0.21921 -0.10473 0.33534 -0.05392 34 2PY -0.22973 -0.15294 0.07254 -0.01578 0.06664 35 2PZ -0.27843 0.08723 -0.02465 0.12335 -0.05966 36 3S 0.19703 0.49498 0.00088 0.06548 0.15982 37 3PX -0.69202 0.69104 0.20462 -0.06795 0.08208 38 3PY 0.47392 0.59549 0.02677 0.41755 -0.08684 39 3PZ 0.77517 -0.49080 0.10611 -0.62806 0.13145 40 4XX -0.02387 -0.01243 -0.01285 0.01375 0.00267 41 4YY -0.00044 0.00934 0.02461 0.03468 0.00559 42 4ZZ -0.00089 0.00543 -0.00011 -0.03133 -0.01206 43 4XY -0.03315 0.02530 0.01052 -0.02774 -0.00233 44 4XZ 0.03610 0.00901 -0.00063 -0.01369 -0.00640 45 4YZ 0.01606 -0.00939 -0.00113 0.00123 -0.00263 46 4 C 1S 0.02614 -0.00434 0.01010 0.00282 0.00894 47 2S -0.18340 0.00533 0.02139 0.10200 -0.01160 48 2PX -0.00041 -0.01312 -0.15230 -0.00874 -0.07071 49 2PY 0.17738 -0.09375 0.07431 0.41306 0.05462 50 2PZ -0.20903 0.05862 -0.01458 -0.05192 0.00628 51 3S 0.63257 -0.79598 -0.00450 -1.19719 0.04473 52 3PX -0.02012 0.23370 0.20517 0.73936 0.09404 53 3PY -0.45060 0.33678 -0.08875 -0.93630 -0.05490 54 3PZ 0.28715 -0.28225 -0.06394 -0.46180 -0.08807 55 4XX 0.01613 -0.00730 0.01227 0.02297 -0.00287 56 4YY 0.00606 -0.01563 -0.00027 -0.05610 -0.00165 57 4ZZ -0.01694 0.00734 -0.00269 0.02453 0.01067 58 4XY -0.00137 -0.03614 -0.02548 0.00658 -0.01299 59 4XZ -0.03199 0.01440 -0.02371 -0.01562 -0.01700 60 4YZ -0.01575 0.05236 0.02055 -0.01726 0.01239 61 5 C 1S 0.02614 -0.00434 0.01010 -0.00282 0.00894 62 2S -0.18340 0.00533 0.02138 -0.10201 -0.01159 63 2PX -0.00041 -0.01312 -0.15230 0.00875 -0.07071 64 2PY -0.17738 0.09375 -0.07429 0.41307 -0.05462 65 2PZ -0.20903 0.05863 -0.01458 0.05192 0.00628 66 3S 0.63256 -0.79597 -0.00442 1.19719 0.04472 67 3PX -0.02013 0.23370 0.20513 -0.73937 0.09405 68 3PY 0.45060 -0.33678 0.08870 -0.93630 0.05491 69 3PZ 0.28714 -0.28225 -0.06391 0.46180 -0.08808 70 4XX 0.01613 -0.00730 0.01227 -0.02297 -0.00287 71 4YY 0.00606 -0.01563 -0.00027 0.05610 -0.00165 72 4ZZ -0.01694 0.00734 -0.00270 -0.02453 0.01067 73 4XY 0.00137 0.03614 0.02548 0.00658 0.01299 74 4XZ -0.03199 0.01440 -0.02371 0.01562 -0.01700 75 4YZ 0.01575 -0.05236 -0.02055 -0.01726 -0.01239 76 6 C 1S -0.00364 -0.00522 -0.00442 0.01244 -0.00368 77 2S -0.17621 -0.08609 0.11673 -0.14769 -0.00322 78 2PX 0.41631 -0.21920 -0.10475 -0.33533 -0.05391 79 2PY 0.22973 0.15294 -0.07255 -0.01578 -0.06664 80 2PZ -0.27843 0.08723 -0.02466 -0.12335 -0.05966 81 3S 0.19703 0.49498 0.00087 -0.06548 0.15983 82 3PX -0.69200 0.69104 0.20462 0.06794 0.08208 83 3PY -0.47392 -0.59549 -0.02674 0.41755 0.08683 84 3PZ 0.77517 -0.49080 0.10614 0.62805 0.13145 85 4XX -0.02387 -0.01243 -0.01285 -0.01375 0.00267 86 4YY -0.00044 0.00934 0.02461 -0.03468 0.00559 87 4ZZ -0.00089 0.00543 -0.00011 0.03133 -0.01207 88 4XY 0.03315 -0.02530 -0.01052 -0.02774 0.00233 89 4XZ 0.03610 0.00901 -0.00063 0.01369 -0.00640 90 4YZ -0.01606 0.00939 0.00113 0.00123 0.00263 91 7 H 1S -0.17328 -0.27549 -0.17694 0.01096 -0.05792 92 2S 0.20577 -0.17642 -0.06787 -0.86352 0.13301 93 8 H 1S 0.18820 0.11664 0.15130 -0.07369 0.09803 94 2S -0.12503 -0.15332 -0.24655 -0.49977 -0.18104 95 9 H 1S 0.18820 0.11664 0.15130 0.07368 0.09803 96 2S -0.12503 -0.15332 -0.24652 0.49979 -0.18104 97 10 H 1S -0.07058 0.02066 0.08801 0.06266 0.03361 98 2S 0.19766 0.22048 -0.03848 -0.13050 -0.09518 99 11 H 1S -0.07059 0.02066 0.08800 -0.06267 0.03361 100 2S 0.19766 0.22048 -0.03847 0.13050 -0.09518 101 12 H 1S -0.17328 -0.27549 -0.17694 -0.01095 -0.05792 102 2S 0.20577 -0.17642 -0.06781 0.86353 0.13300 103 13 C 1S -0.01431 0.00144 0.01021 -0.00337 0.00155 104 2S -0.07870 0.05379 0.08827 0.05460 0.13033 105 2PX -0.00154 0.01215 0.00061 -0.02171 -0.23552 106 2PY 0.08152 -0.14036 -0.03140 0.15105 0.02900 107 2PZ -0.19755 0.00082 0.01150 -0.04055 -0.00149 108 3S -0.21529 0.31018 -0.24924 0.06209 -0.33392 109 3PX -0.06506 -0.22128 -0.12614 0.26990 0.25728 110 3PY -0.03218 0.42754 -0.07852 -0.90863 -0.14233 111 3PZ 0.71006 -0.01461 -0.13319 0.16140 -0.05159 112 4XX -0.00973 -0.01238 0.01483 0.03258 -0.00059 113 4YY -0.00112 0.03906 -0.00640 0.01821 0.00522 114 4ZZ -0.02405 -0.00851 0.01129 -0.04475 0.01801 115 4XY 0.00159 0.01427 0.05795 -0.01105 0.06475 116 4XZ 0.01088 -0.03285 0.02169 -0.05820 0.03920 117 4YZ 0.06529 0.02028 0.01704 -0.00414 0.01549 118 14 H 1S -0.04971 -0.00836 0.28285 -0.21547 0.26123 119 2S -0.31924 0.06006 -0.05754 0.23108 -0.26228 120 15 H 1S -0.13399 0.00775 -0.02972 0.24534 -0.17450 121 2S -0.19866 -0.24871 0.11790 0.14621 0.40881 122 16 C 1S -0.01431 0.00144 0.01021 0.00337 0.00155 123 2S -0.07870 0.05379 0.08826 -0.05460 0.13033 124 2PX -0.00154 0.01215 0.00061 0.02170 -0.23552 125 2PY -0.08152 0.14037 0.03141 0.15105 -0.02900 126 2PZ -0.19755 0.00082 0.01151 0.04055 -0.00149 127 3S -0.21529 0.31018 -0.24924 -0.06208 -0.33392 128 3PX -0.06506 -0.22128 -0.12616 -0.26989 0.25729 129 3PY 0.03218 -0.42754 0.07847 -0.90863 0.14234 130 3PZ 0.71007 -0.01460 -0.13320 -0.16139 -0.05159 131 4XX -0.00973 -0.01238 0.01483 -0.03258 -0.00059 132 4YY -0.00112 0.03906 -0.00640 -0.01821 0.00522 133 4ZZ -0.02405 -0.00851 0.01129 0.04475 0.01801 134 4XY -0.00159 -0.01427 -0.05795 -0.01105 -0.06475 135 4XZ 0.01088 -0.03285 0.02170 0.05820 0.03920 136 4YZ -0.06529 -0.02028 -0.01704 -0.00414 -0.01549 137 17 H 1S -0.13399 0.00775 -0.02973 -0.24534 -0.17450 138 2S -0.19865 -0.24871 0.11789 -0.14621 0.40882 139 18 H 1S -0.04971 -0.00836 0.28286 0.21546 0.26123 140 2S -0.31924 0.06006 -0.05755 -0.23108 -0.26228 141 19 O 1S -0.00228 0.00477 0.01091 0.00258 0.00365 142 2S 0.03327 0.20362 -0.12875 0.00837 -0.03431 143 2PX -0.11621 -0.16452 0.11467 0.09445 -0.05627 144 2PY -0.05494 -0.07745 -0.16285 -0.01581 -0.03906 145 2PZ 0.04619 0.10385 -0.05949 0.13503 -0.09413 146 3S 0.08729 -0.47798 0.21458 0.13047 0.07239 147 3PX 0.14072 -0.04413 -0.13124 -0.04627 0.14493 148 3PY 0.01065 0.00198 0.14898 -0.08606 0.04953 149 3PZ -0.08621 -0.10575 0.00561 -0.07983 0.17253 150 4XX 0.02034 0.04560 0.02137 0.00031 -0.03067 151 4YY -0.00069 0.05634 -0.09113 0.03294 -0.02225 152 4ZZ 0.01125 0.08585 -0.03368 -0.01156 0.03290 153 4XY 0.01725 0.00912 0.03635 -0.03032 -0.03039 154 4XZ -0.02289 -0.01176 -0.05259 -0.01332 -0.01910 155 4YZ 0.00364 -0.03773 -0.00780 0.00411 -0.03293 156 20 O 1S -0.00228 0.00477 0.01091 -0.00258 0.00365 157 2S 0.03326 0.20362 -0.12875 -0.00836 -0.03431 158 2PX -0.11621 -0.16452 0.11466 -0.09446 -0.05627 159 2PY 0.05494 0.07745 0.16285 -0.01581 0.03906 160 2PZ 0.04619 0.10385 -0.05949 -0.13503 -0.09413 161 3S 0.08730 -0.47798 0.21457 -0.13048 0.07239 162 3PX 0.14072 -0.04414 -0.13124 0.04628 0.14493 163 3PY -0.01065 -0.00198 -0.14898 -0.08605 -0.04953 164 3PZ -0.08622 -0.10575 0.00562 0.07983 0.17253 165 4XX 0.02034 0.04560 0.02137 -0.00031 -0.03067 166 4YY -0.00069 0.05634 -0.09113 -0.03293 -0.02225 167 4ZZ 0.01125 0.08585 -0.03368 0.01156 0.03290 168 4XY -0.01725 -0.00912 -0.03635 -0.03032 0.03039 169 4XZ -0.02290 -0.01176 -0.05259 0.01332 -0.01910 170 4YZ -0.00364 0.03773 0.00780 0.00411 0.03293 171 21 C 1S 0.01848 0.04862 -0.04327 0.00000 -0.00668 172 2S 0.14048 0.18561 0.30356 -0.00001 0.07901 173 2PX 0.00299 -0.23768 -0.30547 0.00001 0.52111 174 2PY 0.00000 0.00000 0.00000 -0.03516 0.00000 175 2PZ -0.03258 -0.29830 -0.13041 0.00001 0.54525 176 3S -0.28963 -0.54419 -0.33308 0.00001 -0.07949 177 3PX 0.17780 1.11563 0.89954 -0.00003 -0.98126 178 3PY 0.00000 0.00000 0.00000 0.07331 0.00000 179 3PZ -0.18591 0.59083 0.07308 -0.00001 -1.15923 180 4XX -0.00498 0.09623 -0.12697 0.00000 0.12281 181 4YY 0.04201 0.04464 0.11346 0.00000 0.02762 182 4ZZ 0.01957 -0.04305 0.01524 0.00000 -0.14230 183 4XY 0.00000 0.00000 0.00000 -0.00190 0.00000 184 4XZ 0.01847 0.03503 0.02836 0.00000 0.01315 185 4YZ 0.00000 0.00000 0.00000 -0.00206 0.00000 186 22 H 1S 0.17112 0.08886 -0.07451 0.00000 -0.57016 187 2S 0.10702 -0.21342 -0.17735 0.00001 1.38426 188 23 H 1S 0.10145 0.57534 -0.60146 0.00002 0.47781 189 2S 0.15616 0.46807 1.17190 -0.00004 -1.23794 91 92 93 94 95 V V V V V Eigenvalues -- 0.82848 0.84200 0.85444 0.86452 0.88062 1 1 C 1S 0.00555 0.01308 0.00607 0.01816 -0.01109 2 2S -0.01064 -0.08961 -0.07032 -0.16393 0.50822 3 2PX 0.16014 -0.04938 -0.02517 -0.00040 0.05722 4 2PY 0.21302 -0.00288 -0.25649 -0.16934 0.25810 5 2PZ 0.22341 0.06554 0.29134 0.28253 -0.26170 6 3S 0.49680 0.22584 -0.51304 -0.15101 -1.11361 7 3PX -0.46940 0.01217 0.26964 0.03934 -0.20845 8 3PY -0.67221 0.03790 1.14427 0.74948 -0.63867 9 3PZ -0.70188 -0.10924 -1.05126 -0.96488 0.65952 10 4XX 0.00820 0.04421 -0.01357 -0.03292 0.03614 11 4YY 0.03563 -0.02127 -0.04280 -0.02819 0.02240 12 4ZZ -0.02530 0.01331 0.01391 0.03296 0.01201 13 4XY 0.00251 -0.00437 0.00558 0.00750 -0.06110 14 4XZ 0.00362 -0.06525 -0.00796 -0.00123 0.00478 15 4YZ 0.01168 -0.03944 -0.01747 -0.02245 0.06383 16 2 C 1S -0.00555 0.01308 -0.00607 -0.01816 -0.01109 17 2S 0.01064 -0.08962 0.07032 0.16393 0.50822 18 2PX -0.16014 -0.04938 0.02517 0.00040 0.05722 19 2PY 0.21302 0.00288 -0.25649 -0.16935 -0.25810 20 2PZ -0.22341 0.06555 -0.29135 -0.28254 -0.26170 21 3S -0.49679 0.22584 0.51304 0.15100 -1.11362 22 3PX 0.46940 0.01217 -0.26964 -0.03934 -0.20845 23 3PY -0.67221 -0.03791 1.14427 0.74949 0.63867 24 3PZ 0.70188 -0.10925 1.05126 0.96489 0.65953 25 4XX -0.00820 0.04421 0.01357 0.03292 0.03614 26 4YY -0.03563 -0.02127 0.04280 0.02819 0.02240 27 4ZZ 0.02530 0.01331 -0.01391 -0.03296 0.01201 28 4XY 0.00251 0.00437 0.00558 0.00750 0.06110 29 4XZ -0.00362 -0.06525 0.00796 0.00123 0.00478 30 4YZ 0.01168 0.03944 -0.01747 -0.02245 -0.06383 31 3 C 1S 0.00195 0.00721 -0.00749 0.00082 0.00289 32 2S -0.10212 0.10687 0.08925 -0.16331 0.10381 33 2PX -0.12943 0.06522 0.00990 -0.08905 -0.07343 34 2PY -0.17559 -0.05038 -0.00832 -0.09110 0.05778 35 2PZ -0.30210 0.03920 0.01425 -0.21701 -0.02469 36 3S 1.31983 -0.35582 -0.73826 0.80175 -0.42174 37 3PX 0.67139 0.13341 -0.15267 -0.31696 -0.02030 38 3PY 0.65046 0.02321 -0.58144 0.31066 -0.33153 39 3PZ 1.45863 -0.65490 -0.10440 0.98679 -0.13474 40 4XX 0.02342 -0.03785 0.02419 0.01865 -0.00873 41 4YY -0.02318 0.00518 -0.06655 -0.02647 0.01666 42 4ZZ 0.02707 0.05427 0.03687 -0.00008 -0.00786 43 4XY -0.02864 0.01254 -0.03633 -0.01207 -0.01124 44 4XZ -0.02591 0.01193 0.00301 -0.00972 -0.01886 45 4YZ 0.00491 -0.00139 0.02491 -0.01342 0.01351 46 4 C 1S -0.01252 0.00740 -0.02295 0.00876 -0.01516 47 2S 0.12981 -0.05223 0.05672 -0.18439 0.32558 48 2PX 0.04676 0.08955 0.20734 -0.12037 0.21646 49 2PY 0.15761 -0.05243 -0.41078 -0.00816 -0.21230 50 2PZ 0.15126 -0.08433 -0.50892 0.14642 -0.32038 51 3S -0.51806 -0.45058 1.39772 0.44430 -0.68862 52 3PX -0.14538 -0.06155 -1.00471 0.16070 -0.50487 53 3PY -0.33189 0.38326 1.91116 -0.43660 0.43513 54 3PZ -0.87725 0.24561 1.78188 -0.54983 0.66271 55 4XX 0.01216 0.01698 -0.00077 -0.01959 0.00475 56 4YY -0.01564 -0.02271 0.07392 -0.00890 0.02088 57 4ZZ -0.00371 -0.00332 -0.02506 -0.00452 0.02018 58 4XY 0.00724 0.01082 0.02289 -0.00056 0.06041 59 4XZ 0.01642 -0.01262 0.02856 0.00405 0.02719 60 4YZ -0.01604 0.04143 -0.02386 0.00122 -0.04458 61 5 C 1S 0.01252 0.00740 0.02295 -0.00876 -0.01516 62 2S -0.12981 -0.05223 -0.05672 0.18439 0.32558 63 2PX -0.04676 0.08955 -0.20734 0.12037 0.21646 64 2PY 0.15761 0.05243 -0.41078 -0.00816 0.21230 65 2PZ -0.15126 -0.08433 0.50893 -0.14643 -0.32038 66 3S 0.51807 -0.45058 -1.39772 -0.44431 -0.68864 67 3PX 0.14539 -0.06155 1.00472 -0.16071 -0.50487 68 3PY -0.33188 -0.38324 1.91117 -0.43661 -0.43511 69 3PZ 0.87725 0.24560 -1.78189 0.54984 0.66270 70 4XX -0.01216 0.01698 0.00077 0.01959 0.00475 71 4YY 0.01564 -0.02271 -0.07392 0.00890 0.02088 72 4ZZ 0.00371 -0.00332 0.02506 0.00452 0.02018 73 4XY 0.00724 -0.01082 0.02289 -0.00056 -0.06041 74 4XZ -0.01642 -0.01262 -0.02856 -0.00405 0.02719 75 4YZ -0.01604 -0.04143 -0.02386 0.00122 0.04458 76 6 C 1S -0.00195 0.00721 0.00749 -0.00082 0.00289 77 2S 0.10212 0.10686 -0.08925 0.16331 0.10382 78 2PX 0.12943 0.06522 -0.00990 0.08905 -0.07343 79 2PY -0.17559 0.05038 -0.00832 -0.09110 -0.05776 80 2PZ 0.30210 0.03920 -0.01425 0.21701 -0.02469 81 3S -1.31983 -0.35581 0.73826 -0.80176 -0.42176 82 3PX -0.67139 0.13340 0.15267 0.31696 -0.02031 83 3PY 0.65045 -0.02321 -0.58144 0.31067 0.33148 84 3PZ -1.45863 -0.65489 0.10440 -0.98680 -0.13472 85 4XX -0.02342 -0.03785 -0.02419 -0.01865 -0.00873 86 4YY 0.02318 0.00518 0.06655 0.02647 0.01666 87 4ZZ -0.02707 0.05427 -0.03687 0.00008 -0.00785 88 4XY -0.02864 -0.01254 -0.03633 -0.01207 0.01124 89 4XZ 0.02591 0.01193 -0.00301 0.00972 -0.01886 90 4YZ 0.00491 0.00139 0.02491 -0.01342 -0.01351 91 7 H 1S -0.08098 0.10624 0.17393 0.29658 -0.25831 92 2S -0.10084 -0.29681 -1.03344 -1.01081 1.13479 93 8 H 1S -0.02202 0.18700 -0.33076 0.12623 -0.31011 94 2S -0.20963 0.14505 1.68774 -0.54862 1.02986 95 9 H 1S 0.02202 0.18701 0.33077 -0.12624 -0.31011 96 2S 0.20963 0.14503 -1.68775 0.54864 1.02986 97 10 H 1S 0.12857 -0.00659 0.09350 0.03811 0.09090 98 2S -0.41172 0.07213 -0.03993 -0.16160 -0.21999 99 11 H 1S -0.12857 -0.00659 -0.09350 -0.03811 0.09092 100 2S 0.41172 0.07214 0.03994 0.16160 -0.22005 101 12 H 1S 0.08098 0.10624 -0.17393 -0.29658 -0.25831 102 2S 0.10084 -0.29682 1.03345 1.01082 1.13481 103 13 C 1S 0.00423 -0.02741 -0.01106 -0.00278 0.00150 104 2S -0.03665 0.15804 0.09056 0.01930 -0.21410 105 2PX -0.44418 -0.14792 -0.10407 0.52801 -0.14546 106 2PY -0.27036 0.00844 -0.08175 -0.16918 -0.08296 107 2PZ 0.19343 -0.03844 0.05178 0.28757 -0.07735 108 3S 0.28393 0.53465 -0.55471 0.23661 0.68769 109 3PX 1.76125 0.16810 0.19962 -1.46090 0.23108 110 3PY 1.12618 0.41220 0.23456 0.90732 0.27287 111 3PZ -1.14832 0.00305 -0.22236 -1.25956 0.15546 112 4XX 0.01208 -0.05669 -0.00739 0.00066 -0.03148 113 4YY -0.02301 0.07263 -0.00056 -0.01253 -0.01328 114 4ZZ 0.01971 0.00385 -0.00273 0.01612 0.02269 115 4XY 0.00129 0.00783 0.00342 -0.01744 0.00925 116 4XZ -0.03413 -0.05676 0.02085 -0.05665 -0.00038 117 4YZ -0.00515 -0.03144 0.00385 -0.00880 0.02773 118 14 H 1S 0.04187 -0.35027 0.07793 -0.18903 0.05199 119 2S -0.37854 0.12327 -0.04979 1.11144 -0.41118 120 15 H 1S 0.04813 -0.26692 -0.07589 0.13736 -0.10354 121 2S 0.75541 -0.00866 0.30065 -0.95979 0.01288 122 16 C 1S -0.00423 -0.02741 0.01106 0.00278 0.00150 123 2S 0.03666 0.15804 -0.09056 -0.01930 -0.21411 124 2PX 0.44417 -0.14791 0.10407 -0.52802 -0.14544 125 2PY -0.27036 -0.00843 -0.08175 -0.16918 0.08296 126 2PZ -0.19343 -0.03843 -0.05178 -0.28757 -0.07735 127 3S -0.28393 0.53465 0.55471 -0.23659 0.68771 128 3PX -1.76125 0.16808 -0.19962 1.46091 0.23104 129 3PY 1.12618 -0.41221 0.23456 0.90731 -0.27289 130 3PZ 1.14832 0.00304 0.22236 1.25956 0.15545 131 4XX -0.01208 -0.05669 0.00739 -0.00066 -0.03148 132 4YY 0.02301 0.07263 0.00056 0.01253 -0.01328 133 4ZZ -0.01971 0.00386 0.00273 -0.01612 0.02269 134 4XY 0.00129 -0.00783 0.00342 -0.01744 -0.00925 135 4XZ 0.03413 -0.05676 -0.02085 0.05665 -0.00038 136 4YZ -0.00515 0.03144 0.00385 -0.00880 -0.02774 137 17 H 1S -0.04813 -0.26692 0.07589 -0.13736 -0.10353 138 2S -0.75541 -0.00867 -0.30065 0.95979 0.01284 139 18 H 1S -0.04187 -0.35027 -0.07793 0.18903 0.05198 140 2S 0.37854 0.12328 0.04980 -1.11145 -0.41116 141 19 O 1S -0.00236 0.00789 -0.00257 -0.00554 0.01244 142 2S 0.06279 -0.25677 -0.07320 -0.04126 0.02684 143 2PX 0.06070 0.11490 -0.02353 -0.03456 0.04238 144 2PY 0.04017 -0.16465 -0.01476 0.06043 -0.12123 145 2PZ 0.06621 -0.17195 -0.01508 -0.05709 0.02557 146 3S -0.00323 0.07246 0.34684 0.21174 -0.26318 147 3PX 0.04193 -0.21819 0.09146 0.12906 -0.10917 148 3PY -0.00228 0.33363 -0.07958 -0.14764 0.35050 149 3PZ 0.01078 0.08129 0.06607 0.10997 -0.06767 150 4XX 0.02114 -0.09697 -0.02556 0.00551 0.02672 151 4YY 0.00189 -0.08518 -0.00190 -0.01518 -0.03002 152 4ZZ 0.02920 -0.06050 -0.03114 -0.02673 0.02916 153 4XY 0.00181 -0.04623 -0.02083 -0.02518 0.00423 154 4XZ -0.01734 0.02519 0.00441 0.02155 -0.01472 155 4YZ -0.00595 0.01658 0.00429 -0.00001 -0.01252 156 20 O 1S 0.00236 0.00789 0.00257 0.00554 0.01244 157 2S -0.06279 -0.25677 0.07320 0.04126 0.02684 158 2PX -0.06070 0.11490 0.02353 0.03456 0.04238 159 2PY 0.04018 0.16465 -0.01476 0.06043 0.12123 160 2PZ -0.06621 -0.17195 0.01508 0.05709 0.02558 161 3S 0.00323 0.07246 -0.34684 -0.21174 -0.26319 162 3PX -0.04193 -0.21819 -0.09146 -0.12906 -0.10917 163 3PY -0.00228 -0.33363 -0.07958 -0.14765 -0.35050 164 3PZ -0.01078 0.08129 -0.06607 -0.10997 -0.06768 165 4XX -0.02114 -0.09697 0.02556 -0.00551 0.02672 166 4YY -0.00189 -0.08518 0.00190 0.01518 -0.03002 167 4ZZ -0.02920 -0.06050 0.03114 0.02673 0.02916 168 4XY 0.00181 0.04623 -0.02083 -0.02518 -0.00423 169 4XZ 0.01734 0.02519 -0.00441 -0.02155 -0.01472 170 4YZ -0.00595 -0.01658 0.00429 -0.00001 0.01252 171 21 C 1S 0.00000 -0.03053 0.00000 0.00000 0.01444 172 2S 0.00000 -0.59666 0.00000 0.00000 -0.09404 173 2PX 0.00000 -0.17588 0.00000 0.00000 0.01053 174 2PY 0.01730 0.00000 0.01738 -0.05015 0.00000 175 2PZ 0.00000 -0.18805 0.00000 0.00000 -0.07999 176 3S 0.00000 1.37844 0.00000 0.00001 0.35982 177 3PX 0.00000 0.66860 0.00000 0.00001 0.14494 178 3PY -0.02805 0.00000 -0.07680 0.08517 0.00000 179 3PZ 0.00000 0.38162 0.00000 0.00000 -0.06881 180 4XX 0.00000 0.03379 0.00000 0.00000 0.00603 181 4YY 0.00000 -0.03079 0.00000 0.00000 0.02716 182 4ZZ 0.00000 -0.08749 0.00000 0.00000 -0.00005 183 4XY 0.00196 0.00000 0.00516 -0.02281 0.00000 184 4XZ 0.00000 -0.00031 0.00000 0.00000 0.04129 185 4YZ 0.01320 0.00000 0.00649 0.01569 0.00000 186 22 H 1S 0.00000 -0.26658 0.00000 0.00000 0.15197 187 2S 0.00000 -0.39439 0.00000 -0.00001 -0.15729 188 23 H 1S 0.00000 0.03473 0.00000 0.00000 0.07702 189 2S 0.00000 -0.04126 0.00000 0.00000 -0.07072 96 97 98 99 100 V V V V V Eigenvalues -- 0.88447 0.88520 0.88709 0.89806 0.91380 1 1 C 1S 0.00220 -0.00501 -0.00753 0.00499 0.00012 2 2S -0.38724 -0.08314 0.25000 -0.04371 -0.02174 3 2PX 0.07943 -0.03172 -0.00792 -0.06977 -0.09947 4 2PY -0.17682 -0.06651 0.09093 -0.09679 -0.06939 5 2PZ 0.28435 -0.02214 -0.37536 -0.00110 0.07444 6 3S 0.95353 0.40594 -0.66100 0.07923 0.08829 7 3PX -0.03029 0.06377 0.00010 0.17630 0.23660 8 3PY 0.45571 -0.18128 -0.25469 0.22500 0.08169 9 3PZ -0.50697 0.12116 1.04821 -0.11537 -0.15187 10 4XX -0.02983 -0.00463 0.03129 -0.00714 -0.01455 11 4YY -0.01580 -0.00214 0.01785 0.01744 0.00752 12 4ZZ -0.01390 0.00099 -0.01030 -0.02252 0.00086 13 4XY 0.04687 0.00610 -0.00207 0.00814 0.01544 14 4XZ -0.02048 -0.00504 0.01020 0.02424 -0.03476 15 4YZ -0.06444 0.00487 0.02106 0.02712 0.00869 16 2 C 1S 0.00220 0.00501 0.00753 0.00499 0.00012 17 2S -0.38724 0.08316 -0.24997 -0.04372 -0.02174 18 2PX 0.07943 0.03172 0.00793 -0.06977 -0.09947 19 2PY 0.17682 -0.06652 0.09091 0.09679 0.06939 20 2PZ 0.28435 0.02212 0.37535 -0.00109 0.07444 21 3S 0.95354 -0.40598 0.66094 0.07924 0.08829 22 3PX -0.03029 -0.06377 -0.00011 0.17630 0.23660 23 3PY -0.45572 -0.18125 -0.25466 -0.22500 -0.08168 24 3PZ -0.50699 -0.12114 -1.04817 -0.11538 -0.15187 25 4XX -0.02983 0.00463 -0.03129 -0.00714 -0.01455 26 4YY -0.01580 0.00214 -0.01785 0.01744 0.00752 27 4ZZ -0.01390 -0.00099 0.01030 -0.02252 0.00086 28 4XY -0.04687 0.00610 -0.00207 -0.00814 -0.01544 29 4XZ -0.02048 0.00504 -0.01020 0.02424 -0.03476 30 4YZ 0.06444 0.00487 0.02106 -0.02712 -0.00869 31 3 C 1S 0.00204 -0.02132 -0.02364 0.01638 0.00617 32 2S -0.17423 0.37310 0.21111 -0.23059 -0.11131 33 2PX 0.05508 -0.12790 0.11732 0.05375 -0.01999 34 2PY 0.20849 -0.61732 -0.14318 0.23580 0.26381 35 2PZ -0.04357 0.12053 -0.21352 0.06375 -0.02662 36 3S -0.05861 0.01168 -1.22528 0.36612 0.31476 37 3PX -0.17906 0.88345 -0.94716 0.22980 -0.03555 38 3PY -0.71104 1.86257 0.13941 -0.79181 -0.44726 39 3PZ 0.05895 -0.94022 1.13362 -0.41096 0.33470 40 4XX -0.02041 0.06443 0.01706 -0.05979 -0.03339 41 4YY 0.00907 -0.07694 -0.04765 0.01929 0.04419 42 4ZZ -0.02909 0.06039 0.02170 0.01068 -0.02952 43 4XY -0.00811 0.03111 -0.04834 0.01335 -0.00572 44 4XZ 0.02294 -0.02801 0.00809 0.03226 0.00735 45 4YZ 0.03279 -0.05425 0.02197 -0.00044 0.01766 46 4 C 1S -0.01242 -0.00114 -0.00703 -0.00841 -0.00499 47 2S -0.10136 0.10237 0.11926 0.22270 -0.10202 48 2PX 0.21990 -0.18674 0.33412 0.08982 -0.06204 49 2PY -0.10614 -0.10962 0.16561 -0.19111 0.06325 50 2PZ -0.25680 0.20319 -0.27830 -0.25501 -0.00516 51 3S 0.10954 -1.06324 -0.04699 -0.90084 0.45970 52 3PX -0.58349 1.30302 -1.38181 -0.31219 -0.05061 53 3PY 0.27891 0.62252 -1.08314 0.73568 -0.14548 54 3PZ 0.63647 -1.23462 1.13547 0.67370 0.09029 55 4XX -0.00079 -0.02080 0.02329 0.04775 0.01920 56 4YY -0.02578 0.02140 -0.01020 -0.00915 -0.01483 57 4ZZ 0.02256 -0.02085 0.01903 -0.00776 -0.02187 58 4XY 0.03462 0.00792 0.03025 0.00223 -0.02178 59 4XZ 0.02781 0.03835 -0.00097 0.00091 -0.00507 60 4YZ -0.03845 -0.00374 -0.02881 0.00357 -0.01491 61 5 C 1S -0.01241 0.00114 0.00703 -0.00841 -0.00499 62 2S -0.10137 -0.10235 -0.11925 0.22270 -0.10202 63 2PX 0.21990 0.18675 -0.33412 0.08981 -0.06204 64 2PY 0.10614 -0.10962 0.16561 0.19112 -0.06325 65 2PZ -0.25680 -0.20320 0.27831 -0.25500 -0.00516 66 3S 0.10956 1.06321 0.04698 -0.90086 0.45970 67 3PX -0.58347 -1.30302 1.38182 -0.31214 -0.05061 68 3PY -0.27892 0.62251 -1.08314 -0.73572 0.14548 69 3PZ 0.63646 1.23464 -1.13548 0.67366 0.09029 70 4XX -0.00079 0.02080 -0.02330 0.04775 0.01920 71 4YY -0.02578 -0.02140 0.01020 -0.00915 -0.01483 72 4ZZ 0.02256 0.02085 -0.01903 -0.00776 -0.02187 73 4XY -0.03462 0.00792 0.03025 -0.00223 0.02178 74 4XZ 0.02780 -0.03835 0.00097 0.00091 -0.00507 75 4YZ 0.03845 -0.00374 -0.02881 -0.00357 0.01491 76 6 C 1S 0.00204 0.02132 0.02364 0.01638 0.00617 77 2S -0.17424 -0.37310 -0.21110 -0.23058 -0.11131 78 2PX 0.05508 0.12790 -0.11732 0.05374 -0.01999 79 2PY -0.20851 -0.61732 -0.14317 -0.23579 -0.26381 80 2PZ -0.04357 -0.12053 0.21352 0.06376 -0.02662 81 3S -0.05857 -0.01169 1.22527 0.36614 0.31477 82 3PX -0.17905 -0.88345 0.94715 0.22984 -0.03555 83 3PY 0.71108 1.86259 0.13939 0.79178 0.44726 84 3PZ 0.05894 0.94021 -1.13362 -0.41101 0.33469 85 4XX -0.02041 -0.06444 -0.01705 -0.05979 -0.03339 86 4YY 0.00907 0.07694 0.04765 0.01929 0.04419 87 4ZZ -0.02909 -0.06039 -0.02169 0.01068 -0.02952 88 4XY 0.00811 0.03111 -0.04834 -0.01335 0.00572 89 4XZ 0.02294 0.02801 -0.00810 0.03226 0.00734 90 4YZ -0.03279 -0.05425 0.02197 0.00044 -0.01766 91 7 H 1S 0.24896 0.00928 -0.27859 -0.07534 -0.00264 92 2S -0.92222 0.04130 0.95959 -0.06892 -0.14634 93 8 H 1S -0.16981 0.02116 -0.15788 0.01066 0.02068 94 2S 0.72220 -0.47390 0.73517 0.79013 -0.07341 95 9 H 1S -0.16980 -0.02116 0.15788 0.01066 0.02069 96 2S 0.72218 0.47392 -0.73518 0.79011 -0.07341 97 10 H 1S 0.13016 0.39966 0.18894 0.23000 0.27825 98 2S -0.57776 -1.60458 -0.50468 -0.77171 -0.58697 99 11 H 1S 0.13015 -0.39966 -0.18894 0.23000 0.27825 100 2S -0.57771 1.60457 0.50470 -0.77173 -0.58697 101 12 H 1S 0.24897 -0.00930 0.27858 -0.07534 -0.00264 102 2S -0.92224 -0.04125 -0.95954 -0.06893 -0.14634 103 13 C 1S -0.00450 0.00102 0.00613 -0.00793 0.01274 104 2S -0.25323 -0.11009 -0.07400 0.11569 0.04846 105 2PX -0.16336 0.01642 0.31230 0.45772 0.26049 106 2PY -0.05493 0.04235 -0.17682 -0.02623 -0.05501 107 2PZ -0.21144 -0.24058 0.06590 0.10694 -0.08722 108 3S 0.66024 0.52226 0.30565 0.28231 -0.28248 109 3PX 0.12412 -0.05354 -0.62362 -0.85886 -0.44187 110 3PY 0.09504 -0.61045 0.91047 0.16133 -0.14782 111 3PZ 0.23859 0.89592 -0.51132 -0.35074 0.06817 112 4XX -0.02808 -0.01884 0.02318 0.00417 0.02410 113 4YY -0.04042 -0.00670 -0.01682 0.03685 -0.02466 114 4ZZ 0.01957 0.02095 -0.00669 -0.01721 0.01582 115 4XY 0.06974 -0.01139 -0.01405 -0.01026 -0.01551 116 4XZ 0.01373 -0.00999 -0.03610 -0.07604 -0.01092 117 4YZ 0.05884 0.04881 0.00013 0.00329 0.02981 118 14 H 1S 0.31816 0.01599 -0.13429 -0.28637 0.11481 119 2S -0.63522 -0.37004 0.35542 0.78169 0.15400 120 15 H 1S -0.21854 -0.04666 0.24270 0.08326 0.20413 121 2S 0.08777 -0.21093 -0.71004 -0.71801 -0.26939 122 16 C 1S -0.00450 -0.00102 -0.00613 -0.00793 0.01274 123 2S -0.25323 0.11009 0.07400 0.11569 0.04846 124 2PX -0.16336 -0.01641 -0.31231 0.45771 0.26049 125 2PY 0.05493 0.04235 -0.17682 0.02622 0.05501 126 2PZ -0.21144 0.24059 -0.06590 0.10694 -0.08722 127 3S 0.66023 -0.52225 -0.30565 0.28231 -0.28248 128 3PX 0.12412 0.05353 0.62364 -0.85885 -0.44187 129 3PY -0.09503 -0.61046 0.91046 -0.16129 0.14782 130 3PZ 0.23859 -0.89592 0.51133 -0.35071 0.06817 131 4XX -0.02808 0.01884 -0.02318 0.00417 0.02410 132 4YY -0.04042 0.00670 0.01682 0.03685 -0.02466 133 4ZZ 0.01957 -0.02095 0.00669 -0.01721 0.01582 134 4XY -0.06974 -0.01139 -0.01405 0.01026 0.01551 135 4XZ 0.01373 0.00998 0.03610 -0.07604 -0.01092 136 4YZ -0.05884 0.04881 0.00013 -0.00329 -0.02981 137 17 H 1S -0.21855 0.04667 -0.24270 0.08325 0.20413 138 2S 0.08777 0.21092 0.71005 -0.71800 -0.26939 139 18 H 1S 0.31816 -0.01600 0.13429 -0.28637 0.11481 140 2S -0.63522 0.37005 -0.35543 0.78167 0.15400 141 19 O 1S -0.00685 0.00094 0.00074 -0.00210 -0.00072 142 2S 0.00172 -0.05296 0.03013 0.01584 -0.14995 143 2PX -0.03432 0.01019 0.04322 -0.03441 -0.00859 144 2PY 0.08608 -0.05061 -0.00112 0.07910 -0.21781 145 2PZ -0.00086 0.01220 0.07996 0.00875 0.02313 146 3S 0.09106 0.03927 -0.20299 0.09985 0.12772 147 3PX -0.00540 -0.02911 -0.07825 0.10960 0.15099 148 3PY -0.23194 0.08948 0.01162 -0.19095 0.31814 149 3PZ 0.02337 -0.02368 -0.18140 0.02403 -0.09424 150 4XX -0.01640 -0.00977 0.01003 0.01989 -0.04631 151 4YY 0.04406 -0.01017 -0.00337 -0.01378 -0.03800 152 4ZZ -0.02350 -0.02938 0.01239 0.02537 -0.07803 153 4XY -0.00024 0.00686 0.01241 0.01134 -0.02722 154 4XZ 0.01930 0.00930 -0.00562 -0.01337 0.01233 155 4YZ 0.01466 0.00507 -0.00058 -0.02860 0.02707 156 20 O 1S -0.00685 -0.00094 -0.00074 -0.00210 -0.00072 157 2S 0.00172 0.05296 -0.03013 0.01584 -0.14995 158 2PX -0.03432 -0.01019 -0.04321 -0.03441 -0.00859 159 2PY -0.08608 -0.05060 -0.00112 -0.07910 0.21781 160 2PZ -0.00086 -0.01220 -0.07996 0.00875 0.02313 161 3S 0.09106 -0.03928 0.20297 0.09985 0.12772 162 3PX -0.00540 0.02911 0.07825 0.10960 0.15099 163 3PY 0.23194 0.08947 0.01160 0.19095 -0.31814 164 3PZ 0.02338 0.02368 0.18140 0.02403 -0.09424 165 4XX -0.01640 0.00977 -0.01003 0.01989 -0.04631 166 4YY 0.04406 0.01017 0.00337 -0.01378 -0.03800 167 4ZZ -0.02350 0.02938 -0.01239 0.02537 -0.07803 168 4XY 0.00024 0.00686 0.01241 -0.01134 0.02722 169 4XZ 0.01930 -0.00930 0.00562 -0.01337 0.01233 170 4YZ -0.01466 0.00507 -0.00058 0.02860 -0.02707 171 21 C 1S -0.00137 0.00000 0.00000 -0.01679 0.00572 172 2S 0.11466 0.00000 -0.00001 0.34567 -0.95909 173 2PX -0.15841 0.00000 0.00000 0.02431 0.45053 174 2PY 0.00000 0.01375 -0.05810 0.00000 0.00000 175 2PZ -0.09601 0.00000 0.00000 0.31346 -0.24954 176 3S -0.37790 0.00000 0.00002 -0.90496 2.60466 177 3PX 0.29779 0.00000 0.00000 -0.21023 -0.67178 178 3PY 0.00000 0.00294 0.18101 0.00000 0.00000 179 3PZ 0.50339 -0.00001 0.00000 -0.63957 0.15423 180 4XX 0.00018 0.00000 0.00000 0.01000 -0.01693 181 4YY -0.02877 0.00000 0.00000 0.05328 -0.06138 182 4ZZ 0.02663 0.00000 0.00000 -0.06104 0.01437 183 4XY 0.00000 -0.00193 -0.01272 0.00000 0.00000 184 4XZ -0.04080 0.00000 0.00000 -0.00318 0.00558 185 4YZ 0.00000 -0.01884 -0.01643 0.00000 0.00000 186 22 H 1S -0.00458 0.00000 0.00001 -0.39987 0.39481 187 2S -0.32289 0.00001 -0.00001 1.09946 -0.93439 188 23 H 1S -0.05150 0.00000 0.00000 -0.12146 0.34716 189 2S 0.41042 0.00000 -0.00001 0.03978 -1.26464 101 102 103 104 105 V V V V V Eigenvalues -- 0.93717 0.94028 0.95122 1.00797 1.01440 1 1 C 1S 0.00269 -0.01083 0.00758 0.01582 0.00960 2 2S -0.10715 0.13804 -0.13114 0.81391 0.22052 3 2PX 0.06102 0.16639 0.02465 0.07807 0.09902 4 2PY 0.19485 0.15637 0.10342 -0.03333 -0.02808 5 2PZ 0.04507 -0.26769 0.05772 -0.15584 -0.01284 6 3S 0.20989 -0.52832 0.06232 -2.52056 -0.45009 7 3PX 0.08618 -0.23836 0.23138 -0.17182 -0.29560 8 3PY -0.48064 -0.37842 -0.16722 0.52516 -0.13390 9 3PZ -0.86790 0.52102 -0.70190 0.65636 0.06606 10 4XX 0.00889 0.02847 -0.01588 0.03440 -0.02802 11 4YY 0.01794 0.00037 0.00433 0.01008 0.03103 12 4ZZ -0.04428 -0.01221 -0.01946 0.05311 0.02128 13 4XY -0.00087 0.05106 -0.00012 0.00127 -0.05781 14 4XZ 0.05258 0.01033 0.03499 -0.04569 0.03843 15 4YZ 0.02782 0.04389 0.02377 -0.00559 -0.03691 16 2 C 1S -0.00269 -0.01083 -0.00758 -0.01582 0.00960 17 2S 0.10715 0.13804 0.13113 -0.81391 0.22051 18 2PX -0.06102 0.16640 -0.02465 -0.07807 0.09902 19 2PY 0.19485 -0.15637 0.10342 -0.03333 0.02808 20 2PZ -0.04508 -0.26769 -0.05772 0.15584 -0.01284 21 3S -0.20990 -0.52832 -0.06231 2.52056 -0.45006 22 3PX -0.08618 -0.23836 -0.23138 0.17182 -0.29560 23 3PY -0.48063 0.37843 -0.16722 0.52516 0.13391 24 3PZ 0.86792 0.52101 0.70190 -0.65636 0.06606 25 4XX -0.00889 0.02847 0.01588 -0.03440 -0.02802 26 4YY -0.01794 0.00037 -0.00433 -0.01008 0.03103 27 4ZZ 0.04428 -0.01221 0.01946 -0.05311 0.02128 28 4XY -0.00087 -0.05106 -0.00012 0.00127 0.05781 29 4XZ -0.05258 0.01033 -0.03499 0.04569 0.03843 30 4YZ 0.02782 -0.04389 0.02378 -0.00559 0.03691 31 3 C 1S 0.00660 -0.00250 0.01119 -0.00773 0.00070 32 2S 0.19117 -0.44869 -0.08964 -0.43183 -0.03825 33 2PX -0.19670 -0.04235 -0.30455 0.04075 0.10258 34 2PY -0.04368 0.38616 0.15205 0.08633 0.05203 35 2PZ 0.10031 0.01493 0.18356 0.09754 -0.04439 36 3S -0.44980 1.17936 1.33081 2.11470 -0.29553 37 3PX 0.90160 0.28372 1.62828 0.82945 -0.60288 38 3PY 0.21391 -0.81412 -0.13517 -0.22285 0.44529 39 3PZ -0.83544 -0.55098 -1.55439 -0.49943 0.59846 40 4XX 0.03643 -0.04932 -0.00152 0.04642 -0.04199 41 4YY 0.04184 0.00233 0.02674 -0.08330 0.09380 42 4ZZ -0.04566 -0.02307 -0.00242 0.00310 -0.06592 43 4XY -0.00982 0.02778 -0.01680 -0.05920 -0.03021 44 4XZ -0.02714 0.01994 -0.07267 -0.00968 -0.02949 45 4YZ -0.01716 -0.00140 -0.01103 -0.04280 0.04316 46 4 C 1S -0.00092 0.00627 -0.00337 -0.01327 -0.01534 47 2S 0.33666 -0.25501 0.25450 -0.46611 -0.49554 48 2PX 0.00599 -0.10590 -0.04303 -0.12725 0.10285 49 2PY -0.06948 0.08034 -0.27282 -0.27562 0.19480 50 2PZ -0.04213 0.18662 0.06741 0.14919 0.07566 51 3S -1.22586 0.00892 -0.85465 1.85150 1.67557 52 3PX 0.12596 0.23182 0.91464 1.13464 -0.08736 53 3PY 0.46914 0.26453 2.07350 2.34300 -0.98787 54 3PZ -0.05991 -0.30525 -0.84465 -1.23814 -0.24907 55 4XX 0.00623 -0.01926 -0.00076 -0.02104 -0.01978 56 4YY 0.01670 -0.04810 0.03745 0.02620 -0.02332 57 4ZZ 0.02343 0.03338 -0.01378 -0.06153 -0.02421 58 4XY -0.01124 -0.02314 -0.01310 0.00548 -0.00855 59 4XZ 0.00245 -0.03610 0.03192 0.06789 0.02815 60 4YZ 0.00736 0.08453 0.01240 -0.03105 -0.05321 61 5 C 1S 0.00092 0.00627 0.00337 0.01327 -0.01534 62 2S -0.33666 -0.25500 -0.25449 0.46611 -0.49553 63 2PX -0.00599 -0.10590 0.04303 0.12725 0.10285 64 2PY -0.06948 -0.08034 -0.27282 -0.27562 -0.19481 65 2PZ 0.04213 0.18662 -0.06741 -0.14919 0.07566 66 3S 1.22586 0.00890 0.85465 -1.85148 1.67555 67 3PX -0.12595 0.23181 -0.91464 -1.13465 -0.08737 68 3PY 0.46913 -0.26452 2.07350 2.34300 0.98789 69 3PZ 0.05991 -0.30523 0.84466 1.23814 -0.24905 70 4XX -0.00623 -0.01926 0.00076 0.02104 -0.01978 71 4YY -0.01670 -0.04810 -0.03745 -0.02620 -0.02332 72 4ZZ -0.02343 0.03338 0.01378 0.06152 -0.02421 73 4XY -0.01124 0.02314 -0.01310 0.00548 0.00855 74 4XZ -0.00245 -0.03610 -0.03192 -0.06789 0.02815 75 4YZ 0.00736 -0.08453 0.01240 -0.03105 0.05321 76 6 C 1S -0.00660 -0.00250 -0.01119 0.00773 0.00070 77 2S -0.19118 -0.44868 0.08964 0.43183 -0.03825 78 2PX 0.19670 -0.04235 0.30455 -0.04075 0.10258 79 2PY -0.04369 -0.38616 0.15205 0.08633 -0.05203 80 2PZ -0.10031 0.01493 -0.18356 -0.09754 -0.04439 81 3S 0.44982 1.17932 -1.33083 -2.11471 -0.29554 82 3PX -0.90159 0.28372 -1.62829 -0.82945 -0.60289 83 3PY 0.21393 0.81411 -0.13516 -0.22285 -0.44529 84 3PZ 0.83542 -0.55099 1.55440 0.49944 0.59847 85 4XX -0.03643 -0.04932 0.00153 -0.04642 -0.04199 86 4YY -0.04184 0.00233 -0.02674 0.08330 0.09380 87 4ZZ 0.04566 -0.02307 0.00242 -0.00310 -0.06592 88 4XY -0.00982 -0.02778 -0.01680 -0.05920 0.03021 89 4XZ 0.02714 0.01994 0.07267 0.00968 -0.02949 90 4YZ -0.01716 0.00140 -0.01103 -0.04280 -0.04316 91 7 H 1S -0.27733 -0.18580 -0.14090 0.02200 0.14022 92 2S -0.01078 0.70136 -0.15906 0.71351 0.12625 93 8 H 1S -0.03560 0.32970 -0.13428 -0.22536 -0.25405 94 2S 0.32565 -0.57741 0.29812 -0.22928 -0.46502 95 9 H 1S 0.03561 0.32970 0.13427 0.22536 -0.25405 96 2S -0.32566 -0.57740 -0.29811 0.22928 -0.46502 97 10 H 1S -0.02889 0.19356 -0.14247 0.13039 0.39313 98 2S -0.14790 -0.96787 0.38206 0.15628 -0.14108 99 11 H 1S 0.02889 0.19356 0.14246 -0.13039 0.39313 100 2S 0.14787 -0.96788 -0.38205 -0.15628 -0.14108 101 12 H 1S 0.27733 -0.18580 0.14090 -0.02201 0.14023 102 2S 0.01079 0.70136 0.15905 -0.71351 0.12625 103 13 C 1S -0.02677 -0.02132 0.01204 0.00231 0.00032 104 2S 0.57983 -0.17143 -0.32952 0.23142 0.47039 105 2PX 0.06463 -0.12021 0.18184 -0.07883 -0.05693 106 2PY 0.27479 -0.03059 0.00185 0.01391 0.05724 107 2PZ 0.22350 -0.13496 -0.13696 0.09020 0.24277 108 3S -1.42044 0.73725 0.29096 -0.85128 -1.37526 109 3PX -0.13390 0.30706 -0.09391 0.66665 0.11440 110 3PY -1.15237 0.16437 -0.81308 0.22241 -0.14867 111 3PZ 0.07736 0.05172 0.71939 -0.15315 -0.08687 112 4XX -0.00368 -0.03286 0.06414 0.02517 -0.07381 113 4YY 0.04817 0.00041 -0.01242 0.00869 0.07116 114 4ZZ 0.00404 -0.01709 -0.09212 -0.00715 0.07063 115 4XY -0.00638 0.05405 -0.03010 -0.02347 -0.03569 116 4XZ -0.06433 0.00476 -0.02235 -0.07107 -0.00548 117 4YZ -0.01593 -0.01516 0.00659 -0.00039 0.03398 118 14 H 1S -0.50832 -0.05346 0.05885 -0.23795 -0.19749 119 2S 1.05454 -0.35814 -0.10110 0.24317 0.44624 120 15 H 1S -0.22159 -0.23263 0.43746 0.12796 -0.24023 121 2S 0.50224 0.26418 -0.59435 0.23962 0.59874 122 16 C 1S 0.02677 -0.02132 -0.01204 -0.00231 0.00032 123 2S -0.57983 -0.17142 0.32952 -0.23143 0.47039 124 2PX -0.06463 -0.12021 -0.18184 0.07883 -0.05693 125 2PY 0.27479 0.03058 0.00185 0.01392 -0.05724 126 2PZ -0.22351 -0.13495 0.13696 -0.09020 0.24277 127 3S 1.42046 0.73722 -0.29097 0.85129 -1.37526 128 3PX 0.13390 0.30705 0.09391 -0.66666 0.11440 129 3PY -1.15237 -0.16435 -0.81308 0.22241 0.14866 130 3PZ -0.07736 0.05172 -0.71939 0.15316 -0.08687 131 4XX 0.00368 -0.03286 -0.06414 -0.02516 -0.07381 132 4YY -0.04817 0.00041 0.01242 -0.00869 0.07116 133 4ZZ -0.00404 -0.01709 0.09212 0.00715 0.07063 134 4XY -0.00638 -0.05405 -0.03010 -0.02347 0.03569 135 4XZ 0.06433 0.00476 0.02235 0.07107 -0.00547 136 4YZ -0.01593 0.01516 0.00659 -0.00039 -0.03398 137 17 H 1S 0.22159 -0.23264 -0.43746 -0.12795 -0.24023 138 2S -0.50224 0.26419 0.59434 -0.23964 0.59874 139 18 H 1S 0.50832 -0.05347 -0.05884 0.23795 -0.19749 140 2S -1.05455 -0.35812 0.10110 -0.24317 0.44624 141 19 O 1S -0.00954 -0.00331 -0.00861 0.00800 -0.00260 142 2S -0.01622 0.02250 0.14154 0.09459 0.01531 143 2PX -0.13676 -0.00535 0.10090 -0.01816 -0.06732 144 2PY 0.01928 0.14676 0.11239 -0.05907 -0.12833 145 2PZ -0.04499 0.05080 0.21543 -0.06373 -0.01944 146 3S 0.33827 -0.02733 -0.04997 -0.15626 0.13155 147 3PX 0.38648 -0.03419 0.11474 0.00531 0.10957 148 3PY -0.05706 -0.16087 -0.18457 0.08458 0.12258 149 3PZ -0.00658 -0.08084 -0.32912 0.00438 0.04927 150 4XX -0.01964 0.00599 0.07373 0.04057 0.00228 151 4YY -0.03570 0.02168 0.00349 0.06419 -0.00338 152 4ZZ 0.03842 0.00236 0.02751 -0.00579 0.00194 153 4XY 0.01737 0.00597 0.00551 -0.01222 0.04023 154 4XZ -0.00832 0.02935 -0.01716 -0.04139 -0.00380 155 4YZ -0.00036 0.02006 -0.00113 0.02117 -0.01879 156 20 O 1S 0.00954 -0.00331 0.00861 -0.00800 -0.00260 157 2S 0.01622 0.02250 -0.14154 -0.09459 0.01530 158 2PX 0.13676 -0.00535 -0.10089 0.01816 -0.06732 159 2PY 0.01928 -0.14676 0.11240 -0.05907 0.12833 160 2PZ 0.04499 0.05080 -0.21543 0.06373 -0.01944 161 3S -0.33827 -0.02732 0.04997 0.15626 0.13156 162 3PX -0.38648 -0.03418 -0.11474 -0.00531 0.10956 163 3PY -0.05705 0.16087 -0.18457 0.08458 -0.12259 164 3PZ 0.00658 -0.08084 0.32912 -0.00439 0.04927 165 4XX 0.01964 0.00599 -0.07373 -0.04057 0.00228 166 4YY 0.03570 0.02168 -0.00349 -0.06419 -0.00339 167 4ZZ -0.03842 0.00236 -0.02751 0.00579 0.00193 168 4XY 0.01737 -0.00597 0.00552 -0.01222 -0.04023 169 4XZ 0.00832 0.02935 0.01716 0.04139 -0.00380 170 4YZ -0.00036 -0.02006 -0.00113 0.02117 0.01879 171 21 C 1S 0.00000 0.00221 0.00000 0.00000 0.03071 172 2S 0.00000 -0.06418 0.00000 0.00000 0.54796 173 2PX 0.00000 -0.13764 0.00000 0.00000 -0.00741 174 2PY -0.01818 0.00000 -0.11485 0.01185 0.00000 175 2PZ 0.00000 0.00195 0.00000 0.00000 -0.00333 176 3S 0.00000 -0.06927 0.00001 0.00000 -1.12061 177 3PX 0.00000 -0.08485 0.00000 0.00000 -0.03008 178 3PY 0.12162 0.00000 0.44942 0.05069 0.00000 179 3PZ 0.00000 0.31928 0.00000 0.00000 -0.07542 180 4XX 0.00000 -0.01126 0.00000 0.00000 -0.00421 181 4YY 0.00000 -0.05705 0.00000 0.00000 0.05968 182 4ZZ 0.00000 0.04842 0.00000 0.00000 0.04958 183 4XY 0.04028 0.00000 -0.04886 -0.01242 0.00000 184 4XZ 0.00000 -0.02229 0.00000 0.00000 0.00585 185 4YZ 0.02862 0.00000 -0.01800 -0.01847 0.00000 186 22 H 1S 0.00000 0.09050 0.00000 0.00000 0.13747 187 2S 0.00000 -0.37425 0.00000 0.00001 0.11260 188 23 H 1S 0.00000 -0.15610 0.00000 0.00000 0.00085 189 2S 0.00000 0.13943 0.00000 0.00000 0.32785 106 107 108 109 110 V V V V V Eigenvalues -- 1.02297 1.02719 1.09205 1.09918 1.11414 1 1 C 1S -0.01055 -0.00077 0.00463 0.00906 0.01456 2 2S 0.10624 0.04346 -0.08608 -0.21048 0.32943 3 2PX 0.18605 0.06335 -0.06183 -0.13897 0.16832 4 2PY -0.18765 0.06818 -0.01294 0.00778 -0.05680 5 2PZ -0.04734 -0.09595 -0.13362 0.01331 0.05962 6 3S -1.28390 -0.24250 0.37559 0.44937 -0.04678 7 3PX -0.36666 -0.03952 -0.16433 -0.21902 -0.43547 8 3PY 1.23303 -0.18388 -0.21542 -0.03775 0.33730 9 3PZ -0.10709 0.17230 1.09966 0.11896 -0.13326 10 4XX -0.01128 0.00978 -0.04110 0.05133 -0.02858 11 4YY -0.01928 -0.00785 0.00394 -0.05462 0.04732 12 4ZZ -0.02235 0.00406 0.05028 0.04404 0.02859 13 4XY -0.00690 -0.01563 0.01315 0.01728 -0.01444 14 4XZ 0.07233 -0.01520 -0.01460 0.01271 -0.00874 15 4YZ 0.00020 -0.04910 -0.00217 0.05357 0.08902 16 2 C 1S 0.01055 -0.00077 -0.00463 0.00906 0.01456 17 2S -0.10625 0.04348 0.08608 -0.21048 0.32943 18 2PX -0.18605 0.06336 0.06183 -0.13898 0.16832 19 2PY -0.18765 -0.06818 -0.01294 -0.00777 0.05680 20 2PZ 0.04734 -0.09595 0.13362 0.01330 0.05961 21 3S 1.28391 -0.24254 -0.37558 0.44936 -0.04676 22 3PX 0.36666 -0.03953 0.16432 -0.21902 -0.43548 23 3PY 1.23303 0.18387 -0.21542 0.03775 -0.33729 24 3PZ 0.10709 0.17230 -1.09966 0.11898 -0.13325 25 4XX 0.01128 0.00978 0.04111 0.05133 -0.02858 26 4YY 0.01928 -0.00785 -0.00394 -0.05462 0.04732 27 4ZZ 0.02235 0.00406 -0.05028 0.04404 0.02859 28 4XY -0.00690 0.01563 0.01314 -0.01728 0.01444 29 4XZ -0.07233 -0.01520 0.01460 0.01271 -0.00874 30 4YZ 0.00020 0.04910 -0.00217 -0.05357 -0.08902 31 3 C 1S 0.01108 0.00050 -0.01213 -0.02077 -0.01136 32 2S 0.20580 0.22081 0.11750 -0.82697 0.05796 33 2PX 0.13598 0.11905 -0.05085 -0.03402 0.00565 34 2PY -0.06599 0.10437 -0.05038 0.03914 -0.11178 35 2PZ 0.01931 -0.06895 -0.05415 0.10211 -0.05833 36 3S -0.97167 -1.02812 -0.34478 2.75214 -0.53476 37 3PX -0.49673 -0.72618 -0.16010 0.40547 -0.17717 38 3PY 0.01537 -0.02863 0.36820 0.61482 0.13451 39 3PZ 0.26038 0.58279 0.38239 -0.35715 0.16099 40 4XX -0.00485 -0.01536 -0.03846 0.02452 -0.01703 41 4YY 0.01069 0.04091 0.02367 -0.02318 0.02739 42 4ZZ 0.02254 -0.01532 0.00589 -0.09211 -0.01666 43 4XY -0.00820 0.00162 -0.00930 -0.02553 0.03096 44 4XZ 0.01038 0.01617 0.02325 -0.01903 0.03532 45 4YZ 0.00528 0.00423 -0.00483 -0.02555 0.05509 46 4 C 1S -0.00453 -0.01302 -0.00843 0.01557 -0.01728 47 2S -0.29758 -0.43527 -0.29744 0.56379 -0.48819 48 2PX -0.02353 -0.00620 0.01862 -0.08128 0.10467 49 2PY -0.00014 0.15778 -0.03454 0.01715 -0.00861 50 2PZ -0.01074 0.05173 -0.01709 0.12161 0.00910 51 3S 1.19600 1.77441 0.82256 -1.78028 0.98493 52 3PX -0.09725 -0.20011 -0.10629 0.69609 -0.27368 53 3PY -0.21651 -0.73549 -0.17725 0.14376 -0.16474 54 3PZ 0.23045 0.11073 0.03085 -0.70183 0.05003 55 4XX 0.00146 0.00943 0.00586 -0.00603 -0.04632 56 4YY -0.00557 -0.04075 -0.00468 0.09241 -0.05729 57 4ZZ -0.02817 -0.03211 -0.03386 -0.01824 0.05689 58 4XY 0.00585 0.01956 0.00344 -0.08272 0.01823 59 4XZ 0.00394 0.00926 0.01783 -0.01965 0.02810 60 4YZ -0.01053 -0.04149 -0.00542 -0.01694 0.01913 61 5 C 1S 0.00453 -0.01302 0.00843 0.01557 -0.01728 62 2S 0.29758 -0.43527 0.29745 0.56379 -0.48819 63 2PX 0.02353 -0.00620 -0.01863 -0.08128 0.10468 64 2PY -0.00013 -0.15778 -0.03454 -0.01715 0.00861 65 2PZ 0.01074 0.05173 0.01710 0.12161 0.00910 66 3S -1.19601 1.77443 -0.82260 -1.78027 0.98492 67 3PX 0.09724 -0.20009 0.10631 0.69608 -0.27368 68 3PY -0.21652 0.73546 -0.17725 -0.14376 0.16476 69 3PZ -0.23045 0.11072 -0.03086 -0.70182 0.05003 70 4XX -0.00146 0.00943 -0.00586 -0.00603 -0.04632 71 4YY 0.00557 -0.04074 0.00468 0.09241 -0.05729 72 4ZZ 0.02817 -0.03211 0.03386 -0.01824 0.05689 73 4XY 0.00585 -0.01956 0.00345 0.08272 -0.01823 74 4XZ -0.00394 0.00926 -0.01784 -0.01965 0.02810 75 4YZ -0.01053 0.04149 -0.00541 0.01694 -0.01913 76 6 C 1S -0.01108 0.00050 0.01213 -0.02077 -0.01136 77 2S -0.20580 0.22081 -0.11752 -0.82697 0.05796 78 2PX -0.13598 0.11905 0.05085 -0.03402 0.00565 79 2PY -0.06599 -0.10437 -0.05038 -0.03913 0.11178 80 2PZ -0.01931 -0.06895 0.05415 0.10211 -0.05833 81 3S 0.97166 -1.02810 0.34485 2.75213 -0.53476 82 3PX 0.49674 -0.72617 0.16011 0.40546 -0.17718 83 3PY 0.01538 0.02864 0.36819 -0.61483 -0.13452 84 3PZ -0.26039 0.58279 -0.38240 -0.35715 0.16100 85 4XX 0.00485 -0.01536 0.03846 0.02452 -0.01703 86 4YY -0.01069 0.04090 -0.02367 -0.02318 0.02739 87 4ZZ -0.02254 -0.01532 -0.00590 -0.09211 -0.01666 88 4XY -0.00820 -0.00162 -0.00930 0.02553 -0.03096 89 4XZ -0.01038 0.01617 -0.02325 -0.01903 0.03532 90 4YZ 0.00528 -0.00423 -0.00483 0.02555 -0.05509 91 7 H 1S -0.07748 -0.00173 0.24493 0.08680 -0.02625 92 2S -0.14383 0.16843 0.29754 -0.04629 -0.02371 93 8 H 1S -0.03480 -0.04267 -0.08705 -0.10258 -0.02492 94 2S -0.14777 -0.34911 -0.09963 -0.10687 -0.16476 95 9 H 1S 0.03481 -0.04268 0.08705 -0.10258 -0.02493 96 2S 0.14777 -0.34911 0.09963 -0.10687 -0.16476 97 10 H 1S -0.03655 0.12664 -0.05117 0.10754 -0.09538 98 2S -0.20905 0.00636 -0.25276 -0.29631 0.19307 99 11 H 1S 0.03655 0.12664 0.05118 0.10754 -0.09538 100 2S 0.20906 0.00636 0.25276 -0.29632 0.19307 101 12 H 1S 0.07748 -0.00173 -0.24493 0.08680 -0.02625 102 2S 0.14383 0.16844 -0.29754 -0.04629 -0.02371 103 13 C 1S -0.00743 0.00467 -0.01166 0.00038 -0.01168 104 2S -0.10464 -0.35697 0.24836 -0.10995 -0.32070 105 2PX -0.06242 0.01822 -0.07787 -0.16461 0.13909 106 2PY -0.06484 -0.23754 0.11577 -0.08603 -0.02965 107 2PZ -0.05820 -0.26379 0.10679 -0.06429 -0.03477 108 3S 0.35362 0.97804 -0.33888 0.07216 0.77575 109 3PX -0.04607 -0.02562 0.45687 0.24290 -0.42680 110 3PY 0.19388 0.39339 -0.34362 0.18752 0.19120 111 3PZ 0.15282 0.59423 -0.32383 0.51722 0.12717 112 4XX -0.01653 0.01540 -0.02903 -0.01052 -0.01838 113 4YY -0.00416 -0.03569 0.02048 -0.00072 -0.04196 114 4ZZ -0.00475 -0.02519 0.03156 -0.00567 0.00579 115 4XY 0.01185 -0.11388 0.01237 -0.09018 -0.02997 116 4XZ 0.01822 -0.01729 0.02207 0.02378 -0.05804 117 4YZ 0.00532 0.01920 -0.02012 0.04169 0.05635 118 14 H 1S 0.06498 0.07379 -0.17678 -0.05071 -0.00833 119 2S -0.28527 -0.47099 0.23053 -0.38004 -0.01346 120 15 H 1S -0.07049 0.43342 -0.29351 0.14139 0.09184 121 2S -0.09349 -1.12928 0.88206 -0.22905 -0.75340 122 16 C 1S 0.00743 0.00467 0.01166 0.00038 -0.01168 123 2S 0.10463 -0.35697 -0.24836 -0.10994 -0.32071 124 2PX 0.06242 0.01822 0.07787 -0.16461 0.13909 125 2PY -0.06484 0.23754 0.11577 0.08603 0.02965 126 2PZ 0.05819 -0.26379 -0.10679 -0.06428 -0.03477 127 3S -0.35359 0.97803 0.33888 0.07214 0.77577 128 3PX 0.04607 -0.02561 -0.45687 0.24291 -0.42680 129 3PY 0.19388 -0.39339 -0.34362 -0.18751 -0.19120 130 3PZ -0.15282 0.59423 0.32385 0.51721 0.12718 131 4XX 0.01653 0.01540 0.02903 -0.01052 -0.01838 132 4YY 0.00416 -0.03569 -0.02048 -0.00072 -0.04196 133 4ZZ 0.00475 -0.02519 -0.03156 -0.00567 0.00579 134 4XY 0.01185 0.11388 0.01237 0.09018 0.02997 135 4XZ -0.01822 -0.01729 -0.02207 0.02379 -0.05804 136 4YZ 0.00532 -0.01920 -0.02012 -0.04168 -0.05635 137 17 H 1S 0.07049 0.43343 0.29351 0.14138 0.09184 138 2S 0.09347 -1.12928 -0.88206 -0.22903 -0.75340 139 18 H 1S -0.06497 0.07378 0.17678 -0.05071 -0.00833 140 2S 0.28526 -0.47099 -0.23054 -0.38003 -0.01347 141 19 O 1S 0.00630 -0.00081 -0.00160 0.00676 0.01302 142 2S 0.45994 -0.12917 0.00511 0.07714 0.21748 143 2PX -0.26726 0.05548 0.34301 0.03150 -0.07804 144 2PY 0.37366 -0.06624 0.25200 -0.11432 0.13251 145 2PZ -0.03933 0.06603 0.26386 -0.31520 -0.41550 146 3S -1.13271 0.11628 -0.18406 -0.24661 -0.75786 147 3PX 0.45535 -0.15950 -0.71501 -0.24768 0.11884 148 3PY -0.65950 0.20992 -0.38794 0.20246 -0.16371 149 3PZ 0.00472 -0.18300 -0.30470 0.62039 0.72946 150 4XX 0.12946 -0.07374 0.09949 0.01287 0.14782 151 4YY 0.09191 -0.03560 -0.04618 0.03105 -0.03220 152 4ZZ 0.21129 -0.01680 -0.04754 0.00741 0.08807 153 4XY 0.01516 -0.05144 0.01391 0.00649 0.04815 154 4XZ -0.00425 0.00416 0.06625 -0.02076 -0.00927 155 4YZ -0.01381 -0.04611 -0.00118 0.01465 0.02439 156 20 O 1S -0.00630 -0.00081 0.00160 0.00676 0.01302 157 2S -0.45994 -0.12917 -0.00511 0.07714 0.21748 158 2PX 0.26726 0.05548 -0.34301 0.03150 -0.07804 159 2PY 0.37366 0.06624 0.25200 0.11432 -0.13251 160 2PZ 0.03933 0.06603 -0.26387 -0.31519 -0.41550 161 3S 1.13271 0.11628 0.18405 -0.24661 -0.75786 162 3PX -0.45535 -0.15950 0.71501 -0.24770 0.11884 163 3PY -0.65950 -0.20992 -0.38794 -0.20245 0.16371 164 3PZ -0.00472 -0.18300 0.30471 0.62038 0.72947 165 4XX -0.12946 -0.07374 -0.09949 0.01287 0.14782 166 4YY -0.09191 -0.03560 0.04618 0.03105 -0.03220 167 4ZZ -0.21129 -0.01680 0.04754 0.00741 0.08807 168 4XY 0.01516 0.05144 0.01391 -0.00649 -0.04815 169 4XZ 0.00425 0.00416 -0.06625 -0.02076 -0.00927 170 4YZ -0.01381 0.04611 -0.00118 -0.01465 -0.02439 171 21 C 1S 0.00000 -0.00105 0.00000 0.02834 -0.03482 172 2S 0.00000 0.28305 0.00001 0.55267 -0.49456 173 2PX 0.00000 -0.33931 0.00000 -0.10046 0.03355 174 2PY -0.25317 0.00000 -0.00513 0.00000 0.00000 175 2PZ 0.00000 0.09395 0.00000 -0.02686 0.02141 176 3S 0.00000 -0.94493 -0.00002 -1.64853 0.76971 177 3PX 0.00000 1.00407 0.00000 0.29722 -0.20859 178 3PY 0.75487 0.00000 -0.36822 0.00000 0.00000 179 3PZ 0.00000 -0.17184 0.00000 -0.32310 -0.47083 180 4XX 0.00000 0.12178 0.00000 0.01926 -0.10785 181 4YY 0.00000 0.04702 0.00000 0.02847 0.00343 182 4ZZ 0.00000 -0.11867 0.00000 0.01475 -0.03329 183 4XY -0.00348 0.00000 -0.14957 0.00000 0.00000 184 4XZ 0.00000 -0.04053 0.00000 0.05227 0.15562 185 4YZ 0.10162 0.00000 -0.05856 0.00000 0.00000 186 22 H 1S 0.00000 -0.47989 0.00000 0.10623 -0.03801 187 2S 0.00000 1.02059 0.00000 0.55778 0.19718 188 23 H 1S 0.00000 0.03418 0.00000 0.10069 -0.05042 189 2S 0.00000 0.62621 0.00001 0.47061 -0.32777 111 112 113 114 115 V V V V V Eigenvalues -- 1.14919 1.15181 1.18938 1.20406 1.25130 1 1 C 1S -0.00047 -0.02009 -0.00437 0.00221 -0.00740 2 2S -0.58334 -0.13768 0.00696 0.10253 -0.25527 3 2PX -0.10249 0.04491 -0.03916 0.09911 -0.16317 4 2PY 0.10004 0.07459 0.06237 0.13992 0.04368 5 2PZ -0.10569 -0.14694 0.11896 0.07889 0.13904 6 3S 2.40242 -0.24798 0.10742 0.94453 0.57656 7 3PX -0.78405 0.10096 -0.27634 -0.81511 1.00096 8 3PY -1.00250 -0.32009 -0.36055 -0.65047 -0.10640 9 3PZ 0.95196 0.09012 0.12054 0.13829 -1.11292 10 4XX 0.01183 -0.09083 -0.08402 0.02726 0.08948 11 4YY 0.00069 -0.00652 -0.02581 0.00738 -0.00790 12 4ZZ 0.01233 0.04741 0.10278 0.02352 -0.11847 13 4XY 0.00289 0.10439 -0.12499 0.01384 0.00736 14 4XZ 0.01110 -0.03154 0.02073 -0.05657 0.02439 15 4YZ -0.00622 0.00929 -0.02991 0.01880 0.03740 16 2 C 1S 0.00048 -0.02009 -0.00437 -0.00221 0.00740 17 2S 0.58335 -0.13766 0.00697 -0.10253 0.25528 18 2PX 0.10249 0.04492 -0.03916 -0.09911 0.16317 19 2PY 0.10005 -0.07459 -0.06238 0.13992 0.04368 20 2PZ 0.10569 -0.14693 0.11896 -0.07889 -0.13904 21 3S -2.40241 -0.24806 0.10742 -0.94453 -0.57657 22 3PX 0.78405 0.10099 -0.27635 0.81511 -1.00096 23 3PY -1.00252 0.32005 0.36055 -0.65047 -0.10640 24 3PZ -0.95197 0.09009 0.12054 -0.13829 1.11293 25 4XX -0.01183 -0.09083 -0.08402 -0.02726 -0.08948 26 4YY -0.00069 -0.00652 -0.02581 -0.00738 0.00790 27 4ZZ -0.01233 0.04741 0.10278 -0.02352 0.11847 28 4XY 0.00289 -0.10439 0.12499 0.01384 0.00736 29 4XZ -0.01110 -0.03154 0.02073 0.05657 -0.02439 30 4YZ -0.00623 -0.00929 0.02991 0.01880 0.03740 31 3 C 1S -0.00787 0.00318 0.00507 0.02078 0.00099 32 2S 0.40032 0.27286 0.07646 0.20108 0.26944 33 2PX 0.03888 -0.16544 0.02941 -0.02839 0.02090 34 2PY 0.29258 -0.05606 0.10084 -0.33615 0.05187 35 2PZ -0.14143 0.01250 0.08608 -0.02006 -0.06978 36 3S 0.28168 -0.38250 -0.77887 -1.58193 -0.88704 37 3PX 0.01211 0.43432 0.16976 0.24595 -0.56052 38 3PY -0.60651 0.03625 -0.87174 1.77707 -0.14249 39 3PZ 0.63141 -0.26784 -0.95508 0.38287 0.33145 40 4XX -0.02637 -0.03278 -0.05379 -0.00356 -0.04304 41 4YY 0.02251 0.01587 -0.01822 0.13684 -0.00400 42 4ZZ 0.02467 0.04208 0.06160 -0.08047 0.04666 43 4XY -0.04114 -0.01487 0.01871 -0.05776 0.05132 44 4XZ -0.10568 -0.00348 -0.00812 0.01915 0.02176 45 4YZ -0.03877 0.01703 -0.00910 0.02213 0.07805 46 4 C 1S 0.00257 0.00063 -0.00168 -0.00952 -0.04030 47 2S 0.01203 0.04054 -0.18496 -0.35398 -0.90557 48 2PX -0.00653 0.01638 -0.00057 0.08115 0.03387 49 2PY 0.05885 -0.07543 -0.04395 -0.07631 -0.00012 50 2PZ 0.05678 -0.02482 0.05181 -0.11859 0.15858 51 3S 0.39174 -0.43583 0.02628 -0.07358 3.44734 52 3PX 0.62412 -0.04869 -0.10616 -0.45834 0.04340 53 3PY -0.22627 0.32296 0.42565 -0.85425 0.19815 54 3PZ -1.03971 0.08479 0.14547 0.27906 -0.77039 55 4XX 0.05804 0.02316 -0.00629 -0.02534 -0.04053 56 4YY -0.00413 -0.00960 -0.02824 -0.01241 -0.01612 57 4ZZ -0.06676 -0.00576 0.02310 -0.00044 -0.03164 58 4XY 0.03512 0.01184 0.11161 -0.02841 0.06145 59 4XZ -0.01238 0.00407 -0.00682 0.05170 0.07661 60 4YZ -0.05349 0.04273 0.12668 -0.00006 -0.01152 61 5 C 1S -0.00257 0.00063 -0.00168 0.00952 0.04030 62 2S -0.01203 0.04053 -0.18496 0.35398 0.90557 63 2PX 0.00653 0.01638 -0.00056 -0.08115 -0.03387 64 2PY 0.05885 0.07544 0.04395 -0.07631 -0.00012 65 2PZ -0.05678 -0.02482 0.05181 0.11859 -0.15858 66 3S -0.39172 -0.43584 0.02626 0.07359 -3.44733 67 3PX -0.62412 -0.04872 -0.10617 0.45833 -0.04341 68 3PY -0.22626 -0.32296 -0.42564 -0.85426 0.19815 69 3PZ 1.03971 0.08483 0.14547 -0.27905 0.77039 70 4XX -0.05804 0.02316 -0.00629 0.02534 0.04053 71 4YY 0.00413 -0.00960 -0.02824 0.01241 0.01612 72 4ZZ 0.06676 -0.00576 0.02310 0.00044 0.03164 73 4XY 0.03512 -0.01184 -0.11160 -0.02841 0.06145 74 4XZ 0.01238 0.00407 -0.00682 -0.05170 -0.07661 75 4YZ -0.05349 -0.04273 -0.12668 -0.00007 -0.01152 76 6 C 1S 0.00787 0.00319 0.00507 -0.02078 -0.00099 77 2S -0.40032 0.27284 0.07646 -0.20108 -0.26944 78 2PX -0.03887 -0.16544 0.02941 0.02839 -0.02090 79 2PY 0.29257 0.05607 -0.10083 -0.33615 0.05187 80 2PZ 0.14143 0.01251 0.08608 0.02006 0.06978 81 3S -0.28168 -0.38251 -0.77888 1.58191 0.88704 82 3PX -0.01212 0.43432 0.16977 -0.24594 0.56052 83 3PY -0.60651 -0.03628 0.87171 1.77709 -0.14249 84 3PZ -0.63139 -0.26786 -0.95508 -0.38289 -0.33145 85 4XX 0.02637 -0.03278 -0.05379 0.00356 0.04304 86 4YY -0.02251 0.01587 -0.01822 -0.13684 0.00400 87 4ZZ -0.02467 0.04208 0.06160 0.08047 -0.04666 88 4XY -0.04114 0.01487 -0.01871 -0.05776 0.05132 89 4XZ 0.10568 -0.00348 -0.00811 -0.01915 -0.02176 90 4YZ -0.03877 -0.01703 0.00910 0.02213 0.07805 91 7 H 1S 0.19156 -0.04875 0.24743 0.01458 -0.33507 92 2S 0.20006 0.18476 -0.10086 0.16685 -0.34016 93 8 H 1S -0.39935 0.07321 0.14156 -0.05171 -0.37773 94 2S -0.39257 0.13779 -0.02457 0.02721 -0.65747 95 9 H 1S 0.39934 0.07322 0.14156 0.05172 0.37773 96 2S 0.39256 0.13781 -0.02457 -0.02721 0.65747 97 10 H 1S 0.09798 -0.04730 -0.13579 -0.54274 -0.05592 98 2S 0.29727 0.20106 -0.30667 -0.82813 -0.06669 99 11 H 1S -0.09798 -0.04730 -0.13580 0.54273 0.05592 100 2S -0.29728 0.20105 -0.30668 0.82813 0.06669 101 12 H 1S -0.19156 -0.04876 0.24743 -0.01458 0.33507 102 2S -0.20007 0.18476 -0.10086 -0.16685 0.34016 103 13 C 1S -0.02843 0.00258 -0.03867 -0.01354 0.01251 104 2S -0.38610 0.05413 -0.80682 -0.18723 0.28723 105 2PX -0.08582 -0.01448 0.11810 -0.00188 0.15116 106 2PY -0.01171 -0.04195 0.04722 -0.04688 0.01430 107 2PZ -0.12787 -0.10686 0.03615 -0.16530 0.03511 108 3S 1.27868 0.35486 2.26048 1.55217 -0.92058 109 3PX 0.42720 -0.06780 -0.04998 0.38251 -0.81716 110 3PY 0.53818 0.16616 0.29993 -1.06559 0.24221 111 3PZ 0.56723 0.04941 -0.52350 0.43478 -0.39189 112 4XX 0.01100 -0.00149 0.00531 0.00941 -0.00445 113 4YY -0.01726 -0.01421 -0.07307 0.01429 0.01316 114 4ZZ -0.05090 0.02488 -0.05728 -0.03754 0.02260 115 4XY -0.00170 0.00977 0.06083 0.00513 0.00755 116 4XZ -0.06510 -0.04529 0.00095 -0.04321 0.09963 117 4YZ 0.03496 -0.00103 -0.08695 -0.06300 -0.00478 118 14 H 1S -0.25529 0.04416 -0.13645 -0.08299 0.18555 119 2S -0.49806 -0.06705 -0.13537 -0.20967 0.35738 120 15 H 1S 0.00104 0.08622 -0.10658 0.14359 -0.08686 121 2S -0.46149 -0.24098 -0.36890 -0.08250 0.02828 122 16 C 1S 0.02843 0.00258 -0.03867 0.01354 -0.01251 123 2S 0.38609 0.05414 -0.80682 0.18722 -0.28722 124 2PX 0.08582 -0.01448 0.11810 0.00189 -0.15116 125 2PY -0.01171 0.04195 -0.04722 -0.04688 0.01430 126 2PZ 0.12788 -0.10686 0.03614 0.16530 -0.03511 127 3S -1.27869 0.35482 2.26050 -1.55214 0.92057 128 3PX -0.42720 -0.06782 -0.04998 -0.38251 0.81716 129 3PY 0.53819 -0.16613 -0.29992 -1.06560 0.24221 130 3PZ -0.56724 0.04939 -0.52349 -0.43479 0.39189 131 4XX -0.01100 -0.00149 0.00531 -0.00941 0.00445 132 4YY 0.01726 -0.01421 -0.07307 -0.01429 -0.01316 133 4ZZ 0.05090 0.02488 -0.05728 0.03754 -0.02260 134 4XY -0.00170 -0.00977 -0.06083 0.00513 0.00755 135 4XZ 0.06510 -0.04529 0.00095 0.04321 -0.09963 136 4YZ 0.03496 0.00103 0.08695 -0.06300 -0.00478 137 17 H 1S -0.00104 0.08622 -0.10657 -0.14359 0.08686 138 2S 0.46150 -0.24097 -0.36890 0.08250 -0.02828 139 18 H 1S 0.25529 0.04417 -0.13645 0.08299 -0.18555 140 2S 0.49806 -0.06703 -0.13537 0.20967 -0.35738 141 19 O 1S 0.00269 -0.01387 0.01444 0.00266 -0.00397 142 2S -0.06939 -0.27694 0.18833 0.02845 -0.01552 143 2PX 0.01758 -0.42862 0.05380 0.14127 0.02070 144 2PY 0.03313 -0.16123 -0.23454 -0.02796 -0.10512 145 2PZ -0.25396 -0.11342 0.00038 -0.24959 0.09654 146 3S -0.37860 0.66740 -0.37357 -0.15467 0.48086 147 3PX -0.38145 0.80353 -0.10747 -0.46133 0.17366 148 3PY 0.01402 0.27367 0.47980 0.08490 0.17037 149 3PZ 0.59738 0.13674 0.11901 0.65346 -0.22168 150 4XX -0.03590 -0.09324 0.09066 -0.00380 -0.08656 151 4YY -0.04321 0.04858 0.04912 0.00812 0.01463 152 4ZZ 0.01526 -0.19995 0.00773 0.00427 0.05321 153 4XY 0.00151 0.01899 0.01806 -0.03717 -0.00456 154 4XZ 0.05755 0.05023 -0.05267 -0.02291 -0.06197 155 4YZ 0.00740 0.05364 -0.06413 0.03454 0.00271 156 20 O 1S -0.00269 -0.01387 0.01444 -0.00266 0.00397 157 2S 0.06941 -0.27693 0.18833 -0.02845 0.01552 158 2PX -0.01756 -0.42862 0.05380 -0.14127 -0.02070 159 2PY 0.03312 0.16123 0.23454 -0.02796 -0.10512 160 2PZ 0.25396 -0.11342 0.00038 0.24958 -0.09654 161 3S 0.37858 0.66741 -0.37357 0.15467 -0.48086 162 3PX 0.38143 0.80354 -0.10747 0.46134 -0.17366 163 3PY 0.01403 -0.27367 -0.47981 0.08489 0.17037 164 3PZ -0.59738 0.13673 0.11902 -0.65346 0.22168 165 4XX 0.03590 -0.09324 0.09066 0.00380 0.08656 166 4YY 0.04320 0.04858 0.04912 -0.00812 -0.01463 167 4ZZ -0.01526 -0.19995 0.00773 -0.00427 -0.05321 168 4XY 0.00151 -0.01899 -0.01806 -0.03717 -0.00456 169 4XZ -0.05756 0.05023 -0.05267 0.02291 0.06197 170 4YZ 0.00740 -0.05364 0.06413 0.03454 0.00271 171 21 C 1S 0.00000 0.02226 0.04282 0.00000 0.00000 172 2S -0.00001 0.30695 0.74512 0.00000 0.00000 173 2PX 0.00000 -0.06256 0.28987 0.00000 0.00000 174 2PY -0.03737 0.00000 0.00000 0.00613 0.05638 175 2PZ 0.00000 0.17962 -0.02063 0.00000 0.00000 176 3S 0.00002 -0.52644 -1.16902 0.00000 -0.00001 177 3PX 0.00001 -0.47142 -0.39000 0.00000 0.00000 178 3PY -0.44459 -0.00001 0.00000 -0.60836 0.11047 179 3PZ 0.00001 -0.72200 -0.40987 0.00000 0.00000 180 4XX 0.00000 0.00525 -0.00709 0.00000 0.00000 181 4YY 0.00000 -0.04345 0.11032 0.00000 0.00000 182 4ZZ 0.00000 0.15072 0.01011 0.00000 0.00000 183 4XY -0.00380 0.00000 0.00000 -0.01964 0.07459 184 4XZ 0.00000 -0.20513 -0.00393 0.00000 0.00000 185 4YZ 0.07036 0.00000 0.00000 0.06266 0.01610 186 22 H 1S 0.00000 0.03261 0.16180 0.00000 0.00000 187 2S -0.00001 0.59774 0.58142 0.00000 0.00000 188 23 H 1S 0.00000 -0.23458 0.17322 0.00000 0.00000 189 2S 0.00000 0.03986 -0.11237 0.00000 0.00000 116 117 118 119 120 V V V V V Eigenvalues -- 1.26444 1.36727 1.37043 1.39834 1.42715 1 1 C 1S -0.01132 0.01608 0.02506 -0.02890 0.00966 2 2S -0.31844 0.38203 0.34959 -0.50966 0.36820 3 2PX -0.13211 0.07671 0.03620 -0.15008 0.07936 4 2PY -0.11101 -0.03979 -0.00262 0.04250 0.06977 5 2PZ 0.01304 0.17795 0.08779 -0.10666 -0.00326 6 3S 0.36098 -0.57829 -1.52862 1.15153 -1.28222 7 3PX 0.44561 0.20676 -0.41957 -0.05035 0.35584 8 3PY 0.23810 0.11228 1.91697 0.10761 -0.34124 9 3PZ -0.24846 -0.51301 -0.14043 0.49916 0.18121 10 4XX -0.14378 -0.02769 0.15327 -0.13940 -0.01154 11 4YY 0.02601 0.05749 -0.01373 -0.09254 0.00074 12 4ZZ 0.02877 -0.01615 -0.08839 0.22976 -0.00602 13 4XY -0.12682 0.24439 -0.03355 -0.07507 0.01111 14 4XZ 0.04358 -0.17102 -0.07166 0.01106 -0.02502 15 4YZ 0.00766 0.10530 0.00040 0.09729 -0.09728 16 2 C 1S -0.01132 0.01608 -0.02506 -0.02890 -0.00966 17 2S -0.31844 0.38203 -0.34959 -0.50965 -0.36820 18 2PX -0.13211 0.07671 -0.03620 -0.15008 -0.07936 19 2PY 0.11101 0.03979 -0.00262 -0.04250 0.06977 20 2PZ 0.01304 0.17795 -0.08779 -0.10666 0.00326 21 3S 0.36098 -0.57828 1.52863 1.15151 1.28225 22 3PX 0.44560 0.20676 0.41957 -0.05034 -0.35584 23 3PY -0.23810 -0.11227 1.91697 -0.10760 -0.34125 24 3PZ -0.24844 -0.51301 0.14044 0.49915 -0.18120 25 4XX -0.14378 -0.02769 -0.15327 -0.13940 0.01153 26 4YY 0.02601 0.05749 0.01373 -0.09254 -0.00074 27 4ZZ 0.02877 -0.01615 0.08839 0.22976 0.00603 28 4XY 0.12682 -0.24439 -0.03355 0.07507 0.01110 29 4XZ 0.04358 -0.17102 0.07166 0.01106 0.02502 30 4YZ -0.00766 -0.10530 0.00040 -0.09729 -0.09729 31 3 C 1S 0.02392 -0.00358 0.00677 0.03050 -0.00200 32 2S 0.22086 -0.04071 0.01112 0.38698 -0.13180 33 2PX -0.09520 -0.00158 0.04843 -0.08857 0.04699 34 2PY -0.00770 -0.08476 0.06386 0.07731 -0.07162 35 2PZ 0.04002 0.00426 0.04334 0.00874 -0.01715 36 3S -0.72327 -0.19873 0.47718 -1.03736 1.49114 37 3PX 0.49265 0.09139 -0.14313 0.30270 0.17403 38 3PY 0.42575 0.06656 -0.29287 -0.47518 1.33492 39 3PZ -0.58889 -0.42154 -0.46460 -0.24970 0.28062 40 4XX -0.00538 0.08807 -0.09575 0.19318 -0.03482 41 4YY 0.06298 0.05494 -0.02961 -0.05787 0.06531 42 4ZZ -0.04321 -0.15725 0.12098 -0.07224 0.00181 43 4XY -0.00118 0.05290 0.03343 0.04500 -0.05949 44 4XZ -0.07343 -0.05173 0.01905 0.00089 0.01868 45 4YZ 0.00020 0.09281 -0.07969 0.16039 -0.08212 46 4 C 1S 0.01228 0.00327 0.02932 -0.00468 0.01976 47 2S 0.34842 0.08641 0.56140 -0.12308 0.40282 48 2PX -0.10634 -0.06344 -0.03729 -0.02796 -0.00538 49 2PY 0.08202 0.00681 -0.01960 -0.06945 -0.02607 50 2PZ 0.10519 0.03881 0.07477 -0.05087 0.09535 51 3S -0.62745 -0.21222 -1.90569 0.03593 -2.72100 52 3PX 0.43446 0.22848 0.59553 -0.29040 0.90080 53 3PY -0.20079 -0.02361 -0.40928 0.41309 -1.27681 54 3PZ -0.40471 -0.17254 -0.25589 0.39835 -1.30227 55 4XX -0.00589 -0.15188 0.12131 -0.19819 0.08193 56 4YY 0.06995 0.04889 0.00226 -0.04169 -0.00145 57 4ZZ -0.05182 0.09883 -0.07744 0.22885 -0.07073 58 4XY 0.00334 -0.04171 0.00471 -0.02396 -0.01594 59 4XZ -0.04867 -0.05833 -0.05476 0.06705 0.00709 60 4YZ -0.01372 -0.05325 0.02859 -0.11103 -0.01248 61 5 C 1S 0.01228 0.00327 -0.02932 -0.00468 -0.01976 62 2S 0.34843 0.08642 -0.56140 -0.12306 -0.40282 63 2PX -0.10634 -0.06344 0.03729 -0.02796 0.00538 64 2PY -0.08202 -0.00681 -0.01960 0.06945 -0.02607 65 2PZ 0.10519 0.03881 -0.07477 -0.05086 -0.09535 66 3S -0.62747 -0.21227 1.90568 0.03577 2.72101 67 3PX 0.43446 0.22850 -0.59553 -0.29035 -0.90080 68 3PY 0.20079 0.02363 -0.40928 -0.41301 -1.27680 69 3PZ -0.40470 -0.17256 0.25590 0.39827 1.30227 70 4XX -0.00589 -0.15188 -0.12131 -0.19818 -0.08192 71 4YY 0.06995 0.04889 -0.00226 -0.04169 0.00145 72 4ZZ -0.05182 0.09883 0.07744 0.22885 0.07072 73 4XY -0.00334 0.04171 0.00471 0.02396 -0.01594 74 4XZ -0.04867 -0.05833 0.05476 0.06705 -0.00709 75 4YZ 0.01372 0.05325 0.02859 0.11103 -0.01248 76 6 C 1S 0.02392 -0.00358 -0.00677 0.03050 0.00200 77 2S 0.22086 -0.04072 -0.01112 0.38697 0.13181 78 2PX -0.09520 -0.00158 -0.04843 -0.08857 -0.04699 79 2PY 0.00770 0.08476 0.06386 -0.07731 -0.07162 80 2PZ 0.04002 0.00426 -0.04334 0.00873 0.01715 81 3S -0.72327 -0.19869 -0.47718 -1.03727 -1.49117 82 3PX 0.49266 0.09139 0.14313 0.30270 -0.17403 83 3PY -0.42575 -0.06658 -0.29287 0.47511 1.33491 84 3PZ -0.58889 -0.42153 0.46460 -0.24968 -0.28061 85 4XX -0.00538 0.08807 0.09575 0.19318 0.03481 86 4YY 0.06298 0.05494 0.02961 -0.05787 -0.06530 87 4ZZ -0.04321 -0.15725 -0.12098 -0.07224 -0.00180 88 4XY 0.00118 -0.05290 0.03343 -0.04500 -0.05949 89 4XZ -0.07343 -0.05173 -0.01905 0.00089 -0.01868 90 4YZ -0.00020 -0.09281 -0.07969 -0.16039 -0.08212 91 7 H 1S -0.00527 -0.04456 -0.14544 -0.04197 0.15830 92 2S -0.37750 -0.19565 -0.29875 -0.02652 0.29764 93 8 H 1S -0.06916 -0.04120 0.01285 0.19108 -0.23637 94 2S -0.22103 -0.14746 -0.04584 0.24134 -0.43827 95 9 H 1S -0.06916 -0.04121 -0.01285 0.19106 0.23636 96 2S -0.22103 -0.14747 0.04584 0.24131 0.43827 97 10 H 1S 0.24025 -0.07992 0.12313 0.04827 -0.16495 98 2S 0.14685 0.05376 0.12084 -0.05561 -0.34040 99 11 H 1S 0.24026 -0.07992 -0.12313 0.04826 0.16495 100 2S 0.14686 0.05376 -0.12084 -0.05563 0.34041 101 12 H 1S -0.00527 -0.04456 0.14544 -0.04197 -0.15830 102 2S -0.37749 -0.19565 0.29875 -0.02652 -0.29764 103 13 C 1S -0.04203 -0.03924 0.02432 0.00602 -0.02058 104 2S -0.63856 -0.61935 0.27366 0.37935 -0.23044 105 2PX -0.18519 0.11439 0.14695 0.00624 0.08342 106 2PY -0.01357 0.10160 0.05219 -0.06502 -0.01099 107 2PZ 0.00064 0.20110 0.08273 -0.15537 -0.03384 108 3S 1.87531 1.34516 -1.31502 0.00583 1.59086 109 3PX 0.37814 -0.22851 -0.85136 0.05320 -0.28455 110 3PY 0.53877 0.18628 0.30536 0.18189 -0.32750 111 3PZ -0.11676 -0.40826 -0.29482 -0.02040 -0.36401 112 4XX -0.07913 -0.08728 -0.02637 -0.06994 -0.05217 113 4YY -0.04833 -0.05726 -0.01104 0.00787 0.00257 114 4ZZ 0.01808 0.07249 0.07484 0.09474 0.03760 115 4XY -0.09061 -0.07418 -0.04408 -0.07224 -0.02522 116 4XZ 0.00976 0.00436 0.08843 -0.00129 0.00859 117 4YZ -0.01384 0.13573 0.04111 0.00582 -0.02394 118 14 H 1S -0.17103 -0.21638 0.17234 0.02050 -0.00120 119 2S -0.47076 0.11153 0.39293 0.00460 0.05611 120 15 H 1S -0.15631 -0.17611 -0.07093 -0.03533 -0.13077 121 2S -0.12882 -0.30979 -0.06193 0.14671 -0.17727 122 16 C 1S -0.04203 -0.03924 -0.02432 0.00602 0.02058 123 2S -0.63856 -0.61936 -0.27366 0.37934 0.23044 124 2PX -0.18519 0.11439 -0.14695 0.00624 -0.08342 125 2PY 0.01357 -0.10160 0.05219 0.06502 -0.01099 126 2PZ 0.00064 0.20109 -0.08273 -0.15537 0.03383 127 3S 1.87531 1.34519 1.31502 0.00589 -1.59088 128 3PX 0.37815 -0.22851 0.85136 0.05318 0.28457 129 3PY -0.53878 -0.18628 0.30536 -0.18189 -0.32750 130 3PZ -0.11675 -0.40827 0.29482 -0.02043 0.36402 131 4XX -0.07913 -0.08728 0.02637 -0.06994 0.05217 132 4YY -0.04833 -0.05726 0.01104 0.00787 -0.00257 133 4ZZ 0.01808 0.07249 -0.07484 0.09474 -0.03760 134 4XY 0.09061 0.07418 -0.04408 0.07225 -0.02523 135 4XZ 0.00976 0.00436 -0.08843 -0.00129 -0.00860 136 4YZ 0.01384 -0.13573 0.04111 -0.00582 -0.02394 137 17 H 1S -0.15631 -0.17611 0.07093 -0.03533 0.13077 138 2S -0.12882 -0.30979 0.06193 0.14670 0.17729 139 18 H 1S -0.17103 -0.21638 -0.17234 0.02051 0.00120 140 2S -0.47076 0.11153 -0.39293 0.00460 -0.05611 141 19 O 1S 0.01455 -0.01718 -0.00040 0.01508 -0.01365 142 2S 0.05293 -0.18685 0.11854 0.14226 -0.27647 143 2PX -0.21549 0.03741 0.30952 0.07782 -0.05462 144 2PY 0.04577 -0.02609 0.10737 0.03037 0.02990 145 2PZ 0.11010 0.11043 -0.23794 -0.01676 0.19768 146 3S -0.51406 0.73220 -0.07670 -0.51162 0.78438 147 3PX 0.58273 0.02990 -0.94743 -0.49763 0.27269 148 3PY 0.07607 -0.04226 -0.50159 -0.07313 -0.00135 149 3PZ -0.39588 -0.27916 0.85917 0.18070 -0.65035 150 4XX 0.11647 -0.05533 -0.01962 0.19816 -0.23036 151 4YY -0.11172 0.05176 -0.03178 0.00867 -0.05920 152 4ZZ 0.09468 -0.18556 0.12814 -0.06380 0.07432 153 4XY 0.06692 -0.08981 -0.06607 -0.06223 -0.20151 154 4XZ 0.02392 0.00083 -0.10041 0.04657 0.06393 155 4YZ -0.07717 0.01152 0.05883 -0.12320 -0.19170 156 20 O 1S 0.01455 -0.01718 0.00040 0.01508 0.01365 157 2S 0.05293 -0.18686 -0.11854 0.14225 0.27648 158 2PX -0.21549 0.03741 -0.30952 0.07781 0.05463 159 2PY -0.04577 0.02609 0.10737 -0.03037 0.02990 160 2PZ 0.11010 0.11043 0.23794 -0.01675 -0.19768 161 3S -0.51406 0.73220 0.07670 -0.51160 -0.78440 162 3PX 0.58273 0.02991 0.94743 -0.49762 -0.27271 163 3PY -0.07607 0.04226 -0.50159 0.07313 -0.00134 164 3PZ -0.39587 -0.27917 -0.85917 0.18069 0.65034 165 4XX 0.11647 -0.05533 0.01962 0.19816 0.23037 166 4YY -0.11172 0.05176 0.03178 0.00867 0.05919 167 4ZZ 0.09468 -0.18556 -0.12814 -0.06381 -0.07433 168 4XY -0.06692 0.08981 -0.06607 0.06223 -0.20150 169 4XZ 0.02392 0.00083 0.10041 0.04657 -0.06392 170 4YZ 0.07717 -0.01152 0.05883 0.12321 -0.19169 171 21 C 1S -0.05234 -0.00937 0.00000 0.02837 0.00000 172 2S -0.82028 0.04646 0.00000 0.32664 0.00000 173 2PX 0.05178 -0.02876 0.00000 0.04113 0.00000 174 2PY 0.00000 0.00000 -0.17748 0.00000 0.06183 175 2PZ 0.00193 0.03011 0.00000 0.01053 0.00000 176 3S 2.59753 -0.03909 0.00000 -1.08476 -0.00001 177 3PX -0.02762 0.30914 0.00000 -0.26523 0.00000 178 3PY 0.00000 0.00000 -0.98905 -0.00001 0.27315 179 3PZ -0.30561 0.12323 0.00000 0.05755 0.00001 180 4XX -0.08376 0.07476 0.00000 0.08339 0.00000 181 4YY 0.10592 -0.07448 0.00000 -0.00379 0.00000 182 4ZZ -0.08509 -0.01018 0.00000 -0.05407 0.00000 183 4XY 0.00000 0.00000 -0.06746 0.00000 0.36239 184 4XZ 0.07623 -0.12740 0.00000 0.04479 0.00000 185 4YZ 0.00000 0.00000 0.16919 0.00000 0.29046 186 22 H 1S -0.24447 -0.12868 0.00000 0.14251 0.00000 187 2S -0.15182 0.08179 0.00000 0.16880 0.00000 188 23 H 1S -0.23101 0.05445 0.00000 0.04469 0.00000 189 2S -0.48245 0.12573 0.00000 -0.00428 0.00000 121 122 123 124 125 V V V V V Eigenvalues -- 1.43217 1.43861 1.47573 1.49205 1.52644 1 1 C 1S -0.00385 0.01659 0.00715 0.02111 -0.00049 2 2S 0.00365 -0.08802 0.14011 0.09056 0.17198 3 2PX -0.01533 -0.10448 0.06909 -0.00596 0.07963 4 2PY 0.03603 -0.01765 -0.00615 0.03431 0.05612 5 2PZ 0.01482 -0.08304 0.02812 0.02016 0.02913 6 3S -0.11067 -0.19018 -0.34418 0.74611 -0.30715 7 3PX 0.06450 0.02086 -0.08199 -0.98333 -0.21231 8 3PY -0.12141 0.27876 -0.09947 -0.90129 -0.22858 9 3PZ -0.07387 0.57229 -0.02712 0.70274 0.03676 10 4XX 0.21497 0.10699 -0.09940 0.02323 -0.07296 11 4YY -0.00068 0.00401 0.03976 0.00395 0.03296 12 4ZZ -0.22846 -0.06478 0.04315 0.06360 0.00139 13 4XY -0.14688 0.01620 0.06074 -0.00408 -0.02552 14 4XZ 0.02644 0.04684 -0.02047 0.01963 -0.01797 15 4YZ -0.19399 -0.04309 0.07848 -0.04865 -0.01801 16 2 C 1S -0.00385 -0.01658 0.00715 -0.02111 -0.00049 17 2S 0.00363 0.08803 0.14011 -0.09056 0.17199 18 2PX -0.01532 0.10448 0.06909 0.00596 0.07963 19 2PY -0.03602 -0.01764 0.00615 0.03431 -0.05612 20 2PZ 0.01483 0.08304 0.02812 -0.02016 0.02914 21 3S -0.11059 0.19017 -0.34417 -0.74612 -0.30716 22 3PX 0.06448 -0.02086 -0.08199 0.98333 -0.21230 23 3PY 0.12140 0.27876 0.09947 -0.90129 0.22858 24 3PZ -0.07391 -0.57229 -0.02712 -0.70273 0.03675 25 4XX 0.21496 -0.10700 -0.09940 -0.02323 -0.07297 26 4YY -0.00068 -0.00401 0.03976 -0.00395 0.03296 27 4ZZ -0.22846 0.06479 0.04315 -0.06359 0.00139 28 4XY 0.14688 0.01620 -0.06074 -0.00408 0.02552 29 4XZ 0.02644 -0.04684 -0.02047 -0.01963 -0.01797 30 4YZ 0.19398 -0.04310 -0.07848 -0.04865 0.01801 31 3 C 1S -0.00101 0.00078 -0.03063 0.03113 -0.00605 32 2S 0.01666 0.20857 -0.35369 0.64129 0.04299 33 2PX -0.05030 -0.19412 0.06781 -0.11834 0.00942 34 2PY 0.07919 0.06675 0.03658 0.04195 0.03941 35 2PZ -0.00583 0.09648 0.03727 -0.03269 0.02638 36 3S -0.02376 -2.13512 1.31310 -2.40637 -0.17909 37 3PX 0.27409 0.16793 0.12640 -0.12805 0.23800 38 3PY -0.49524 -1.88326 -0.33234 -0.76080 -0.54526 39 3PZ -0.38768 -0.68783 0.03809 0.54786 -0.83976 40 4XX 0.14756 0.03034 -0.03521 -0.20761 0.05013 41 4YY -0.04500 -0.07767 0.03732 0.07437 0.00717 42 4ZZ -0.11622 0.00319 -0.03372 0.14441 -0.06457 43 4XY -0.01039 0.03743 -0.25407 -0.00257 -0.01541 44 4XZ -0.10680 -0.01955 -0.18621 0.00475 -0.01454 45 4YZ 0.10273 0.14842 -0.08558 -0.09065 -0.06503 46 4 C 1S -0.00002 -0.03416 0.00419 -0.00385 0.00339 47 2S -0.06276 -0.63062 -0.15364 -0.09954 -0.13755 48 2PX -0.05038 0.00831 0.08891 0.03799 0.19639 49 2PY -0.06093 -0.00133 -0.08896 -0.00145 -0.07036 50 2PZ -0.08100 -0.14278 -0.10388 -0.05483 -0.03981 51 3S -0.34733 4.15945 -0.46486 1.29836 -0.48063 52 3PX -0.08223 -1.45991 -0.15044 -0.99560 -0.17989 53 3PY 0.49787 2.49203 0.54063 -0.16296 0.59545 54 3PZ 0.27539 2.11020 0.14341 1.13945 0.31878 55 4XX -0.21138 -0.12330 0.07408 0.14262 0.17052 56 4YY 0.00845 0.00994 0.00939 -0.01634 -0.07034 57 4ZZ 0.16897 0.11275 -0.07805 -0.12416 -0.07490 58 4XY 0.03947 0.01262 0.09515 -0.01622 -0.42477 59 4XZ -0.00115 0.00793 0.00437 -0.04653 -0.09818 60 4YZ -0.03372 0.02766 0.17961 0.03406 -0.26610 61 5 C 1S -0.00002 0.03416 0.00419 0.00385 0.00339 62 2S -0.06274 0.63063 -0.15364 0.09954 -0.13755 63 2PX -0.05038 -0.00831 0.08891 -0.03799 0.19639 64 2PY 0.06093 -0.00134 0.08896 -0.00145 0.07036 65 2PZ -0.08100 0.14279 -0.10388 0.05483 -0.03981 66 3S -0.34744 -4.15942 -0.46487 -1.29837 -0.48066 67 3PX -0.08219 1.45992 -0.15044 0.99560 -0.17987 68 3PY -0.49779 2.49208 -0.54062 -0.16297 -0.59543 69 3PZ 0.27534 -2.11023 0.14340 -1.13946 0.31875 70 4XX -0.21138 0.12331 0.07408 -0.14262 0.17052 71 4YY 0.00845 -0.00994 0.00939 0.01634 -0.07034 72 4ZZ 0.16897 -0.11276 -0.07805 0.12416 -0.07490 73 4XY -0.03947 0.01262 -0.09515 -0.01622 0.42477 74 4XZ -0.00115 -0.00793 0.00437 0.04653 -0.09818 75 4YZ 0.03373 0.02766 -0.17961 0.03406 0.26610 76 6 C 1S -0.00101 -0.00078 -0.03063 -0.03113 -0.00605 77 2S 0.01665 -0.20858 -0.35368 -0.64130 0.04299 78 2PX -0.05029 0.19413 0.06781 0.11834 0.00942 79 2PY -0.07919 0.06675 -0.03658 0.04195 -0.03941 80 2PZ -0.00584 -0.09648 0.03727 0.03269 0.02638 81 3S -0.02370 2.13515 1.31309 2.40639 -0.17907 82 3PX 0.27407 -0.16796 0.12639 0.12805 0.23800 83 3PY 0.49520 -1.88331 0.33233 -0.76081 0.54523 84 3PZ -0.38765 0.68787 0.03810 -0.54785 -0.83976 85 4XX 0.14756 -0.03035 -0.03521 0.20761 0.05013 86 4YY -0.04500 0.07768 0.03732 -0.07437 0.00717 87 4ZZ -0.11622 -0.00318 -0.03372 -0.14441 -0.06457 88 4XY 0.01038 0.03743 0.25407 -0.00257 0.01541 89 4XZ -0.10680 0.01955 -0.18621 -0.00475 -0.01454 90 4YZ -0.10273 0.14843 0.08558 -0.09064 0.06503 91 7 H 1S -0.01370 0.10324 0.05905 0.24365 0.04604 92 2S 0.03312 0.14327 0.06982 0.37997 0.11077 93 8 H 1S 0.17047 0.44196 0.09255 0.12986 0.09593 94 2S 0.18635 0.85120 0.23730 0.35071 0.29643 95 9 H 1S 0.17046 -0.44198 0.09255 -0.12986 0.09593 96 2S 0.18633 -0.85122 0.23729 -0.35071 0.29642 97 10 H 1S -0.06440 0.25010 -0.19623 -0.00850 -0.13857 98 2S -0.21999 0.43114 -0.27325 0.00681 -0.19639 99 11 H 1S -0.06441 -0.25010 -0.19623 0.00850 -0.13858 100 2S -0.22000 -0.43112 -0.27325 -0.00681 -0.19639 101 12 H 1S -0.01372 -0.10323 0.05905 -0.24365 0.04604 102 2S 0.03309 -0.14327 0.06982 -0.37997 0.11077 103 13 C 1S -0.00877 0.01117 0.02549 -0.00801 -0.01519 104 2S -0.07613 0.10823 0.31987 -0.14578 -0.17855 105 2PX 0.11635 -0.14125 0.01985 -0.00559 0.05062 106 2PY -0.01550 0.00978 -0.01887 0.03492 0.04832 107 2PZ -0.02710 0.05488 0.00825 0.10762 -0.09711 108 3S 0.60553 -1.65741 -0.92458 -0.13144 0.98805 109 3PX -0.27254 0.75769 -0.16014 0.29110 -0.03784 110 3PY 0.14038 0.05560 -0.25710 0.06414 0.19505 111 3PZ -0.15531 0.72999 0.07811 0.12535 -0.26382 112 4XX -0.08171 0.09639 -0.15995 0.01253 0.03921 113 4YY -0.02742 0.00416 0.03118 -0.01739 0.05393 114 4ZZ 0.09952 -0.10363 0.15504 -0.01156 -0.09875 115 4XY -0.16091 0.02409 -0.28774 -0.04550 -0.05599 116 4XZ 0.09809 -0.01819 0.20222 0.06222 0.13139 117 4YZ -0.04301 0.00984 -0.06538 0.02540 -0.19136 118 14 H 1S -0.01872 -0.13103 0.14761 -0.17148 -0.01188 119 2S 0.07826 -0.20126 0.12161 -0.03240 -0.03458 120 15 H 1S -0.01754 0.18231 0.06186 -0.03242 -0.07639 121 2S -0.28426 0.32808 0.15926 0.17323 -0.09900 122 16 C 1S -0.00877 -0.01117 0.02549 0.00801 -0.01519 123 2S -0.07612 -0.10823 0.31986 0.14579 -0.17855 124 2PX 0.11636 0.14124 0.01985 0.00559 0.05062 125 2PY 0.01550 0.00978 0.01887 0.03492 -0.04832 126 2PZ -0.02710 -0.05488 0.00825 -0.10762 -0.09711 127 3S 0.60554 1.65735 -0.92457 0.13142 0.98807 128 3PX -0.27257 -0.75767 -0.16014 -0.29110 -0.03785 129 3PY -0.14039 0.05561 0.25710 0.06414 -0.19505 130 3PZ -0.15534 -0.72998 0.07810 -0.12534 -0.26383 131 4XX -0.08171 -0.09638 -0.15995 -0.01253 0.03921 132 4YY -0.02742 -0.00416 0.03118 0.01739 0.05393 133 4ZZ 0.09953 0.10362 0.15504 0.01156 -0.09875 134 4XY 0.16091 0.02408 0.28774 -0.04550 0.05599 135 4XZ 0.09809 0.01818 0.20222 -0.06222 0.13139 136 4YZ 0.04301 0.00984 0.06538 0.02540 0.19136 137 17 H 1S -0.01754 -0.18230 0.06186 0.03242 -0.07640 138 2S -0.28427 -0.32806 0.15926 -0.17323 -0.09901 139 18 H 1S -0.01871 0.13104 0.14761 0.17148 -0.01188 140 2S 0.07827 0.20125 0.12161 0.03241 -0.03457 141 19 O 1S -0.00038 -0.00265 -0.00127 0.05076 0.01116 142 2S -0.04546 -0.00100 0.00749 0.82342 0.14871 143 2PX -0.08880 0.12765 -0.00099 -0.02274 -0.03657 144 2PY -0.02566 0.04648 -0.00155 -0.19774 -0.05595 145 2PZ -0.02735 -0.02985 0.04199 0.07303 -0.00277 146 3S 0.09441 -0.03003 -0.00557 -2.36699 -0.47558 147 3PX 0.27544 -0.39469 0.05285 0.04316 0.15513 148 3PY 0.09955 -0.14656 0.02833 0.79105 0.27376 149 3PZ 0.13945 0.07898 -0.17940 -0.16011 -0.03674 150 4XX -0.22338 -0.16302 0.08905 0.13923 0.05504 151 4YY 0.02321 -0.01342 -0.04493 0.39742 0.04832 152 4ZZ 0.15860 0.16961 -0.04352 0.10224 0.01048 153 4XY 0.08471 -0.11724 -0.01307 -0.03637 0.01813 154 4XZ -0.08437 -0.00746 0.03142 -0.15586 -0.03347 155 4YZ 0.12877 -0.05762 -0.06722 -0.03012 -0.01965 156 20 O 1S -0.00038 0.00265 -0.00127 -0.05076 0.01116 157 2S -0.04545 0.00100 0.00750 -0.82342 0.14870 158 2PX -0.08881 -0.12764 -0.00099 0.02274 -0.03657 159 2PY 0.02566 0.04648 0.00155 -0.19774 0.05595 160 2PZ -0.02736 0.02985 0.04199 -0.07302 -0.00277 161 3S 0.09437 0.03004 -0.00559 2.36700 -0.47557 162 3PX 0.27545 0.39469 0.05285 -0.04315 0.15514 163 3PY -0.09956 -0.14656 -0.02833 0.79105 -0.27375 164 3PZ 0.13948 -0.07899 -0.17940 0.16010 -0.03674 165 4XX -0.22336 0.16303 0.08905 -0.13923 0.05504 166 4YY 0.02322 0.01342 -0.04493 -0.39742 0.04831 167 4ZZ 0.15859 -0.16962 -0.04352 -0.10224 0.01048 168 4XY -0.08473 -0.11723 0.01307 -0.03637 -0.01813 169 4XZ -0.08437 0.00746 0.03142 0.15586 -0.03347 170 4YZ -0.12879 -0.05762 0.06722 -0.03012 0.01965 171 21 C 1S 0.00077 0.00000 -0.00742 0.00000 -0.00680 172 2S 0.01674 0.00000 -0.12543 0.00000 -0.07175 173 2PX 0.00494 0.00000 -0.01564 0.00000 0.06206 174 2PY 0.00000 -0.03452 0.00000 0.22517 0.00000 175 2PZ 0.03080 0.00000 -0.04163 0.00000 -0.01866 176 3S 0.03713 0.00001 0.46521 0.00001 0.66424 177 3PX -0.12312 0.00001 0.11271 0.00000 -0.01760 178 3PY 0.00000 -0.28120 0.00000 0.72594 0.00000 179 3PZ -0.34158 0.00001 0.18397 0.00000 -0.18281 180 4XX -0.09706 0.00000 0.02623 0.00000 -0.03329 181 4YY 0.02013 0.00000 0.02673 0.00000 0.04152 182 4ZZ 0.08016 0.00000 -0.04823 0.00000 -0.00095 183 4XY 0.00002 0.21279 0.00000 0.06656 0.00000 184 4XZ -0.03040 0.00000 0.04434 0.00000 -0.03231 185 4YZ 0.00002 0.27191 0.00000 -0.09108 0.00000 186 22 H 1S 0.01705 0.00000 -0.03681 0.00000 -0.03031 187 2S 0.19120 -0.00001 -0.23545 0.00000 -0.00633 188 23 H 1S -0.02912 0.00000 -0.03789 0.00000 -0.03846 189 2S -0.02222 0.00000 -0.00258 0.00000 -0.13428 126 127 128 129 130 V V V V V Eigenvalues -- 1.58531 1.63997 1.66107 1.72040 1.72342 1 1 C 1S 0.04041 0.01146 0.02966 0.00047 0.02805 2 2S 0.60443 0.17754 0.43739 -0.06667 0.23561 3 2PX 0.05267 0.02982 0.15248 -0.04971 0.06287 4 2PY 0.06555 -0.02327 0.05150 0.06864 0.02155 5 2PZ 0.00407 -0.03323 0.03689 -0.00716 0.05304 6 3S -1.95195 -0.15921 -1.51231 0.27915 -1.27495 7 3PX 0.02002 -0.73196 -0.44933 -0.16484 0.11217 8 3PY -0.80117 0.35736 -0.20333 -0.05411 -0.70047 9 3PZ -0.31286 0.42070 0.50460 0.12503 0.00263 10 4XX -0.13148 -0.09443 0.25040 0.00427 0.10741 11 4YY 0.01156 0.00610 0.00870 0.02774 -0.02800 12 4ZZ 0.14559 0.11823 -0.23958 -0.03051 -0.02969 13 4XY -0.13908 -0.06858 0.04765 0.04719 0.33870 14 4XZ 0.05068 -0.04521 0.06136 -0.05665 0.19740 15 4YZ -0.14712 -0.01642 -0.15480 -0.03911 0.13480 16 2 C 1S 0.04041 -0.01147 -0.02966 0.00047 0.02805 17 2S 0.60443 -0.17755 -0.43739 -0.06667 0.23561 18 2PX 0.05267 -0.02982 -0.15248 -0.04971 0.06287 19 2PY -0.06555 -0.02327 0.05150 -0.06864 -0.02155 20 2PZ 0.00407 0.03323 -0.03689 -0.00715 0.05304 21 3S -1.95193 0.15922 1.51232 0.27915 -1.27495 22 3PX 0.02002 0.73196 0.44933 -0.16484 0.11217 23 3PY 0.80118 0.35736 -0.20333 0.05411 0.70048 24 3PZ -0.31286 -0.42070 -0.50460 0.12503 0.00264 25 4XX -0.13148 0.09443 -0.25040 0.00427 0.10742 26 4YY 0.01156 -0.00610 -0.00870 0.02774 -0.02800 27 4ZZ 0.14559 -0.11823 0.23958 -0.03051 -0.02969 28 4XY 0.13908 -0.06858 0.04765 -0.04719 -0.33870 29 4XZ 0.05068 0.04521 -0.06136 -0.05665 0.19740 30 4YZ 0.14712 -0.01642 -0.15480 0.03911 -0.13480 31 3 C 1S -0.06585 0.00880 0.02092 -0.00388 -0.00646 32 2S -0.86147 0.21234 0.24354 0.00381 -0.14040 33 2PX 0.12199 -0.04604 -0.02972 -0.01769 -0.00267 34 2PY 0.03388 0.05603 0.01751 0.01672 -0.04950 35 2PZ 0.06053 -0.11499 -0.03250 0.08982 -0.03351 36 3S 2.89455 0.70201 -0.02443 0.21983 0.44285 37 3PX -0.56270 0.18077 0.19374 -0.07412 -0.04722 38 3PY -0.24692 0.40078 0.29735 0.31926 0.55569 39 3PZ 0.09253 0.11832 0.17456 0.12176 -0.12058 40 4XX 0.01466 0.21297 0.09823 0.05786 0.09062 41 4YY -0.05881 -0.01237 0.03545 -0.02503 -0.08377 42 4ZZ -0.01473 -0.20028 -0.09849 -0.01134 0.00701 43 4XY 0.13106 0.18219 0.08503 0.04383 0.01996 44 4XZ 0.08622 -0.04656 0.01102 0.09315 0.04476 45 4YZ 0.10411 0.21148 0.09647 -0.16222 0.01441 46 4 C 1S 0.00886 0.01619 0.01321 0.00191 0.00712 47 2S 0.08460 0.44101 0.29811 0.04334 0.01820 48 2PX 0.01941 -0.14529 -0.08141 -0.00707 0.00723 49 2PY -0.03679 0.02995 -0.00638 0.10126 0.02871 50 2PZ -0.01442 0.03085 0.01758 -0.01932 -0.04802 51 3S -0.58731 -1.82082 -1.23527 0.06462 -0.30184 52 3PX 0.22957 1.08923 0.48754 0.07063 0.19588 53 3PY 0.24850 -0.85118 -0.67273 -0.29228 -0.08259 54 3PZ -0.11400 -1.25572 -0.61118 -0.09019 -0.08225 55 4XX -0.04496 -0.24382 -0.08663 -0.01975 -0.17739 56 4YY 0.03283 0.01243 -0.00085 -0.09002 0.00094 57 4ZZ 0.04308 0.20695 0.08535 0.12270 0.20098 58 4XY -0.07928 0.01586 -0.01732 0.12220 0.03025 59 4XZ -0.03929 -0.06672 -0.03825 0.04755 0.02493 60 4YZ 0.04062 -0.09573 -0.05282 0.01506 0.00566 61 5 C 1S 0.00886 -0.01619 -0.01321 0.00191 0.00712 62 2S 0.08459 -0.44101 -0.29811 0.04333 0.01820 63 2PX 0.01941 0.14529 0.08141 -0.00707 0.00723 64 2PY 0.03679 0.02995 -0.00638 -0.10126 -0.02871 65 2PZ -0.01442 -0.03085 -0.01758 -0.01932 -0.04802 66 3S -0.58730 1.82083 1.23527 0.06462 -0.30184 67 3PX 0.22956 -1.08923 -0.48755 0.07062 0.19588 68 3PY -0.24851 -0.85118 -0.67273 0.29228 0.08259 69 3PZ -0.11399 1.25572 0.61118 -0.09019 -0.08225 70 4XX -0.04496 0.24383 0.08663 -0.01975 -0.17739 71 4YY 0.03283 -0.01243 0.00085 -0.09002 0.00094 72 4ZZ 0.04308 -0.20695 -0.08535 0.12270 0.20098 73 4XY 0.07928 0.01586 -0.01732 -0.12220 -0.03025 74 4XZ -0.03929 0.06672 0.03825 0.04755 0.02493 75 4YZ -0.04062 -0.09573 -0.05282 -0.01506 -0.00567 76 6 C 1S -0.06585 -0.00880 -0.02092 -0.00388 -0.00646 77 2S -0.86147 -0.21234 -0.24354 0.00380 -0.14040 78 2PX 0.12198 0.04604 0.02972 -0.01769 -0.00267 79 2PY -0.03388 0.05603 0.01751 -0.01672 0.04950 80 2PZ 0.06053 0.11499 0.03250 0.08982 -0.03351 81 3S 2.89454 -0.70203 0.02442 0.21984 0.44284 82 3PX -0.56270 -0.18076 -0.19374 -0.07412 -0.04722 83 3PY 0.24692 0.40079 0.29735 -0.31926 -0.55569 84 3PZ 0.09252 -0.11832 -0.17456 0.12177 -0.12058 85 4XX 0.01466 -0.21297 -0.09823 0.05786 0.09062 86 4YY -0.05881 0.01237 -0.03545 -0.02503 -0.08377 87 4ZZ -0.01473 0.20028 0.09848 -0.01134 0.00701 88 4XY -0.13106 0.18219 0.08503 -0.04383 -0.01996 89 4XZ 0.08622 0.04656 -0.01102 0.09315 0.04476 90 4YZ -0.10411 0.21148 0.09647 0.16222 -0.01441 91 7 H 1S 0.16784 0.00410 0.34675 -0.04172 0.33560 92 2S 0.33048 0.10319 0.44345 0.02786 0.31056 93 8 H 1S -0.02217 -0.27152 -0.14175 -0.03455 -0.03725 94 2S 0.01979 -0.52883 -0.24192 -0.09449 -0.03973 95 9 H 1S -0.02217 0.27152 0.14175 -0.03455 -0.03725 96 2S 0.01980 0.52883 0.24192 -0.09449 -0.03973 97 10 H 1S -0.40063 0.01189 -0.04630 0.09655 0.09025 98 2S -0.42936 -0.12525 -0.12476 0.09145 0.24610 99 11 H 1S -0.40063 -0.01189 0.04630 0.09655 0.09025 100 2S -0.42935 0.12525 0.12476 0.09146 0.24610 101 12 H 1S 0.16784 -0.00410 -0.34675 -0.04173 0.33561 102 2S 0.33048 -0.10319 -0.44344 0.02786 0.31056 103 13 C 1S 0.02591 -0.00199 -0.01454 0.01475 0.00447 104 2S 0.33608 -0.04669 -0.26379 0.19281 0.08022 105 2PX -0.02968 0.06841 0.04872 -0.04069 0.00052 106 2PY 0.00504 0.00558 -0.01057 0.06965 -0.05023 107 2PZ 0.05334 0.03428 0.02603 -0.06463 -0.05618 108 3S -1.44900 0.35146 0.95059 -0.58101 -0.13165 109 3PX -0.02103 -0.41005 -0.21830 0.11519 -0.01593 110 3PY -0.48940 -0.20977 -0.30371 -0.12686 0.17437 111 3PZ 0.32268 -0.20130 -0.00193 0.25156 0.19259 112 4XX -0.03709 -0.00065 0.00064 -0.04663 0.08733 113 4YY 0.01478 0.02181 0.01098 0.20202 0.04832 114 4ZZ 0.03336 -0.01300 -0.01301 -0.13476 -0.14499 115 4XY 0.00082 0.05654 0.00550 -0.04705 0.05511 116 4XZ -0.12910 0.07511 0.04121 0.07549 0.04390 117 4YZ 0.21133 -0.06638 -0.06022 0.10464 -0.20629 118 14 H 1S 0.13090 0.04082 -0.04372 0.01004 0.03371 119 2S 0.13304 0.18488 0.02273 -0.03849 -0.05525 120 15 H 1S 0.10230 -0.11426 -0.05521 0.01434 0.05426 121 2S 0.14263 -0.01877 -0.21792 0.17103 -0.08443 122 16 C 1S 0.02591 0.00199 0.01454 0.01475 0.00447 123 2S 0.33608 0.04669 0.26379 0.19279 0.08023 124 2PX -0.02968 -0.06841 -0.04872 -0.04069 0.00052 125 2PY -0.00504 0.00558 -0.01057 -0.06965 0.05023 126 2PZ 0.05334 -0.03428 -0.02603 -0.06463 -0.05618 127 3S -1.44901 -0.35145 -0.95059 -0.58097 -0.13169 128 3PX -0.02102 0.41005 0.21830 0.11519 -0.01593 129 3PY 0.48940 -0.20977 -0.30372 0.12687 -0.17438 130 3PZ 0.32268 0.20130 0.00193 0.25156 0.19259 131 4XX -0.03709 0.00065 -0.00064 -0.04663 0.08733 132 4YY 0.01478 -0.02181 -0.01098 0.20202 0.04832 133 4ZZ 0.03337 0.01300 0.01301 -0.13477 -0.14499 134 4XY -0.00082 0.05654 0.00550 0.04705 -0.05511 135 4XZ -0.12911 -0.07511 -0.04121 0.07549 0.04389 136 4YZ -0.21133 -0.06638 -0.06022 -0.10464 0.20629 137 17 H 1S 0.10230 0.11426 0.05521 0.01434 0.05426 138 2S 0.14263 0.01877 0.21792 0.17103 -0.08443 139 18 H 1S 0.13090 -0.04082 0.04372 0.01004 0.03372 140 2S 0.13304 -0.18488 -0.02273 -0.03849 -0.05525 141 19 O 1S -0.00353 0.02179 -0.00012 0.05702 -0.00429 142 2S -0.06690 0.45289 -0.05888 0.82042 -0.00076 143 2PX -0.13681 0.07077 -0.01638 -0.03146 -0.04590 144 2PY -0.08838 -0.05015 0.02747 -0.08044 -0.15034 145 2PZ 0.12581 -0.05579 0.10630 -0.02321 0.07643 146 3S 0.23635 -1.24083 0.04362 -2.74995 0.12656 147 3PX 0.73387 -0.36019 0.25276 0.20467 0.55130 148 3PY 0.42555 0.15273 0.05209 0.90287 0.47155 149 3PZ -0.60160 0.22923 -0.24478 -0.13034 -0.58279 150 4XX 0.00876 0.20402 -0.27249 0.14558 0.00099 151 4YY -0.08091 0.11480 0.10932 0.38153 -0.10705 152 4ZZ 0.02456 -0.01779 0.14053 0.03771 0.11345 153 4XY -0.01817 -0.13353 0.15298 -0.03967 0.14818 154 4XZ 0.05813 -0.11001 -0.01015 -0.24350 0.08463 155 4YZ -0.08771 -0.15810 0.29312 -0.07081 -0.05503 156 20 O 1S -0.00353 -0.02179 0.00012 0.05702 -0.00429 157 2S -0.06690 -0.45289 0.05888 0.82042 -0.00076 158 2PX -0.13681 -0.07077 0.01638 -0.03146 -0.04590 159 2PY 0.08838 -0.05015 0.02747 0.08044 0.15034 160 2PZ 0.12581 0.05579 -0.10631 -0.02321 0.07644 161 3S 0.23634 1.24083 -0.04362 -2.74995 0.12656 162 3PX 0.73387 0.36019 -0.25276 0.20467 0.55131 163 3PY -0.42555 0.15273 0.05210 -0.90287 -0.47156 164 3PZ -0.60160 -0.22923 0.24479 -0.13033 -0.58279 165 4XX 0.00876 -0.20402 0.27249 0.14558 0.00099 166 4YY -0.08091 -0.11480 -0.10932 0.38153 -0.10705 167 4ZZ 0.02456 0.01779 -0.14053 0.03771 0.11345 168 4XY 0.01817 -0.13352 0.15298 0.03967 -0.14818 169 4XZ 0.05813 0.11001 0.01015 -0.24350 0.08463 170 4YZ 0.08771 -0.15810 0.29312 0.07081 0.05503 171 21 C 1S -0.04134 0.00000 0.00000 -0.05876 -0.02098 172 2S -0.49560 0.00000 0.00000 -0.84802 -0.19273 173 2PX -0.01187 0.00000 0.00000 0.02825 0.06419 174 2PY 0.00000 0.01588 0.08177 0.00000 0.00000 175 2PZ -0.09204 0.00000 0.00000 -0.07632 -0.13578 176 3S 2.24398 -0.00001 -0.00001 3.65105 1.54645 177 3PX 0.26804 0.00000 0.00000 0.60578 0.19870 178 3PY 0.00000 -0.03206 0.23344 0.00000 0.00000 179 3PZ -0.11172 0.00000 0.00000 -0.75965 0.12224 180 4XX 0.02134 0.00000 0.00000 -0.00332 -0.11161 181 4YY 0.05039 0.00000 0.00000 0.14474 0.22901 182 4ZZ -0.03714 0.00000 0.00000 -0.11952 -0.09293 183 4XY 0.00000 0.03198 -0.10537 0.00000 0.00000 184 4XZ 0.01880 0.00000 0.00000 -0.19466 0.22960 185 4YZ 0.00000 0.04286 -0.13026 0.00000 0.00000 186 22 H 1S -0.18738 0.00000 0.00000 -0.12920 -0.17546 187 2S -0.33596 0.00000 0.00000 -0.33612 -0.26843 188 23 H 1S -0.23764 0.00000 0.00000 -0.28653 -0.09355 189 2S -0.17554 0.00000 0.00000 -0.31718 -0.09781 131 132 133 134 135 V V V V V Eigenvalues -- 1.75845 1.77090 1.79420 1.86000 1.87774 1 1 C 1S 0.00440 0.00093 0.01067 -0.00721 0.01815 2 2S -0.02478 -0.01288 0.11722 -0.15400 0.34214 3 2PX -0.00473 0.01368 -0.05850 -0.03453 -0.09236 4 2PY 0.10180 0.04658 -0.07241 0.00379 0.02077 5 2PZ -0.09580 -0.03143 0.02694 -0.01810 0.19965 6 3S 0.55809 0.02133 0.05568 0.62435 -0.43609 7 3PX -0.66936 -0.11324 0.00058 -0.02025 0.01811 8 3PY -0.83825 -0.08733 0.39888 -0.30335 -0.01090 9 3PZ 0.98699 0.07774 -0.28718 0.09420 -0.18447 10 4XX -0.00610 0.01893 -0.05974 -0.01989 -0.08673 11 4YY -0.01854 0.02055 0.03285 0.00557 0.11483 12 4ZZ 0.08144 -0.05421 0.03540 0.03307 -0.06592 13 4XY 0.10616 0.07355 -0.16395 0.04390 -0.20452 14 4XZ 0.09132 -0.07373 -0.11055 -0.00120 0.13740 15 4YZ -0.02612 -0.05049 0.00512 0.04271 0.26365 16 2 C 1S -0.00440 0.00093 0.01067 0.00721 0.01815 17 2S 0.02478 -0.01288 0.11722 0.15400 0.34214 18 2PX 0.00473 0.01369 -0.05850 0.03453 -0.09236 19 2PY 0.10180 -0.04658 0.07241 0.00379 -0.02076 20 2PZ 0.09580 -0.03142 0.02694 0.01810 0.19965 21 3S -0.55810 0.02132 0.05568 -0.62435 -0.43608 22 3PX 0.66936 -0.11324 0.00058 0.02025 0.01812 23 3PY -0.83825 0.08732 -0.39888 -0.30335 0.01091 24 3PZ -0.98699 0.07773 -0.28717 -0.09420 -0.18447 25 4XX 0.00610 0.01893 -0.05974 0.01990 -0.08673 26 4YY 0.01854 0.02055 0.03285 -0.00557 0.11483 27 4ZZ -0.08144 -0.05421 0.03540 -0.03307 -0.06592 28 4XY 0.10616 -0.07355 0.16395 0.04390 0.20452 29 4XZ -0.09131 -0.07374 -0.11055 0.00120 0.13740 30 4YZ -0.02612 0.05049 -0.00512 0.04271 -0.26365 31 3 C 1S 0.02083 0.00895 -0.01305 -0.01185 -0.00026 32 2S 0.21967 -0.15013 -0.42506 0.02960 -0.08239 33 2PX 0.01551 0.10631 0.05173 -0.04976 0.09418 34 2PY -0.08119 -0.01626 -0.17801 0.05539 0.03131 35 2PZ -0.16323 -0.16027 -0.07973 0.02019 -0.01121 36 3S -1.44221 0.16618 1.04157 0.80904 0.31392 37 3PX 0.50950 -0.19349 0.05066 0.53073 -0.05461 38 3PY -0.00163 0.12662 1.24010 0.64372 0.40333 39 3PZ -0.64774 0.22910 0.24869 0.03754 -0.19188 40 4XX -0.03778 0.00104 -0.03389 0.00844 0.15816 41 4YY 0.00263 -0.04570 0.07296 -0.12203 -0.12103 42 4ZZ -0.01904 0.08851 -0.02366 0.11666 0.04437 43 4XY 0.13126 -0.12429 0.15869 0.36430 -0.14600 44 4XZ -0.14267 -0.03972 -0.01946 0.33698 0.15177 45 4YZ -0.03594 0.24422 0.06008 -0.09702 -0.01489 46 4 C 1S 0.01125 0.00161 -0.00062 0.01332 0.01746 47 2S 0.12872 -0.04613 -0.03930 -0.04279 0.13351 48 2PX 0.01429 -0.02878 0.06883 0.03669 -0.04026 49 2PY 0.00462 -0.10438 0.07964 -0.10490 0.01526 50 2PZ -0.01998 0.05755 -0.12898 -0.06130 0.05691 51 3S -0.66540 0.03723 -0.15224 -1.12850 -0.50090 52 3PX 0.42315 0.01483 0.38254 0.36580 0.20898 53 3PY -0.19068 0.12019 -0.49071 -0.44227 0.04691 54 3PZ -0.38734 -0.05095 -0.43220 -0.50658 -0.14930 55 4XX -0.00205 -0.02475 -0.17808 -0.03265 0.00846 56 4YY -0.01888 0.17847 0.02449 -0.12606 0.01567 57 4ZZ -0.02457 -0.15706 0.15874 0.13249 0.04027 58 4XY 0.03990 -0.08702 0.00664 -0.05167 -0.00705 59 4XZ -0.11780 0.10979 -0.22736 -0.01494 0.28972 60 4YZ 0.01840 0.01907 0.20112 -0.00362 -0.00626 61 5 C 1S -0.01125 0.00161 -0.00062 -0.01332 0.01746 62 2S -0.12872 -0.04613 -0.03930 0.04279 0.13351 63 2PX -0.01429 -0.02878 0.06883 -0.03669 -0.04026 64 2PY 0.00462 0.10438 -0.07964 -0.10490 -0.01526 65 2PZ 0.01998 0.05755 -0.12899 0.06130 0.05691 66 3S 0.66540 0.03724 -0.15224 1.12850 -0.50091 67 3PX -0.42315 0.01483 0.38254 -0.36580 0.20898 68 3PY -0.19068 -0.12020 0.49072 -0.44227 -0.04692 69 3PZ 0.38734 -0.05094 -0.43220 0.50658 -0.14931 70 4XX 0.00205 -0.02475 -0.17808 0.03265 0.00847 71 4YY 0.01888 0.17847 0.02449 0.12606 0.01567 72 4ZZ 0.02457 -0.15706 0.15874 -0.13249 0.04027 73 4XY 0.03990 0.08702 -0.00664 -0.05167 0.00705 74 4XZ 0.11780 0.10979 -0.22736 0.01494 0.28972 75 4YZ 0.01840 -0.01906 -0.20112 -0.00362 0.00626 76 6 C 1S -0.02083 0.00895 -0.01305 0.01185 -0.00026 77 2S -0.21967 -0.15013 -0.42506 -0.02960 -0.08240 78 2PX -0.01552 0.10631 0.05173 0.04976 0.09418 79 2PY -0.08119 0.01626 0.17801 0.05539 -0.03131 80 2PZ 0.16323 -0.16026 -0.07972 -0.02019 -0.01121 81 3S 1.44220 0.16620 1.04156 -0.80905 0.31393 82 3PX -0.50950 -0.19350 0.05065 -0.53073 -0.05461 83 3PY -0.00163 -0.12662 -1.24010 0.64373 -0.40334 84 3PZ 0.64774 0.22911 0.24869 -0.03754 -0.19188 85 4XX 0.03778 0.00104 -0.03389 -0.00844 0.15816 86 4YY -0.00263 -0.04571 0.07296 0.12203 -0.12103 87 4ZZ 0.01904 0.08851 -0.02366 -0.11666 0.04437 88 4XY 0.13126 0.12430 -0.15869 0.36430 0.14601 89 4XZ 0.14267 -0.03972 -0.01946 -0.33699 0.15177 90 4YZ -0.03594 -0.24422 -0.06008 -0.09702 0.01489 91 7 H 1S 0.17735 -0.04773 -0.09540 -0.00886 0.26090 92 2S 0.60124 0.10178 -0.21685 0.01303 -0.08207 93 8 H 1S -0.12132 0.05671 -0.39236 -0.13906 0.12582 94 2S -0.17747 0.00010 -0.22483 -0.18603 -0.04252 95 9 H 1S 0.12132 0.05671 -0.39236 0.13906 0.12582 96 2S 0.17747 0.00010 -0.22483 0.18603 -0.04252 97 10 H 1S -0.13472 0.06205 0.09438 -0.13467 0.14726 98 2S -0.17825 -0.00722 0.38264 -0.15268 0.13331 99 11 H 1S 0.13472 0.06205 0.09438 0.13467 0.14726 100 2S 0.17825 -0.00722 0.38264 0.15268 0.13331 101 12 H 1S -0.17735 -0.04773 -0.09540 0.00886 0.26090 102 2S -0.60124 0.10177 -0.21685 -0.01303 -0.08207 103 13 C 1S 0.12518 -0.00035 0.00846 -0.00079 -0.00964 104 2S 1.56362 0.14134 0.14162 -0.27154 -0.08547 105 2PX -0.02238 -0.05755 0.02212 -0.12188 -0.03187 106 2PY 0.06203 -0.22720 -0.09252 0.00462 -0.05441 107 2PZ -0.12564 0.09408 -0.00636 0.05128 0.02299 108 3S -5.60430 -0.22410 -0.61769 0.87326 0.29403 109 3PX 0.03106 0.14686 -0.25633 1.41168 0.02940 110 3PY 0.91703 0.24919 0.20168 -0.29289 0.22957 111 3PZ 0.81668 0.02745 0.31807 -0.05453 0.08129 112 4XX 0.02076 0.10456 0.10920 -0.23055 0.11870 113 4YY -0.02761 -0.30989 0.03441 -0.03630 -0.07181 114 4ZZ 0.05498 0.19229 -0.16317 0.28341 -0.03568 115 4XY 0.00579 0.11449 0.01424 -0.26254 -0.02200 116 4XZ -0.08583 -0.09077 0.10699 -0.01447 0.06928 117 4YZ 0.13243 -0.16756 -0.36414 0.03479 -0.02329 118 14 H 1S 0.40232 -0.04101 0.08460 -0.20808 -0.09637 119 2S 0.24822 -0.03879 0.03971 -0.39234 -0.06891 120 15 H 1S 0.43468 0.00265 0.03719 0.28157 -0.05715 121 2S 0.33037 0.06385 -0.15429 0.34558 -0.13417 122 16 C 1S -0.12518 -0.00036 0.00846 0.00079 -0.00964 123 2S -1.56362 0.14132 0.14162 0.27154 -0.08547 124 2PX 0.02238 -0.05755 0.02212 0.12188 -0.03187 125 2PY 0.06202 0.22720 0.09252 0.00462 0.05441 126 2PZ 0.12564 0.09408 -0.00636 -0.05128 0.02299 127 3S 5.60431 -0.22403 -0.61769 -0.87326 0.29403 128 3PX -0.03107 0.14686 -0.25632 -1.41168 0.02940 129 3PY 0.91703 -0.24917 -0.20168 -0.29288 -0.22957 130 3PZ -0.81668 0.02744 0.31807 0.05453 0.08129 131 4XX -0.02076 0.10456 0.10920 0.23055 0.11870 132 4YY 0.02762 -0.30989 0.03441 0.03630 -0.07181 133 4ZZ -0.05498 0.19229 -0.16317 -0.28341 -0.03568 134 4XY 0.00579 -0.11449 -0.01424 -0.26254 0.02200 135 4XZ 0.08583 -0.09077 0.10699 0.01447 0.06928 136 4YZ 0.13243 0.16756 0.36413 0.03479 0.02329 137 17 H 1S -0.43468 0.00265 0.03719 -0.28157 -0.05715 138 2S -0.33038 0.06384 -0.15429 -0.34558 -0.13417 139 18 H 1S -0.40232 -0.04101 0.08460 0.20809 -0.09637 140 2S -0.24822 -0.03879 0.03971 0.39234 -0.06891 141 19 O 1S 0.01605 0.02677 -0.00078 0.00052 0.00939 142 2S 0.12767 0.43330 -0.07307 -0.01547 0.12967 143 2PX -0.01718 -0.01187 -0.05328 -0.01833 -0.00220 144 2PY 0.04211 -0.02607 0.06273 0.00829 -0.03900 145 2PZ -0.02560 -0.01219 -0.00892 -0.00858 0.05845 146 3S -0.74972 -1.41810 0.10818 -0.04076 -0.41814 147 3PX -0.02010 0.14160 -0.02437 -0.00805 -0.09705 148 3PY 0.13128 0.46446 -0.19548 0.00550 0.16535 149 3PZ -0.02616 -0.09687 0.16003 0.01410 -0.09787 150 4XX -0.00930 0.05155 0.01731 0.02095 0.00725 151 4YY 0.16032 0.18222 0.03391 -0.01757 0.08557 152 4ZZ -0.01567 0.03307 -0.09922 -0.00392 0.00967 153 4XY -0.02342 -0.06680 -0.12538 0.00440 0.02776 154 4XZ 0.13649 -0.16401 0.01427 0.05709 0.07949 155 4YZ 0.05571 -0.10431 -0.00217 0.01781 0.15691 156 20 O 1S -0.01606 0.02677 -0.00078 -0.00052 0.00939 157 2S -0.12768 0.43330 -0.07307 0.01547 0.12967 158 2PX 0.01718 -0.01187 -0.05328 0.01834 -0.00220 159 2PY 0.04211 0.02607 -0.06273 0.00829 0.03900 160 2PZ 0.02561 -0.01219 -0.00892 0.00858 0.05845 161 3S 0.74976 -1.41809 0.10818 0.04076 -0.41814 162 3PX 0.02010 0.14160 -0.02437 0.00805 -0.09706 163 3PY 0.13129 -0.46446 0.19547 0.00550 -0.16535 164 3PZ 0.02616 -0.09687 0.16003 -0.01410 -0.09787 165 4XX 0.00930 0.05155 0.01731 -0.02095 0.00725 166 4YY -0.16033 0.18222 0.03391 0.01757 0.08556 167 4ZZ 0.01567 0.03307 -0.09922 0.00392 0.00968 168 4XY -0.02342 0.06680 0.12538 0.00440 -0.02777 169 4XZ -0.13649 -0.16402 0.01427 -0.05709 0.07949 170 4YZ 0.05571 0.10431 0.00217 0.01781 -0.15691 171 21 C 1S 0.00000 -0.02973 -0.01145 0.00000 -0.03006 172 2S 0.00001 -0.45816 -0.14936 0.00000 -0.28436 173 2PX 0.00000 -0.02926 -0.09247 0.00000 -0.07290 174 2PY 0.10018 0.00000 0.00000 0.01876 0.00000 175 2PZ 0.00000 -0.06256 0.04582 0.00000 0.02803 176 3S -0.00002 1.87526 -0.00914 0.00000 0.93779 177 3PX 0.00000 0.31854 0.12456 0.00000 0.72043 178 3PY 0.19502 0.00000 0.00000 -0.01361 0.00000 179 3PZ 0.00001 -0.47228 -0.13236 0.00000 0.04966 180 4XX 0.00000 0.03871 0.15274 0.00000 0.15398 181 4YY 0.00000 0.15479 -0.19588 0.00000 -0.39644 182 4ZZ 0.00000 -0.17924 0.04503 0.00000 0.27184 183 4XY 0.09819 0.00000 0.00000 0.03599 0.00000 184 4XZ 0.00000 -0.05058 -0.12551 0.00000 -0.20798 185 4YZ 0.00620 0.00000 0.00000 0.06819 0.00000 186 22 H 1S 0.00000 -0.00296 -0.01389 0.00000 -0.36274 187 2S 0.00000 -0.09459 0.09024 0.00000 -0.08656 188 23 H 1S 0.00000 -0.20675 -0.07907 0.00000 -0.03308 189 2S 0.00000 -0.13976 0.06793 0.00000 0.20133 136 137 138 139 140 V V V V V Eigenvalues -- 1.88529 1.90843 1.93559 1.95824 1.97649 1 1 C 1S 0.00836 0.01014 -0.00140 -0.01407 -0.00145 2 2S 0.12266 0.02844 0.13486 -0.13280 0.21215 3 2PX 0.01882 -0.08753 0.07032 -0.06276 -0.12018 4 2PY -0.18556 -0.00137 0.00912 -0.04398 0.02241 5 2PZ -0.02113 0.05397 -0.04876 -0.02394 0.07420 6 3S 0.22176 0.10107 -0.25651 0.61357 0.17088 7 3PX 0.07277 0.01355 -0.06501 -0.08219 0.17728 8 3PY -0.80603 0.07346 0.04005 0.01495 0.29298 9 3PZ 0.63152 0.06607 -0.25062 0.35300 -0.34324 10 4XX -0.00744 0.04191 -0.13786 -0.01666 -0.10769 11 4YY 0.04542 0.02449 0.08138 0.04681 0.10564 12 4ZZ -0.03310 -0.02735 0.00723 0.00810 -0.01201 13 4XY -0.27382 -0.03967 -0.00618 0.03129 0.09387 14 4XZ 0.17035 0.17968 -0.14890 0.05915 0.22157 15 4YZ 0.05619 0.13122 -0.22142 0.02813 -0.22493 16 2 C 1S -0.00836 0.01014 -0.00140 0.01407 -0.00144 17 2S -0.12265 0.02844 0.13485 0.13280 0.21221 18 2PX -0.01882 -0.08753 0.07032 0.06276 -0.12017 19 2PY -0.18556 0.00137 -0.00912 -0.04398 -0.02240 20 2PZ 0.02113 0.05397 -0.04876 0.02394 0.07421 21 3S -0.22176 0.10106 -0.25649 -0.61357 0.17072 22 3PX -0.07277 0.01355 -0.06501 0.08219 0.17726 23 3PY -0.80603 -0.07347 -0.04005 0.01495 -0.29301 24 3PZ -0.63152 0.06606 -0.25061 -0.35300 -0.34328 25 4XX 0.00744 0.04191 -0.13786 0.01665 -0.10771 26 4YY -0.04542 0.02449 0.08138 -0.04681 0.10564 27 4ZZ 0.03310 -0.02735 0.00723 -0.00811 -0.01201 28 4XY -0.27382 0.03967 0.00618 0.03129 -0.09385 29 4XZ -0.17035 0.17968 -0.14890 -0.05915 0.22157 30 4YZ 0.05618 -0.13122 0.22141 0.02813 0.22494 31 3 C 1S -0.00092 0.00090 -0.00048 -0.02238 0.00855 32 2S 0.06221 -0.07392 -0.00410 -0.45036 -0.14085 33 2PX -0.02038 -0.03830 0.06485 0.04119 -0.10342 34 2PY -0.06503 0.02094 0.06627 -0.15534 -0.12436 35 2PZ -0.04868 -0.01929 0.02264 -0.05139 0.06912 36 3S -0.27096 -0.14638 0.11429 1.31269 -0.14560 37 3PX 0.18337 -0.20317 -0.21465 0.07915 0.23958 38 3PY 0.21480 -0.34678 0.24187 -0.16906 0.17830 39 3PZ -0.03361 0.25700 -0.17266 0.13908 -0.16008 40 4XX -0.03808 -0.09766 0.18831 -0.25751 -0.00295 41 4YY 0.10543 -0.03081 -0.08184 0.40711 0.00069 42 4ZZ -0.08177 0.07851 -0.04246 -0.09325 -0.03731 43 4XY 0.04908 -0.01400 -0.29698 0.13386 0.06865 44 4XZ -0.01315 -0.25163 0.00991 0.11378 -0.09551 45 4YZ -0.07498 0.04738 -0.10412 0.15449 -0.06258 46 4 C 1S 0.00129 -0.01176 0.00809 0.00055 0.00030 47 2S -0.06109 -0.33229 -0.05925 0.08527 0.04679 48 2PX 0.03093 0.04523 -0.02102 -0.05786 -0.01279 49 2PY -0.04186 -0.10038 -0.08219 -0.17751 0.07779 50 2PZ -0.02354 0.00533 0.01661 0.05957 0.00765 51 3S -0.13787 0.61259 -0.13712 -0.17788 -0.20476 52 3PX 0.05610 -0.25454 0.13881 0.34529 -0.05888 53 3PY -0.15321 0.10514 0.10871 0.33933 -0.04978 54 3PZ -0.19342 0.21549 -0.02350 -0.46782 0.09418 55 4XX 0.01911 -0.15559 -0.20987 0.10453 0.10945 56 4YY -0.03061 0.21562 0.20242 -0.01482 -0.12305 57 4ZZ -0.00130 -0.14539 0.00753 -0.05816 -0.00001 58 4XY -0.03808 0.03265 -0.01398 -0.09659 0.19659 59 4XZ -0.06254 -0.12760 0.14356 -0.11613 -0.04834 60 4YZ 0.01233 -0.14872 -0.00697 0.15025 -0.20405 61 5 C 1S -0.00129 -0.01176 0.00809 -0.00055 0.00030 62 2S 0.06109 -0.33229 -0.05925 -0.08527 0.04682 63 2PX -0.03093 0.04523 -0.02102 0.05786 -0.01280 64 2PY -0.04186 0.10038 0.08220 -0.17751 -0.07780 65 2PZ 0.02354 0.00533 0.01661 -0.05957 0.00765 66 3S 0.13786 0.61259 -0.13712 0.17788 -0.20481 67 3PX -0.05609 -0.25455 0.13881 -0.34529 -0.05888 68 3PY -0.15321 -0.10514 -0.10872 0.33933 0.04984 69 3PZ 0.19342 0.21550 -0.02351 0.46782 0.09418 70 4XX -0.01911 -0.15559 -0.20986 -0.10453 0.10944 71 4YY 0.03061 0.21563 0.20242 0.01482 -0.12304 72 4ZZ 0.00130 -0.14539 0.00752 0.05816 -0.00001 73 4XY -0.03808 -0.03266 0.01398 -0.09659 -0.19661 74 4XZ 0.06254 -0.12760 0.14356 0.11613 -0.04833 75 4YZ 0.01233 0.14872 0.00697 0.15025 0.20405 76 6 C 1S 0.00092 0.00090 -0.00048 0.02238 0.00855 77 2S -0.06221 -0.07392 -0.00410 0.45036 -0.14081 78 2PX 0.02038 -0.03830 0.06485 -0.04119 -0.10342 79 2PY -0.06503 -0.02095 -0.06627 -0.15534 0.12435 80 2PZ 0.04868 -0.01929 0.02264 0.05139 0.06910 81 3S 0.27097 -0.14639 0.11431 -1.31268 -0.14571 82 3PX -0.18337 -0.20317 -0.21465 -0.07915 0.23960 83 3PY 0.21479 0.34678 -0.24187 -0.16906 -0.17832 84 3PZ 0.03361 0.25700 -0.17266 -0.13908 -0.16004 85 4XX 0.03808 -0.09766 0.18831 0.25751 -0.00295 86 4YY -0.10543 -0.03082 -0.08183 -0.40711 0.00067 87 4ZZ 0.08177 0.07851 -0.04246 0.09325 -0.03728 88 4XY 0.04908 0.01400 0.29698 0.13386 -0.06865 89 4XZ 0.01315 -0.25163 0.00991 -0.11378 -0.09551 90 4YZ -0.07498 -0.04739 0.10412 0.15449 0.06256 91 7 H 1S 0.36626 0.12206 -0.22658 -0.01832 -0.25843 92 2S 0.35131 -0.04396 0.01575 0.05864 -0.19269 93 8 H 1S -0.10288 0.10237 0.07327 -0.19700 0.17377 94 2S -0.07097 0.01815 -0.02616 -0.03622 0.02154 95 9 H 1S 0.10288 0.10237 0.07327 0.19700 0.17379 96 2S 0.07097 0.01815 -0.02616 0.03621 0.02153 97 10 H 1S 0.00739 -0.00980 0.16426 0.51560 0.04237 98 2S -0.15098 -0.14794 0.07185 0.05846 0.06081 99 11 H 1S -0.00739 -0.00980 0.16426 -0.51560 0.04234 100 2S 0.15098 -0.14794 0.07185 -0.05846 0.06080 101 12 H 1S -0.36626 0.12205 -0.22658 0.01832 -0.25841 102 2S -0.35131 -0.04397 0.01575 -0.05863 -0.19269 103 13 C 1S 0.03183 0.03101 0.00552 -0.00097 -0.01526 104 2S 0.31323 -0.12486 -0.24073 0.14907 -0.04509 105 2PX -0.02985 -0.00916 0.06669 -0.02871 0.05575 106 2PY -0.00276 0.08251 0.11090 -0.10597 -0.05545 107 2PZ -0.01182 0.02286 0.01412 -0.08711 0.03136 108 3S -1.12420 -0.29536 0.18943 -0.13622 0.32546 109 3PX 0.19106 0.10219 0.10187 0.51990 -0.16867 110 3PY 0.21125 -0.29196 -0.05771 0.60632 0.18169 111 3PZ 0.16953 -0.03795 0.05786 0.36449 -0.12832 112 4XX -0.01073 -0.29073 -0.00246 0.07557 0.10324 113 4YY -0.02389 0.32144 0.22706 0.05276 -0.18769 114 4ZZ 0.03294 -0.02348 -0.18634 -0.16021 0.08940 115 4XY 0.01964 0.13203 0.24604 -0.05133 0.00670 116 4XZ -0.06165 -0.21216 0.09434 0.16607 0.05253 117 4YZ -0.00775 -0.04123 0.01589 -0.30050 -0.03015 118 14 H 1S 0.09062 0.22370 -0.12164 -0.12719 -0.08409 119 2S -0.01293 -0.03383 -0.02108 -0.28849 0.07776 120 15 H 1S 0.12351 0.25387 0.17362 0.12582 -0.08073 121 2S 0.13097 -0.00157 -0.06368 -0.03165 -0.07936 122 16 C 1S -0.03183 0.03101 0.00552 0.00097 -0.01527 123 2S -0.31323 -0.12487 -0.24073 -0.14907 -0.04508 124 2PX 0.02985 -0.00916 0.06669 0.02871 0.05575 125 2PY -0.00276 -0.08251 -0.11090 -0.10597 0.05545 126 2PZ 0.01182 0.02286 0.01412 0.08711 0.03134 127 3S 1.12420 -0.29534 0.18943 0.13622 0.32550 128 3PX -0.19106 0.10220 0.10187 -0.51990 -0.16865 129 3PY 0.21124 0.29197 0.05770 0.60632 -0.18166 130 3PZ -0.16953 -0.03796 0.05786 -0.36449 -0.12829 131 4XX 0.01073 -0.29073 -0.00246 -0.07557 0.10324 132 4YY 0.02389 0.32144 0.22706 -0.05276 -0.18768 133 4ZZ -0.03294 -0.02348 -0.18634 0.16021 0.08939 134 4XY 0.01964 -0.13202 -0.24604 -0.05133 -0.00668 135 4XZ 0.06165 -0.21216 0.09434 -0.16607 0.05254 136 4YZ -0.00775 0.04123 -0.01589 -0.30050 0.03014 137 17 H 1S -0.12351 0.25387 0.17362 -0.12582 -0.08073 138 2S -0.13097 -0.00157 -0.06368 0.03165 -0.07936 139 18 H 1S -0.09062 0.22370 -0.12164 0.12719 -0.08411 140 2S 0.01293 -0.03384 -0.02108 0.28849 0.07775 141 19 O 1S -0.01509 0.01040 -0.01790 0.01371 -0.01442 142 2S 0.01772 0.26950 -0.24331 -0.03277 0.28887 143 2PX 0.00859 0.05240 -0.06137 0.03562 0.05764 144 2PY -0.21166 -0.03259 0.02562 0.07796 -0.09289 145 2PZ 0.05552 -0.00192 -0.07257 -0.09253 -0.13624 146 3S 0.17662 -0.76059 0.83056 -0.28143 -0.27742 147 3PX -0.05454 -0.15227 0.20874 -0.15379 0.06856 148 3PY 0.29771 0.19143 -0.27808 -0.07129 0.02819 149 3PZ -0.14158 -0.01391 0.20875 0.18124 0.27682 150 4XX 0.07844 0.05576 -0.05248 0.00784 -0.03673 151 4YY -0.44202 0.11094 -0.10646 0.08149 0.07367 152 4ZZ 0.29938 -0.01673 0.01188 -0.03833 0.05522 153 4XY 0.24535 0.00653 -0.11417 0.05764 -0.15921 154 4XZ -0.17127 0.00809 0.07734 0.04300 0.21476 155 4YZ -0.12673 0.06807 -0.13220 -0.02460 -0.12424 156 20 O 1S 0.01509 0.01040 -0.01790 -0.01371 -0.01442 157 2S -0.01772 0.26950 -0.24331 0.03276 0.28883 158 2PX -0.00859 0.05240 -0.06137 -0.03562 0.05764 159 2PY -0.21166 0.03259 -0.02562 0.07796 0.09287 160 2PZ -0.05552 -0.00192 -0.07257 0.09253 -0.13625 161 3S -0.17662 -0.76058 0.83055 0.28145 -0.27735 162 3PX 0.05454 -0.15227 0.20874 0.15378 0.06857 163 3PY 0.29771 -0.19142 0.27808 -0.07129 -0.02817 164 3PZ 0.14158 -0.01391 0.20875 -0.18124 0.27683 165 4XX -0.07844 0.05576 -0.05248 -0.00784 -0.03674 166 4YY 0.44202 0.11094 -0.10646 -0.08149 0.07367 167 4ZZ -0.29938 -0.01673 0.01188 0.03833 0.05522 168 4XY 0.24535 -0.00653 0.11417 0.05763 0.15919 169 4XZ 0.17127 0.00809 0.07734 -0.04300 0.21475 170 4YZ -0.12673 -0.06807 0.13220 -0.02459 0.12425 171 21 C 1S 0.00000 -0.01989 0.01311 0.00000 -0.02276 172 2S 0.00000 -0.21755 0.13179 0.00000 -0.06185 173 2PX 0.00000 -0.01859 -0.04907 0.00000 0.00808 174 2PY -0.04606 0.00000 0.00000 -0.10171 0.00001 175 2PZ 0.00000 -0.00154 -0.00205 0.00000 -0.03364 176 3S 0.00000 0.82893 -0.80698 -0.00001 0.47161 177 3PX 0.00000 0.40517 -0.51722 0.00000 -0.37604 178 3PY -0.19163 0.00000 0.00000 0.04648 -0.00001 179 3PZ 0.00000 -0.04788 -0.11638 0.00000 -0.39627 180 4XX 0.00000 0.08979 0.10207 0.00000 0.28115 181 4YY 0.00000 -0.16320 -0.01012 0.00000 -0.30416 182 4ZZ 0.00000 0.09537 -0.09598 0.00000 0.02595 183 4XY -0.05584 0.00000 0.00000 0.17053 -0.00002 184 4XZ 0.00000 -0.10470 0.11033 0.00000 0.07875 185 4YZ 0.10770 0.00000 0.00000 -0.09283 0.00002 186 22 H 1S 0.00000 -0.16417 0.21644 0.00000 0.02314 187 2S 0.00000 -0.10703 0.17348 0.00000 0.12479 188 23 H 1S 0.00000 -0.05452 -0.13320 0.00000 -0.38121 189 2S 0.00000 0.06028 -0.06773 0.00000 -0.19217 141 142 143 144 145 V V V V V Eigenvalues -- 1.97828 1.98101 2.00055 2.01934 2.04153 1 1 C 1S 0.01270 0.01707 0.00851 0.00490 0.00219 2 2S 0.42808 0.28660 -0.04397 0.16435 0.30798 3 2PX 0.00512 0.12707 0.12070 0.04872 0.03453 4 2PY -0.05046 0.03770 0.09397 -0.20063 -0.19550 5 2PZ 0.08721 -0.01757 -0.04842 0.05644 -0.01699 6 3S -1.12177 -1.19322 -0.52589 -0.20889 -0.08213 7 3PX -0.04205 -0.26050 -0.27745 -0.15634 -0.01689 8 3PY 0.20565 -0.00101 -0.39444 0.09571 0.43751 9 3PZ -0.30238 -0.17944 0.07148 0.09181 -0.23687 10 4XX -0.08610 -0.08395 -0.09490 0.33041 0.02754 11 4YY 0.08011 -0.05178 0.18170 -0.35616 -0.29907 12 4ZZ 0.00655 0.07464 -0.14925 0.05707 0.28453 13 4XY -0.12874 -0.00970 -0.07250 -0.12457 0.02121 14 4XZ 0.08769 -0.09325 -0.23352 -0.06515 -0.17952 15 4YZ -0.01911 -0.02425 0.11115 0.25486 -0.18332 16 2 C 1S -0.01270 -0.01707 0.00851 0.00490 0.00219 17 2S -0.42806 -0.28660 -0.04397 0.16435 0.30798 18 2PX -0.00514 -0.12707 0.12069 0.04872 0.03453 19 2PY -0.05046 0.03769 -0.09397 0.20063 0.19550 20 2PZ -0.08720 0.01758 -0.04842 0.05644 -0.01699 21 3S 1.12180 1.19323 -0.52589 -0.20889 -0.08211 22 3PX 0.04207 0.26051 -0.27745 -0.15633 -0.01689 23 3PY 0.20562 -0.00102 0.39444 -0.09571 -0.43751 24 3PZ 0.30235 0.17943 0.07148 0.09181 -0.23686 25 4XX 0.08609 0.08395 -0.09490 0.33041 0.02754 26 4YY -0.08010 0.05178 0.18170 -0.35616 -0.29907 27 4ZZ -0.00655 -0.07464 -0.14925 0.05707 0.28453 28 4XY -0.12876 -0.00971 0.07250 0.12457 -0.02121 29 4XZ -0.08767 0.09326 -0.23352 -0.06515 -0.17952 30 4YZ -0.01909 -0.02424 -0.11115 -0.25486 0.18332 31 3 C 1S 0.02152 0.02662 -0.01445 -0.00220 -0.00018 32 2S 0.23851 0.16775 -0.71187 0.00377 -0.31324 33 2PX -0.03040 0.00146 -0.05448 -0.04533 0.01653 34 2PY 0.04198 -0.00719 -0.15615 -0.01470 -0.08954 35 2PZ -0.06274 -0.13300 0.08257 0.04340 -0.02915 36 3S -0.68773 -0.79023 1.44899 -0.11512 0.58226 37 3PX 0.14368 0.12908 0.01418 0.00470 0.12283 38 3PY 0.17937 -0.01272 0.63483 -0.17946 0.64205 39 3PZ 0.21777 0.48555 -0.12690 -0.17841 0.01634 40 4XX -0.01855 -0.16021 0.02139 -0.03457 0.00192 41 4YY -0.19457 -0.07948 -0.15617 0.05917 -0.07030 42 4ZZ 0.19245 0.24202 0.14198 -0.05457 0.11657 43 4XY -0.03996 0.02361 0.10287 -0.07686 -0.00360 44 4XZ -0.01610 -0.02142 -0.03515 -0.07351 0.00911 45 4YZ 0.13702 0.27092 -0.05089 -0.06654 -0.00923 46 4 C 1S -0.00022 -0.00209 0.01314 -0.00286 0.01246 47 2S 0.16101 0.21513 0.04721 -0.06070 0.08250 48 2PX -0.04444 -0.07406 0.00715 0.02302 -0.00570 49 2PY 0.09798 0.07816 0.11697 0.01891 0.06557 50 2PZ 0.04520 0.07261 0.05053 0.02862 0.03877 51 3S -0.33692 -0.17429 -0.65701 0.06174 -0.45306 52 3PX -0.01700 -0.05734 0.13783 -0.11175 0.18109 53 3PY -0.36126 -0.36636 -0.05218 0.05183 -0.10214 54 3PZ -0.00090 0.00088 -0.09377 0.08026 -0.20298 55 4XX -0.05137 -0.02340 0.08292 0.06096 0.03494 56 4YY 0.05677 0.07707 -0.10639 -0.08426 -0.02090 57 4ZZ -0.00904 -0.04691 0.05053 0.04564 0.01066 58 4XY 0.10535 0.12013 0.24312 0.02803 0.08032 59 4XZ 0.09905 0.08201 0.08646 -0.00278 0.14103 60 4YZ -0.01825 0.05054 -0.32314 -0.08073 -0.12346 61 5 C 1S 0.00022 0.00209 0.01314 -0.00286 0.01246 62 2S -0.16101 -0.21513 0.04721 -0.06070 0.08251 63 2PX 0.04443 0.07406 0.00715 0.02302 -0.00570 64 2PY 0.09797 0.07816 -0.11697 -0.01891 -0.06557 65 2PZ -0.04520 -0.07261 0.05053 0.02862 0.03877 66 3S 0.33690 0.17429 -0.65702 0.06174 -0.45307 67 3PX 0.01699 0.05733 0.13784 -0.11176 0.18109 68 3PY -0.36126 -0.36636 0.05218 -0.05183 0.10214 69 3PZ 0.00091 -0.00088 -0.09378 0.08027 -0.20298 70 4XX 0.05139 0.02341 0.08292 0.06096 0.03494 71 4YY -0.05678 -0.07707 -0.10639 -0.08426 -0.02090 72 4ZZ 0.00904 0.04690 0.05053 0.04564 0.01066 73 4XY 0.10532 0.12012 -0.24311 -0.02803 -0.08032 74 4XZ -0.09906 -0.08201 0.08646 -0.00278 0.14103 75 4YZ -0.01823 0.05055 0.32314 0.08073 0.12346 76 6 C 1S -0.02152 -0.02662 -0.01445 -0.00220 -0.00018 77 2S -0.23853 -0.16776 -0.71187 0.00377 -0.31324 78 2PX 0.03039 -0.00147 -0.05448 -0.04533 0.01653 79 2PY 0.04199 -0.00719 0.15615 0.01470 0.08954 80 2PZ 0.06275 0.13300 0.08257 0.04340 -0.02915 81 3S 0.68771 0.79022 1.44900 -0.11512 0.58227 82 3PX -0.14365 -0.12907 0.01418 0.00469 0.12283 83 3PY 0.17935 -0.01272 -0.63484 0.17946 -0.64205 84 3PZ -0.21779 -0.48555 -0.12690 -0.17841 0.01634 85 4XX 0.01855 0.16021 0.02139 -0.03457 0.00192 86 4YY 0.19458 0.07948 -0.15617 0.05917 -0.07030 87 4ZZ -0.19245 -0.24202 0.14198 -0.05457 0.11658 88 4XY -0.03996 0.02360 -0.10287 0.07686 0.00360 89 4XZ 0.01608 0.02141 -0.03515 -0.07351 0.00911 90 4YZ 0.13702 0.27092 0.05089 0.06655 0.00923 91 7 H 1S 0.09304 0.07900 0.16515 0.28141 -0.27922 92 2S -0.05242 0.06895 0.21031 -0.03562 -0.09288 93 8 H 1S 0.09412 0.06125 0.30270 0.06090 0.13016 94 2S -0.06000 -0.04620 -0.07924 0.02747 -0.10677 95 9 H 1S -0.09410 -0.06125 0.30270 0.06090 0.13016 96 2S 0.06001 0.04621 -0.07924 0.02747 -0.10677 97 10 H 1S -0.26409 -0.12281 0.07287 -0.05720 0.14410 98 2S -0.08712 -0.06586 0.06728 -0.07661 0.16277 99 11 H 1S 0.26409 0.12281 0.07287 -0.05720 0.14410 100 2S 0.08713 0.06586 0.06728 -0.07661 0.16277 101 12 H 1S -0.09307 -0.07901 0.16515 0.28141 -0.27921 102 2S 0.05240 -0.06896 0.21031 -0.03562 -0.09287 103 13 C 1S -0.01738 -0.02162 0.01875 -0.00580 0.00655 104 2S 0.02824 0.18005 0.10124 -0.02109 -0.13079 105 2PX 0.01996 0.00649 -0.00917 0.03792 -0.01753 106 2PY 0.03318 0.02672 -0.06326 0.02088 -0.02120 107 2PZ -0.08089 -0.14839 0.05698 -0.00182 0.07399 108 3S 0.33154 0.10394 -0.61346 0.16371 -0.07784 109 3PX 0.11927 0.39752 -0.03436 0.06076 -0.12355 110 3PY -0.28540 -0.08551 0.01302 -0.01490 0.08630 111 3PZ 0.16284 0.40481 0.17287 -0.07525 0.00405 112 4XX -0.01580 0.06768 -0.03373 0.02145 -0.05619 113 4YY 0.04711 0.07079 -0.00797 -0.03808 0.05073 114 4ZZ -0.03832 -0.17029 0.06967 0.01607 0.03152 115 4XY -0.17636 -0.22085 0.05200 0.10333 -0.03686 116 4XZ 0.08624 0.20898 -0.01149 0.03185 -0.00564 117 4YZ 0.08534 -0.00744 -0.10392 0.04283 -0.13133 118 14 H 1S -0.08072 -0.17157 0.05727 -0.08966 0.07369 119 2S -0.01710 -0.12348 0.03640 0.02509 0.02163 120 15 H 1S -0.00184 0.01246 0.10616 0.03091 0.01865 121 2S -0.01459 0.11397 0.02943 0.04779 -0.10352 122 16 C 1S 0.01738 0.02162 0.01875 -0.00580 0.00655 123 2S -0.02825 -0.18005 0.10124 -0.02110 -0.13079 124 2PX -0.01995 -0.00649 -0.00917 0.03792 -0.01753 125 2PY 0.03318 0.02672 0.06326 -0.02088 0.02120 126 2PZ 0.08090 0.14839 0.05698 -0.00182 0.07399 127 3S -0.33150 -0.10393 -0.61346 0.16371 -0.07783 128 3PX -0.11929 -0.39752 -0.03436 0.06075 -0.12355 129 3PY -0.28542 -0.08552 -0.01302 0.01490 -0.08630 130 3PZ -0.16286 -0.40482 0.17287 -0.07525 0.00405 131 4XX 0.01581 -0.06768 -0.03373 0.02145 -0.05619 132 4YY -0.04713 -0.07080 -0.00797 -0.03808 0.05073 133 4ZZ 0.03833 0.17029 0.06967 0.01607 0.03152 134 4XY -0.17636 -0.22085 -0.05200 -0.10333 0.03686 135 4XZ -0.08623 -0.20898 -0.01148 0.03185 -0.00564 136 4YZ 0.08535 -0.00744 0.10392 -0.04283 0.13133 137 17 H 1S 0.00183 -0.01246 0.10616 0.03091 0.01865 138 2S 0.01459 -0.11397 0.02943 0.04779 -0.10352 139 18 H 1S 0.08071 0.17157 0.05727 -0.08966 0.07369 140 2S 0.01711 0.12348 0.03639 0.02509 0.02163 141 19 O 1S 0.00967 -0.01964 -0.00312 0.02233 0.00280 142 2S -0.28438 -0.07873 -0.39979 0.05203 0.17499 143 2PX 0.12371 -0.16455 -0.06295 -0.24735 -0.05501 144 2PY 0.17032 -0.14222 0.06941 -0.00234 -0.03522 145 2PZ -0.14446 0.08524 0.01799 0.08259 0.12266 146 3S 0.48777 0.49581 0.83479 -0.45879 -0.38138 147 3PX -0.02893 0.37052 0.07087 0.42598 0.07650 148 3PY -0.19670 0.08126 -0.17942 0.20347 0.08813 149 3PZ 0.14723 -0.14911 0.01029 -0.01438 -0.29287 150 4XX -0.05582 0.08360 0.01646 -0.09494 0.10449 151 4YY 0.00119 -0.19254 -0.13297 -0.01319 0.09057 152 4ZZ -0.04089 0.03249 -0.04837 0.18375 -0.14723 153 4XY 0.19309 -0.03293 0.06281 -0.26866 0.02641 154 4XZ -0.04393 0.11254 -0.08639 -0.02844 0.01765 155 4YZ -0.15085 0.08939 -0.06443 -0.06545 0.22762 156 20 O 1S -0.00967 0.01964 -0.00312 0.02233 0.00280 157 2S 0.28441 0.07874 -0.39979 0.05204 0.17499 158 2PX -0.12370 0.16455 -0.06295 -0.24735 -0.05501 159 2PY 0.17033 -0.14221 -0.06941 0.00234 0.03523 160 2PZ 0.14445 -0.08525 0.01799 0.08259 0.12266 161 3S -0.48780 -0.49583 0.83479 -0.45879 -0.38138 162 3PX 0.02893 -0.37052 0.07087 0.42599 0.07650 163 3PY -0.19670 0.08126 0.17942 -0.20347 -0.08814 164 3PZ -0.14720 0.14912 0.01029 -0.01438 -0.29287 165 4XX 0.05581 -0.08360 0.01646 -0.09494 0.10449 166 4YY -0.00118 0.19255 -0.13297 -0.01319 0.09057 167 4ZZ 0.04089 -0.03249 -0.04837 0.18375 -0.14723 168 4XY 0.19311 -0.03292 -0.06281 0.26866 -0.02641 169 4XZ 0.04396 -0.11253 -0.08639 -0.02844 0.01765 170 4YZ -0.15084 0.08939 0.06443 0.06545 -0.22762 171 21 C 1S 0.00000 0.00000 0.03157 -0.02233 -0.03146 172 2S 0.00000 0.00000 0.08923 0.02850 -0.02683 173 2PX 0.00000 0.00000 -0.09475 0.04578 0.12529 174 2PY -0.30015 0.16813 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.03836 -0.15600 -0.01717 176 3S 0.00003 0.00001 -0.97410 0.81998 0.86546 177 3PX -0.00002 -0.00001 -0.03291 -0.54393 0.39744 178 3PY 0.17211 -0.13388 0.00000 0.00000 0.00000 179 3PZ -0.00002 -0.00001 0.15088 -0.47386 0.46260 180 4XX 0.00001 0.00000 -0.04316 0.31201 -0.24921 181 4YY -0.00002 -0.00001 0.15815 -0.06823 -0.06613 182 4ZZ 0.00000 0.00000 -0.12921 -0.19956 0.34030 183 4XY 0.40397 -0.30903 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 -0.11033 0.11712 0.35828 185 4YZ -0.42256 0.28626 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.21946 0.19808 -0.60080 187 2S 0.00001 0.00000 0.00904 0.03184 -0.13671 188 23 H 1S -0.00002 -0.00001 0.16958 -0.50493 0.10638 189 2S -0.00001 0.00000 0.13290 -0.24574 0.04505 146 147 148 149 150 V V V V V Eigenvalues -- 2.08886 2.12026 2.14078 2.16026 2.23003 1 1 C 1S 0.00262 0.00051 -0.00365 0.02931 0.00930 2 2S 0.02984 0.33160 -0.22631 0.49977 0.01267 3 2PX 0.07173 0.14985 -0.01856 -0.01350 0.02870 4 2PY 0.00547 -0.00770 0.11524 -0.20759 0.07005 5 2PZ -0.04591 0.02240 -0.03355 0.07234 -0.00157 6 3S -0.18277 -1.23122 0.07075 -0.52697 -0.67567 7 3PX -0.23748 -0.15676 -0.08253 0.35600 0.19398 8 3PY -0.15432 0.12857 -0.30626 0.47255 0.42289 9 3PZ 0.20146 -0.63320 0.20096 -0.41028 -0.26973 10 4XX 0.01381 -0.06107 -0.04962 -0.15240 0.09886 11 4YY -0.04340 0.01532 0.10283 -0.22314 -0.06331 12 4ZZ 0.02226 -0.09780 -0.03577 0.42249 -0.03403 13 4XY -0.05166 -0.05829 -0.05415 0.03084 -0.19515 14 4XZ -0.02480 -0.41792 -0.01178 0.16811 0.07779 15 4YZ 0.04540 -0.00705 0.01940 -0.00846 -0.34120 16 2 C 1S 0.00262 -0.00051 -0.00365 0.02931 -0.00930 17 2S 0.02984 -0.33160 -0.22631 0.49977 -0.01267 18 2PX 0.07173 -0.14985 -0.01856 -0.01350 -0.02870 19 2PY -0.00547 -0.00770 -0.11524 0.20759 0.07005 20 2PZ -0.04591 -0.02239 -0.03355 0.07234 0.00157 21 3S -0.18276 1.23123 0.07076 -0.52696 0.67568 22 3PX -0.23747 0.15677 -0.08253 0.35600 -0.19398 23 3PY 0.15432 0.12856 0.30626 -0.47255 0.42289 24 3PZ 0.20146 0.63319 0.20096 -0.41028 0.26973 25 4XX 0.01381 0.06107 -0.04962 -0.15240 -0.09886 26 4YY -0.04340 -0.01532 0.10283 -0.22314 0.06331 27 4ZZ 0.02226 0.09780 -0.03577 0.42249 0.03403 28 4XY 0.05166 -0.05829 0.05415 -0.03084 -0.19515 29 4XZ -0.02480 0.41793 -0.01177 0.16811 -0.07779 30 4YZ -0.04540 -0.00705 -0.01940 0.00846 -0.34120 31 3 C 1S -0.00632 0.00567 0.00624 0.00598 -0.00035 32 2S -0.02720 0.18577 -0.02857 -0.13023 0.16865 33 2PX -0.11306 -0.10393 0.02679 0.00505 0.01183 34 2PY 0.01544 -0.04340 -0.03286 -0.07835 0.03844 35 2PZ 0.21730 0.01083 -0.02865 -0.00456 0.02013 36 3S -0.13379 -0.69405 -0.20479 -0.00789 -0.26125 37 3PX -0.16409 0.42059 -0.44393 -0.05102 -0.04371 38 3PY -0.18491 -0.14822 -0.35719 0.25456 -0.29812 39 3PZ -0.09378 0.06952 -0.07532 -0.06412 -0.18475 40 4XX 0.19727 -0.22895 -0.08149 0.02954 -0.14366 41 4YY -0.02399 0.09726 0.17620 0.06556 0.14393 42 4ZZ -0.20312 0.06135 -0.12690 -0.07142 -0.00857 43 4XY -0.04168 0.27309 -0.16235 -0.11496 -0.06967 44 4XZ -0.10191 -0.19415 -0.08340 -0.06171 0.02307 45 4YZ -0.09039 -0.06867 -0.09299 -0.05965 -0.00265 46 4 C 1S -0.02420 -0.00766 -0.00693 0.00308 0.00494 47 2S -0.50742 -0.37207 0.10834 0.03805 -0.03633 48 2PX 0.05222 0.14153 -0.00790 -0.00352 -0.00803 49 2PY -0.16455 -0.05262 0.06221 0.02741 -0.07309 50 2PZ -0.06289 -0.11547 0.02160 0.00763 0.03312 51 3S 0.61341 0.94784 0.34963 -0.08855 0.28831 52 3PX -0.36115 -0.37271 -0.04503 0.05140 0.09221 53 3PY 0.22675 0.32660 -0.19191 -0.08906 0.22258 54 3PZ 0.36949 0.32227 0.14567 0.00145 0.13513 55 4XX -0.07828 -0.04206 -0.05223 -0.01339 -0.09928 56 4YY 0.24063 -0.11405 -0.18220 -0.03661 -0.03312 57 4ZZ -0.22856 0.11390 0.25478 0.06669 0.18353 58 4XY 0.17199 0.08371 -0.04904 0.05176 0.09607 59 4XZ -0.21395 -0.18801 -0.15472 -0.01367 0.06059 60 4YZ -0.07715 0.08036 -0.00164 -0.06110 0.18849 61 5 C 1S -0.02420 0.00766 -0.00693 0.00308 -0.00494 62 2S -0.50742 0.37207 0.10835 0.03805 0.03633 63 2PX 0.05222 -0.14153 -0.00791 -0.00351 0.00803 64 2PY 0.16455 -0.05262 -0.06221 -0.02741 -0.07309 65 2PZ -0.06289 0.11547 0.02160 0.00763 -0.03312 66 3S 0.61340 -0.94785 0.34961 -0.08856 -0.28831 67 3PX -0.36114 0.37271 -0.04502 0.05140 -0.09221 68 3PY -0.22674 0.32659 0.19192 0.08906 0.22258 69 3PZ 0.36949 -0.32228 0.14566 0.00144 -0.13513 70 4XX -0.07828 0.04206 -0.05223 -0.01339 0.09928 71 4YY 0.24063 0.11405 -0.18220 -0.03661 0.03312 72 4ZZ -0.22856 -0.11391 0.25477 0.06669 -0.18353 73 4XY -0.17199 0.08371 0.04904 -0.05176 0.09607 74 4XZ -0.21395 0.18801 -0.15472 -0.01367 -0.06059 75 4YZ 0.07715 0.08036 0.00164 0.06109 0.18849 76 6 C 1S -0.00632 -0.00567 0.00624 0.00598 0.00035 77 2S -0.02721 -0.18577 -0.02857 -0.13023 -0.16864 78 2PX -0.11306 0.10393 0.02679 0.00505 -0.01183 79 2PY -0.01544 -0.04340 0.03286 0.07835 0.03844 80 2PZ 0.21730 -0.01083 -0.02865 -0.00456 -0.02013 81 3S -0.13378 0.69405 -0.20479 -0.00788 0.26124 82 3PX -0.16409 -0.42058 -0.44394 -0.05102 0.04371 83 3PY 0.18491 -0.14823 0.35719 -0.25457 -0.29812 84 3PZ -0.09379 -0.06951 -0.07532 -0.06412 0.18475 85 4XX 0.19727 0.22895 -0.08149 0.02954 0.14367 86 4YY -0.02399 -0.09727 0.17619 0.06556 -0.14393 87 4ZZ -0.20312 -0.06135 -0.12690 -0.07142 0.00857 88 4XY 0.04168 0.27309 0.16236 0.11496 -0.06967 89 4XZ -0.10191 0.19415 -0.08340 -0.06171 -0.02307 90 4YZ 0.09040 -0.06867 0.09299 0.05965 -0.00265 91 7 H 1S 0.09731 -0.04055 0.07771 -0.13493 -0.14470 92 2S 0.15447 -0.04283 0.09069 -0.18536 -0.08835 93 8 H 1S 0.09188 -0.09758 -0.14130 0.02354 -0.04704 94 2S 0.12207 0.14747 0.03593 -0.01551 0.05374 95 9 H 1S 0.09188 0.09758 -0.14129 0.02354 0.04704 96 2S 0.12207 -0.14747 0.03593 -0.01551 -0.05374 97 10 H 1S 0.01149 0.04461 -0.16794 0.02348 0.12648 98 2S -0.10638 -0.06179 -0.15002 0.08994 0.03816 99 11 H 1S 0.01149 -0.04461 -0.16794 0.02348 -0.12648 100 2S -0.10638 0.06180 -0.15002 0.08994 -0.03816 101 12 H 1S 0.09731 0.04054 0.07772 -0.13493 0.14470 102 2S 0.15447 0.04283 0.09069 -0.18536 0.08835 103 13 C 1S -0.00785 -0.01015 -0.01557 -0.01196 0.00441 104 2S 0.42786 -0.26070 0.19502 -0.04758 0.11224 105 2PX 0.01450 -0.00898 0.02611 0.02388 -0.03448 106 2PY -0.12058 0.03424 -0.08259 -0.03282 -0.02765 107 2PZ -0.09790 0.05366 -0.09489 0.00050 -0.00941 108 3S -0.16566 0.44303 0.12707 0.24007 -0.51147 109 3PX -0.06183 0.09170 0.57246 0.00604 0.04622 110 3PY 0.21711 -0.15920 0.09748 0.15011 0.11233 111 3PZ 0.33240 -0.00001 0.17786 0.01133 0.03807 112 4XX 0.41135 0.14027 -0.15270 0.01600 -0.12102 113 4YY -0.21647 -0.07214 -0.17046 -0.06510 0.01466 114 4ZZ -0.24204 -0.03005 0.24560 0.02936 0.07157 115 4XY -0.00409 0.13827 0.42664 0.10137 -0.10141 116 4XZ -0.03474 -0.05561 0.17126 0.01730 -0.12109 117 4YZ 0.15244 0.13875 0.07732 -0.04740 -0.00654 118 14 H 1S -0.10271 -0.12164 -0.36382 -0.08067 0.12621 119 2S -0.02390 0.01779 -0.17085 -0.01624 -0.05190 120 15 H 1S -0.21117 -0.04518 0.40566 0.05337 0.05600 121 2S -0.06036 -0.05248 -0.02628 -0.15332 0.00817 122 16 C 1S -0.00785 0.01015 -0.01557 -0.01196 -0.00441 123 2S 0.42786 0.26069 0.19503 -0.04758 -0.11224 124 2PX 0.01450 0.00898 0.02611 0.02388 0.03448 125 2PY 0.12058 0.03424 0.08259 0.03281 -0.02765 126 2PZ -0.09790 -0.05366 -0.09489 0.00050 0.00941 127 3S -0.16567 -0.44303 0.12705 0.24008 0.51147 128 3PX -0.06183 -0.09172 0.57245 0.00604 -0.04622 129 3PY -0.21712 -0.15919 -0.09748 -0.15011 0.11233 130 3PZ 0.33240 0.00000 0.17786 0.01133 -0.03807 131 4XX 0.41135 -0.14027 -0.15270 0.01600 0.12102 132 4YY -0.21647 0.07214 -0.17045 -0.06510 -0.01466 133 4ZZ -0.24204 0.03005 0.24560 0.02936 -0.07157 134 4XY 0.00409 0.13829 -0.42664 -0.10137 -0.10141 135 4XZ -0.03475 0.05561 0.17126 0.01730 0.12109 136 4YZ -0.15244 0.13875 -0.07732 0.04740 -0.00654 137 17 H 1S -0.21117 0.04517 0.40567 0.05337 -0.05600 138 2S -0.06036 0.05248 -0.02628 -0.15332 -0.00817 139 18 H 1S -0.10271 0.12165 -0.36382 -0.08067 -0.12621 140 2S -0.02390 -0.01779 -0.17085 -0.01624 0.05190 141 19 O 1S 0.00837 0.00358 0.00123 0.01024 -0.00640 142 2S 0.02686 -0.40713 0.09695 -0.16464 -0.09708 143 2PX -0.02093 -0.12342 0.01875 0.10020 -0.04279 144 2PY -0.00415 0.11666 -0.03722 0.13021 0.01718 145 2PZ 0.04371 0.05938 0.05896 -0.07381 -0.06378 146 3S -0.25897 0.82559 -0.30436 0.11211 0.36432 147 3PX -0.03704 0.33802 -0.15674 0.05177 0.24596 148 3PY 0.11329 -0.20439 0.14588 -0.09995 -0.13453 149 3PZ -0.12547 -0.09415 -0.17312 -0.12465 0.17440 150 4XX 0.13457 -0.00343 0.09066 -0.21692 -0.11214 151 4YY 0.02506 -0.08768 0.06098 0.01718 -0.00470 152 4ZZ -0.12140 -0.04405 -0.11895 0.19818 0.08569 153 4XY 0.09775 0.02203 0.15986 0.00482 -0.29768 154 4XZ -0.04802 -0.06938 -0.03870 -0.05660 0.05801 155 4YZ 0.09317 -0.01358 0.10204 -0.01175 -0.24751 156 20 O 1S 0.00837 -0.00358 0.00123 0.01024 0.00640 157 2S 0.02686 0.40713 0.09696 -0.16464 0.09708 158 2PX -0.02093 0.12342 0.01876 0.10020 0.04279 159 2PY 0.00415 0.11666 0.03723 -0.13021 0.01718 160 2PZ 0.04371 -0.05939 0.05896 -0.07381 0.06378 161 3S -0.25898 -0.82559 -0.30437 0.11211 -0.36432 162 3PX -0.03705 -0.33802 -0.15675 0.05177 -0.24597 163 3PY -0.11329 -0.20438 -0.14588 0.09995 -0.13453 164 3PZ -0.12547 0.09416 -0.17312 -0.12465 -0.17440 165 4XX 0.13457 0.00343 0.09066 -0.21692 0.11214 166 4YY 0.02506 0.08768 0.06098 0.01718 0.00470 167 4ZZ -0.12140 0.04406 -0.11895 0.19818 -0.08569 168 4XY -0.09775 0.02204 -0.15986 -0.00482 -0.29768 169 4XZ -0.04802 0.06938 -0.03870 -0.05660 -0.05801 170 4YZ -0.09317 -0.01358 -0.10204 0.01175 -0.24751 171 21 C 1S 0.00183 0.00000 0.00350 -0.02379 0.00000 172 2S -0.06290 0.00000 -0.11976 -0.54500 0.00000 173 2PX -0.01967 0.00000 -0.08078 -0.08790 0.00000 174 2PY 0.00000 -0.09728 0.00000 0.00000 -0.02679 175 2PZ 0.00601 0.00000 0.03124 0.05956 0.00000 176 3S 0.19779 0.00000 0.19570 0.89068 0.00000 177 3PX 0.36895 -0.00001 0.56903 0.79258 0.00000 178 3PY 0.00000 0.07220 0.00000 0.00000 -0.03449 179 3PZ 0.29252 -0.00001 0.40613 -0.46934 0.00000 180 4XX -0.07064 0.00000 -0.01312 -0.36946 0.00000 181 4YY 0.05372 0.00000 -0.04606 0.32829 0.00000 182 4ZZ 0.04953 0.00000 0.10233 0.04526 0.00000 183 4XY 0.00000 0.05166 0.00000 0.00000 -0.49483 184 4XZ 0.07205 0.00000 0.17830 -0.59133 0.00000 185 4YZ 0.00000 -0.11383 0.00000 0.00000 -0.43081 186 22 H 1S -0.18733 0.00000 -0.31819 0.05194 0.00000 187 2S -0.11877 0.00000 -0.06778 0.04154 0.00000 188 23 H 1S 0.11021 0.00000 0.08833 0.37319 0.00000 189 2S 0.14949 0.00000 0.26591 0.05096 0.00000 151 152 153 154 155 V V V V V Eigenvalues -- 2.25489 2.26209 2.27979 2.29194 2.30952 1 1 C 1S -0.00918 -0.00585 0.01446 -0.00437 -0.03589 2 2S -0.06301 -0.06668 0.41263 -0.33275 -0.81777 3 2PX 0.03253 -0.02039 -0.01623 0.05087 0.11574 4 2PY -0.01059 0.02198 -0.15946 -0.00249 -0.05838 5 2PZ -0.00222 0.04093 0.03543 -0.10885 -0.22817 6 3S 0.24826 0.57960 -0.42747 0.88557 3.33584 7 3PX -0.02468 0.12356 0.08101 -0.32876 -0.96775 8 3PY 0.10521 -0.24298 0.23418 -0.65604 -1.54102 9 3PZ 0.16633 0.03301 -0.40213 0.37847 1.83928 10 4XX -0.08641 0.02561 0.32994 0.17202 0.14959 11 4YY -0.02602 -0.01451 -0.20866 -0.01937 0.02520 12 4ZZ 0.10207 0.01316 -0.14989 -0.10850 -0.07803 13 4XY 0.03450 -0.03339 -0.04773 -0.01954 0.00102 14 4XZ 0.00388 0.14637 0.16193 -0.20577 -0.20419 15 4YZ 0.08983 -0.07203 -0.14658 -0.02113 0.06554 16 2 C 1S -0.00918 0.00585 0.01446 0.00437 0.03589 17 2S -0.06302 0.06667 0.41263 0.33275 0.81777 18 2PX 0.03253 0.02040 -0.01623 -0.05087 -0.11574 19 2PY 0.01059 0.02198 0.15946 -0.00248 -0.05838 20 2PZ -0.00222 -0.04093 0.03542 0.10885 0.22817 21 3S 0.24835 -0.57955 -0.42746 -0.88557 -3.33584 22 3PX -0.02467 -0.12357 0.08100 0.32876 0.96775 23 3PY -0.10517 -0.24299 -0.23417 -0.65604 -1.54102 24 3PZ 0.16635 -0.03298 -0.40212 -0.37847 -1.83928 25 4XX -0.08641 -0.02563 0.32995 -0.17201 -0.14959 26 4YY -0.02602 0.01451 -0.20866 0.01937 -0.02520 27 4ZZ 0.10207 -0.01314 -0.14989 0.10850 0.07803 28 4XY -0.03449 -0.03340 0.04772 -0.01954 0.00102 29 4XZ 0.00390 -0.14638 0.16192 0.20577 0.20419 30 4YZ -0.08982 -0.07204 0.14657 -0.02112 0.06554 31 3 C 1S 0.00562 -0.02998 -0.00758 0.00583 -0.01778 32 2S 0.15854 -0.63318 -0.02543 0.15015 -0.21069 33 2PX -0.02933 0.06870 -0.00082 -0.06029 0.14277 34 2PY 0.01443 -0.11307 0.00627 -0.00783 0.01615 35 2PZ 0.04412 -0.04544 -0.00842 0.01431 -0.14964 36 3S -0.43840 2.75352 0.11625 -1.10792 1.61093 37 3PX 0.19217 0.53742 -0.00328 0.18783 -0.05102 38 3PY 0.15345 1.82857 0.18207 -0.50940 0.87274 39 3PZ 0.23937 0.43055 -0.01497 0.01474 0.25106 40 4XX 0.18988 0.06256 -0.12193 0.13263 -0.09678 41 4YY -0.33463 -0.21238 -0.07723 -0.03791 0.09349 42 4ZZ 0.11968 0.24599 0.19511 -0.14501 0.08897 43 4XY 0.27575 0.29451 0.03627 0.05675 -0.13900 44 4XZ 0.10737 0.20826 0.09804 -0.04935 0.20248 45 4YZ 0.11967 0.14944 -0.08311 0.22444 0.12065 46 4 C 1S -0.00533 0.02236 0.00026 -0.01261 0.02775 47 2S -0.29623 0.28891 -0.03832 -0.17028 0.54345 48 2PX 0.06240 0.02098 0.01865 -0.03327 -0.11278 49 2PY -0.06910 -0.02385 -0.03763 0.04661 -0.05133 50 2PZ -0.07949 0.02827 0.01423 -0.04476 0.11654 51 3S 0.32366 -3.01783 -0.05364 1.29156 -2.45229 52 3PX -0.23280 0.87835 0.07232 -0.80784 1.07189 53 3PY 0.03573 -1.00973 0.01015 0.62417 -0.85872 54 3PZ 0.03739 -1.37552 -0.03890 0.43994 -0.91911 55 4XX 0.14072 0.20842 -0.13532 0.32775 -0.16242 56 4YY 0.15652 -0.06696 0.10499 0.06422 0.03670 57 4ZZ -0.28938 -0.20382 0.00930 -0.34037 0.12953 58 4XY 0.02785 0.01955 -0.03279 -0.34216 0.02175 59 4XZ -0.10430 0.02000 0.02588 -0.00220 0.17981 60 4YZ 0.08146 0.06015 -0.05714 -0.30652 0.22914 61 5 C 1S -0.00533 -0.02236 0.00026 0.01261 -0.02775 62 2S -0.29618 -0.28895 -0.03833 0.17028 -0.54346 63 2PX 0.06240 -0.02097 0.01865 0.03327 0.11278 64 2PY 0.06910 -0.02384 0.03763 0.04661 -0.05132 65 2PZ -0.07949 -0.02828 0.01423 0.04477 -0.11654 66 3S 0.32322 3.01787 -0.05357 -1.29156 2.45229 67 3PX -0.23267 -0.87838 0.07230 0.80784 -1.07190 68 3PY -0.03558 -1.00973 -0.01017 0.62416 -0.85872 69 3PZ 0.03719 1.37553 -0.03887 -0.43994 0.91911 70 4XX 0.14075 -0.20840 -0.13532 -0.32775 0.16241 71 4YY 0.15651 0.06698 0.10499 -0.06422 -0.03669 72 4ZZ -0.28941 0.20377 0.00930 0.34037 -0.12952 73 4XY -0.02786 0.01955 0.03279 -0.34216 0.02175 74 4XZ -0.10430 -0.02001 0.02588 0.00220 -0.17981 75 4YZ -0.08148 0.06013 0.05714 -0.30652 0.22914 76 6 C 1S 0.00561 0.02998 -0.00757 -0.00583 0.01778 77 2S 0.15845 0.63320 -0.02542 -0.15015 0.21069 78 2PX -0.02932 -0.06870 -0.00083 0.06029 -0.14277 79 2PY -0.01442 -0.11307 -0.00627 -0.00783 0.01615 80 2PZ 0.04411 0.04544 -0.00842 -0.01431 0.14964 81 3S -0.43801 -2.75357 0.11619 1.10791 -1.61093 82 3PX 0.19225 -0.53738 -0.00329 -0.18784 0.05102 83 3PY -0.15371 1.82855 -0.18204 -0.50939 0.87274 84 3PZ 0.23943 -0.43052 -0.01498 -0.01474 -0.25107 85 4XX 0.18988 -0.06253 -0.12193 -0.13264 0.09677 86 4YY -0.33466 0.21233 -0.07723 0.03791 -0.09349 87 4ZZ 0.11971 -0.24598 0.19510 0.14501 -0.08896 88 4XY -0.27580 0.29447 -0.03626 0.05675 -0.13900 89 4XZ 0.10740 -0.20824 0.09804 0.04935 -0.20247 90 4YZ -0.11969 0.14942 0.08311 0.22445 0.12065 91 7 H 1S 0.00905 -0.01754 -0.00122 0.06393 0.22714 92 2S 0.01768 -0.05217 -0.15354 0.23154 0.60852 93 8 H 1S -0.03570 -0.08576 0.01514 0.16556 -0.11657 94 2S 0.05445 -0.44705 -0.03302 0.25780 -0.33548 95 9 H 1S -0.03571 0.08576 0.01514 -0.16556 0.11657 96 2S 0.05439 0.44706 -0.03301 -0.25780 0.33548 97 10 H 1S 0.24482 -0.21670 0.06780 0.00614 0.01338 98 2S 0.10024 -0.41305 0.06053 0.08706 -0.18106 99 11 H 1S 0.24479 0.21674 0.06780 -0.00614 -0.01338 100 2S 0.10019 0.41306 0.06054 -0.08706 0.18106 101 12 H 1S 0.00905 0.01754 -0.00122 -0.06393 -0.22714 102 2S 0.01768 0.05217 -0.15354 -0.23154 -0.60852 103 13 C 1S 0.00903 -0.04519 -0.00305 0.00479 0.00357 104 2S 0.01629 -0.23802 -0.13703 0.32459 0.38978 105 2PX 0.04402 0.02997 0.02820 -0.03933 -0.02856 106 2PY -0.02302 -0.00248 -0.01274 -0.05413 -0.02514 107 2PZ 0.00956 -0.12389 0.05877 -0.04396 -0.13824 108 3S -0.07866 2.46501 0.15418 -0.95135 -0.09686 109 3PX -0.00313 0.42826 -0.12918 0.40295 0.46799 110 3PY 0.03178 -0.59325 0.02645 0.00696 0.10942 111 3PZ 0.13607 -0.41313 -0.03958 0.34834 -0.10762 112 4XX -0.18279 0.12498 -0.03204 -0.22145 -0.14647 113 4YY 0.02478 0.09679 -0.04722 0.13078 0.09725 114 4ZZ 0.18484 -0.22744 0.11103 0.00536 -0.02673 115 4XY 0.12606 0.41853 -0.00475 -0.10470 0.03567 116 4XZ 0.45730 -0.18534 0.21518 0.01875 -0.21804 117 4YZ 0.10105 0.11228 0.04541 0.03129 0.12418 118 14 H 1S -0.26787 -0.19098 -0.11799 0.03176 0.08330 119 2S 0.02698 -0.06587 0.08280 -0.08532 -0.11633 120 15 H 1S 0.26117 -0.06705 0.06002 0.20441 0.07152 121 2S -0.12456 0.01781 -0.17066 0.13571 0.21279 122 16 C 1S 0.00903 0.04519 -0.00305 -0.00479 -0.00357 123 2S 0.01626 0.23802 -0.13702 -0.32459 -0.38978 124 2PX 0.04402 -0.02996 0.02820 0.03933 0.02856 125 2PY 0.02302 -0.00248 0.01274 -0.05413 -0.02514 126 2PZ 0.00954 0.12389 0.05877 0.04396 0.13824 127 3S -0.07832 -2.46502 0.15413 0.95136 0.09686 128 3PX -0.00307 -0.42825 -0.12918 -0.40295 -0.46800 129 3PY -0.03170 -0.59326 -0.02646 0.00696 0.10942 130 3PZ 0.13601 0.41315 -0.03957 -0.34835 0.10762 131 4XX -0.18277 -0.12500 -0.03205 0.22145 0.14647 132 4YY 0.02480 -0.09678 -0.04722 -0.13078 -0.09725 133 4ZZ 0.18481 0.22747 0.11104 -0.00536 0.02673 134 4XY -0.12611 0.41851 0.00476 -0.10470 0.03567 135 4XZ 0.45727 0.18540 0.21518 -0.01875 0.21805 136 4YZ -0.10107 0.11226 -0.04540 0.03129 0.12418 137 17 H 1S 0.26116 0.06709 0.06002 -0.20441 -0.07152 138 2S -0.12456 -0.01783 -0.17066 -0.13571 -0.21279 139 18 H 1S -0.26790 0.19095 -0.11799 -0.03176 -0.08330 140 2S 0.02697 0.06587 0.08280 0.08533 0.11633 141 19 O 1S 0.00067 -0.00383 0.01179 0.01386 0.02467 142 2S 0.02165 0.11108 -0.11443 -0.16135 0.08527 143 2PX -0.01405 0.03733 -0.00231 -0.11126 -0.07196 144 2PY -0.00741 -0.03277 0.05179 0.05840 0.06711 145 2PZ -0.00959 -0.02410 -0.05034 0.03610 0.09263 146 3S -0.11260 -0.14782 0.07778 -0.08805 -1.26605 147 3PX -0.04707 -0.03945 0.20894 0.15675 -0.32661 148 3PY -0.01695 0.08051 0.02027 0.01628 0.15817 149 3PZ 0.04906 0.03894 0.01852 0.01346 -0.02177 150 4XX -0.15630 -0.05813 0.44472 0.03003 0.07589 151 4YY 0.03049 0.00522 -0.04891 -0.04233 0.07280 152 4ZZ 0.13810 0.06469 -0.35877 0.02543 -0.06379 153 4XY -0.02981 -0.06680 0.09997 -0.11035 0.03989 154 4XZ -0.03572 0.02338 0.13989 -0.11876 -0.32506 155 4YZ 0.01267 -0.07510 0.01358 -0.13113 0.08705 156 20 O 1S 0.00067 0.00383 0.01179 -0.01386 -0.02467 157 2S 0.02166 -0.11107 -0.11443 0.16135 -0.08527 158 2PX -0.01404 -0.03733 -0.00231 0.11126 0.07196 159 2PY 0.00742 -0.03276 -0.05179 0.05840 0.06711 160 2PZ -0.00960 0.02410 -0.05034 -0.03610 -0.09263 161 3S -0.11263 0.14780 0.07778 0.08805 1.26605 162 3PX -0.04707 0.03944 0.20894 -0.15674 0.32661 163 3PY 0.01694 0.08051 -0.02027 0.01628 0.15817 164 3PZ 0.04907 -0.03894 0.01852 -0.01346 0.02177 165 4XX -0.15631 0.05810 0.44472 -0.03003 -0.07590 166 4YY 0.03050 -0.00521 -0.04891 0.04233 -0.07280 167 4ZZ 0.13811 -0.06467 -0.35877 -0.02544 0.06380 168 4XY 0.02982 -0.06680 -0.09997 -0.11035 0.03990 169 4XZ -0.03572 -0.02338 0.13989 0.11876 0.32506 170 4YZ -0.01266 -0.07510 -0.01359 -0.13113 0.08705 171 21 C 1S 0.00309 0.00000 -0.01733 0.00000 0.00000 172 2S 0.02666 0.00000 -0.22517 0.00000 0.00000 173 2PX -0.01467 0.00000 0.00262 0.00000 0.00000 174 2PY 0.00000 0.02985 0.00000 -0.02848 0.00318 175 2PZ 0.00716 0.00000 -0.00543 0.00000 0.00000 176 3S -0.14891 -0.00002 0.59227 0.00000 0.00000 177 3PX -0.09985 -0.00001 0.38669 0.00000 0.00000 178 3PY 0.00000 -0.00445 0.00000 0.05826 0.00048 179 3PZ -0.03642 0.00000 -0.23900 0.00000 0.00000 180 4XX -0.05884 -0.00001 0.22137 0.00000 0.00000 181 4YY -0.02504 0.00000 0.17267 0.00000 0.00000 182 4ZZ 0.08656 0.00001 -0.39398 0.00000 0.00000 183 4XY 0.00001 -0.12287 0.00000 -0.11998 0.17983 184 4XZ 0.07869 0.00001 -0.33316 0.00000 0.00000 185 4YZ 0.00001 -0.11200 0.00000 -0.20543 0.11475 186 22 H 1S -0.04284 -0.00001 0.21645 0.00000 0.00000 187 2S 0.10818 0.00001 -0.07879 0.00000 0.00000 188 23 H 1S -0.00459 0.00000 -0.01893 0.00000 0.00000 189 2S -0.02731 0.00000 0.07710 0.00000 0.00000 156 157 158 159 160 V V V V V Eigenvalues -- 2.31851 2.37118 2.40149 2.43436 2.44805 1 1 C 1S 0.00620 0.02959 0.01475 0.03478 0.00267 2 2S 0.11055 0.67429 0.06291 0.35765 -0.06107 3 2PX 0.00149 -0.02427 0.06266 -0.00332 0.01816 4 2PY -0.04698 0.04964 0.03673 0.07580 -0.00736 5 2PZ -0.00425 0.14797 -0.03055 0.01444 -0.01502 6 3S -0.18618 -2.73220 -0.64437 -1.87080 -0.02026 7 3PX 0.07585 0.45859 -0.12457 -0.26813 0.16560 8 3PY 0.06598 1.25579 0.13896 0.59290 0.04477 9 3PZ -0.14881 -1.20158 -0.05265 -0.40908 0.02876 10 4XX 0.09621 -0.22706 -0.02332 0.08737 -0.28110 11 4YY -0.05329 -0.02311 -0.04604 -0.07937 0.03272 12 4ZZ -0.04812 0.14144 0.06407 -0.03169 0.27040 13 4XY -0.01201 -0.07950 -0.09017 -0.17191 0.04726 14 4XZ 0.07007 0.02413 -0.06027 -0.10260 -0.02006 15 4YZ -0.05564 -0.06448 -0.06185 -0.15495 -0.00580 16 2 C 1S 0.00620 -0.02959 -0.01475 -0.03478 0.00267 17 2S 0.11057 -0.67430 -0.06291 -0.35765 -0.06106 18 2PX 0.00149 0.02427 -0.06266 0.00332 0.01816 19 2PY 0.04698 0.04964 0.03673 0.07580 0.00736 20 2PZ -0.00425 -0.14797 0.03055 -0.01444 -0.01502 21 3S -0.18625 2.73221 0.64438 1.87080 -0.02026 22 3PX 0.07587 -0.45859 0.12457 0.26814 0.16559 23 3PY -0.06601 1.25579 0.13896 0.59290 -0.04477 24 3PZ -0.14885 1.20158 0.05265 0.40908 0.02876 25 4XX 0.09621 0.22706 0.02332 -0.08738 -0.28110 26 4YY -0.05329 0.02311 0.04604 0.07937 0.03272 27 4ZZ -0.04812 -0.14144 -0.06407 0.03170 0.27039 28 4XY 0.01201 -0.07950 -0.09017 -0.17191 -0.04726 29 4XZ 0.07008 -0.02413 0.06027 0.10260 -0.02006 30 4YZ 0.05564 -0.06448 -0.06185 -0.15495 0.00580 31 3 C 1S -0.01282 0.00980 -0.01349 0.05965 -0.02180 32 2S -0.11687 0.49786 0.39278 1.20422 -0.07037 33 2PX 0.04364 -0.06014 -0.08592 0.02537 -0.00566 34 2PY -0.03138 0.14152 0.11417 0.20247 0.02964 35 2PZ -0.01820 0.05723 0.20377 -0.13354 0.04832 36 3S 0.57052 -0.59581 -0.54901 -3.64698 0.74153 37 3PX 0.12489 0.09668 0.11148 0.00988 0.10961 38 3PY 0.33318 -0.76898 -0.42731 -1.91392 0.19145 39 3PZ 0.10556 0.00652 0.15163 -0.47522 0.09053 40 4XX 0.39084 -0.17616 0.12070 -0.05172 -0.24898 41 4YY -0.00085 0.20301 -0.13970 -0.05695 0.20939 42 4ZZ -0.38186 -0.08509 -0.12893 -0.08254 0.04086 43 4XY 0.03386 -0.06831 0.11109 0.02392 0.08474 44 4XZ -0.19124 -0.00723 -0.08937 0.23896 -0.05613 45 4YZ 0.31903 0.21504 0.07703 -0.14044 0.09794 46 4 C 1S 0.01658 -0.00560 -0.00279 0.03283 0.01143 47 2S 0.20372 -0.04860 -0.02205 0.20623 0.07333 48 2PX -0.04268 -0.07414 0.03295 -0.12600 -0.00413 49 2PY 0.14732 -0.04611 0.07467 -0.16080 -0.02587 50 2PZ -0.05282 0.04201 -0.00972 0.08323 0.00891 51 3S -0.48687 1.15389 0.53252 0.60656 -0.42843 52 3PX 0.10920 -0.29314 -0.32120 -0.39665 0.15397 53 3PY -0.08632 0.70976 0.16999 -0.16554 0.10118 54 3PZ -0.24527 0.28103 0.35991 0.42494 -0.10803 55 4XX 0.43986 0.02138 0.22365 0.14447 -0.07957 56 4YY -0.22128 0.03277 0.03922 -0.25333 0.08735 57 4ZZ -0.16267 0.02005 -0.27730 0.13155 -0.01171 58 4XY 0.06899 -0.17710 0.44809 -0.15889 0.02534 59 4XZ 0.12288 0.08314 0.11298 0.29246 0.14697 60 4YZ 0.15359 0.04228 0.19956 -0.12957 -0.06972 61 5 C 1S 0.01658 0.00560 0.00279 -0.03283 0.01143 62 2S 0.20372 0.04860 0.02204 -0.20624 0.07333 63 2PX -0.04268 0.07414 -0.03295 0.12600 -0.00413 64 2PY -0.14732 -0.04611 0.07467 -0.16081 0.02588 65 2PZ -0.05282 -0.04201 0.00972 -0.08323 0.00891 66 3S -0.48686 -1.15388 -0.53251 -0.60655 -0.42842 67 3PX 0.10919 0.29314 0.32120 0.39664 0.15396 68 3PY 0.08632 0.70976 0.16999 -0.16553 -0.10118 69 3PZ -0.24527 -0.28103 -0.35990 -0.42494 -0.10803 70 4XX 0.43986 -0.02138 -0.22365 -0.14447 -0.07957 71 4YY -0.22128 -0.03278 -0.03921 0.25332 0.08735 72 4ZZ -0.16266 -0.02005 0.27730 -0.13155 -0.01170 73 4XY -0.06899 -0.17710 0.44809 -0.15889 -0.02534 74 4XZ 0.12287 -0.08315 -0.11298 -0.29246 0.14698 75 4YZ -0.15359 0.04227 0.19956 -0.12957 0.06972 76 6 C 1S -0.01282 -0.00980 0.01349 -0.05964 -0.02179 77 2S -0.11687 -0.49786 -0.39277 -1.20422 -0.07036 78 2PX 0.04364 0.06014 0.08592 -0.02537 -0.00566 79 2PY 0.03138 0.14152 0.11417 0.20247 -0.02964 80 2PZ -0.01820 -0.05723 -0.20377 0.13354 0.04832 81 3S 0.57050 0.59580 0.54899 3.64694 0.74149 82 3PX 0.12489 -0.09668 -0.11148 -0.00988 0.10961 83 3PY -0.33317 -0.76898 -0.42730 -1.91391 -0.19143 84 3PZ 0.10555 -0.00652 -0.15163 0.47522 0.09053 85 4XX 0.39084 0.17617 -0.12070 0.05173 -0.24899 86 4YY -0.00086 -0.20301 0.13969 0.05694 0.20939 87 4ZZ -0.38186 0.08509 0.12893 0.08254 0.04086 88 4XY -0.03386 -0.06831 0.11109 0.02392 -0.08474 89 4XZ -0.19124 0.00723 0.08937 -0.23896 -0.05612 90 4YZ -0.31902 0.21504 0.07704 -0.14044 -0.09794 91 7 H 1S -0.01172 -0.15675 0.01273 0.00696 -0.11115 92 2S -0.03599 -0.40353 0.02553 -0.00622 0.03426 93 8 H 1S 0.02360 0.00502 0.18309 0.13577 0.10927 94 2S -0.04905 0.19342 0.09155 0.02042 -0.03244 95 9 H 1S 0.02360 -0.00502 -0.18309 -0.13577 0.10927 96 2S -0.04905 -0.19342 -0.09154 -0.02042 -0.03244 97 10 H 1S -0.02987 0.21469 -0.02755 0.01702 -0.15374 98 2S 0.11518 0.17110 0.11847 0.36955 0.05361 99 11 H 1S -0.02987 -0.21469 0.02755 -0.01702 -0.15374 100 2S 0.11518 -0.17110 -0.11847 -0.36956 0.05362 101 12 H 1S -0.01173 0.15675 -0.01273 -0.00697 -0.11115 102 2S -0.03600 0.40353 -0.02553 0.00622 0.03426 103 13 C 1S 0.00909 -0.03635 -0.01027 0.08726 0.01613 104 2S -0.14253 -0.30698 -0.04591 0.54261 0.09170 105 2PX -0.00444 0.07042 -0.01121 0.00272 -0.01811 106 2PY 0.05597 -0.08802 -0.06837 0.06173 -0.01320 107 2PZ 0.02264 0.08778 0.01357 0.13755 0.05308 108 3S -0.08277 0.74631 0.00635 -4.01386 -0.49779 109 3PX 0.06764 -0.12545 0.20003 -0.77260 -0.05934 110 3PY -0.01944 -0.46718 0.08425 0.99689 -0.07621 111 3PZ 0.13268 -0.51257 -0.12165 1.13521 0.18324 112 4XX 0.00194 -0.41691 -0.31112 0.37299 0.08891 113 4YY 0.18387 0.17459 0.12105 -0.21779 0.05166 114 4ZZ -0.13463 0.23397 0.15830 -0.14894 -0.13686 115 4XY 0.13972 0.32188 0.11032 0.11717 -0.03304 116 4XZ -0.02846 0.05829 -0.08444 -0.01644 0.14422 117 4YZ -0.06196 0.28830 -0.41412 -0.14913 0.03339 118 14 H 1S -0.00839 -0.12734 0.10388 0.23180 -0.01539 119 2S -0.08648 0.28069 -0.05995 0.08829 0.02033 120 15 H 1S 0.09810 0.23933 0.21535 0.05931 -0.02894 121 2S -0.04152 -0.08093 -0.02144 -0.20934 0.13103 122 16 C 1S 0.00909 0.03635 0.01027 -0.08726 0.01613 123 2S -0.14253 0.30698 0.04591 -0.54262 0.09170 124 2PX -0.00444 -0.07042 0.01121 -0.00272 -0.01811 125 2PY -0.05597 -0.08802 -0.06837 0.06173 0.01320 126 2PZ 0.02265 -0.08778 -0.01357 -0.13755 0.05308 127 3S -0.08277 -0.74631 -0.00634 4.01387 -0.49784 128 3PX 0.06762 0.12545 -0.20003 0.77260 -0.05934 129 3PY 0.01943 -0.46718 0.08425 0.99689 0.07620 130 3PZ 0.13269 0.51256 0.12164 -1.13522 0.18326 131 4XX 0.00195 0.41690 0.31112 -0.37299 0.08892 132 4YY 0.18386 -0.17459 -0.12105 0.21779 0.05165 133 4ZZ -0.13463 -0.23397 -0.15830 0.14894 -0.13686 134 4XY -0.13972 0.32188 0.11033 0.11717 0.03304 135 4XZ -0.02845 -0.05829 0.08444 0.01644 0.14422 136 4YZ 0.06196 0.28830 -0.41412 -0.14913 -0.03339 137 17 H 1S 0.09809 -0.23933 -0.21535 -0.05931 -0.02894 138 2S -0.04152 0.08093 0.02144 0.20934 0.13103 139 18 H 1S -0.00839 0.12734 -0.10387 -0.23179 -0.01539 140 2S -0.08648 -0.28069 0.05995 -0.08829 0.02033 141 19 O 1S -0.00067 -0.01629 -0.00069 0.01017 -0.01356 142 2S -0.09043 -0.07075 -0.09538 -0.11040 -0.05319 143 2PX 0.00605 0.05279 -0.02072 -0.05447 0.04966 144 2PY 0.02226 -0.02581 0.02709 0.03276 0.00404 145 2PZ -0.01240 -0.02570 0.02204 -0.01992 0.03778 146 3S 0.17900 0.84479 0.19621 0.22148 0.33831 147 3PX 0.06574 0.13217 0.06449 0.21261 -0.13820 148 3PY -0.04569 -0.16191 -0.07942 -0.05655 -0.15495 149 3PZ -0.04347 -0.05416 -0.06396 0.05569 -0.23275 150 4XX 0.14989 -0.03319 0.03736 0.22024 -0.18499 151 4YY 0.01117 -0.01463 0.00468 -0.03530 0.04228 152 4ZZ -0.17846 -0.02749 -0.06707 -0.15263 0.07365 153 4XY 0.08718 0.09225 0.03304 0.02673 0.24486 154 4XZ 0.02552 0.17222 -0.04470 0.16074 -0.10052 155 4YZ 0.04784 0.10952 0.07851 0.03262 0.35547 156 20 O 1S -0.00067 0.01629 0.00069 -0.01017 -0.01356 157 2S -0.09042 0.07075 0.09538 0.11040 -0.05319 158 2PX 0.00606 -0.05279 0.02072 0.05447 0.04966 159 2PY -0.02226 -0.02581 0.02709 0.03276 -0.00404 160 2PZ -0.01240 0.02570 -0.02204 0.01992 0.03778 161 3S 0.17902 -0.84479 -0.19622 -0.22147 0.33830 162 3PX 0.06575 -0.13217 -0.06449 -0.21261 -0.13820 163 3PY 0.04569 -0.16191 -0.07942 -0.05655 0.15495 164 3PZ -0.04347 0.05416 0.06396 -0.05570 -0.23275 165 4XX 0.14989 0.03319 -0.03736 -0.22024 -0.18499 166 4YY 0.01117 0.01463 -0.00468 0.03530 0.04228 167 4ZZ -0.17846 0.02749 0.06708 0.15263 0.07364 168 4XY -0.08718 0.09225 0.03304 0.02672 -0.24486 169 4XZ 0.02553 -0.17222 0.04470 -0.16074 -0.10052 170 4YZ -0.04784 0.10952 0.07851 0.03262 -0.35547 171 21 C 1S -0.00227 0.00000 0.00000 0.00000 0.00399 172 2S -0.17392 0.00000 0.00000 0.00000 -0.01074 173 2PX -0.05150 0.00000 0.00000 0.00000 -0.02967 174 2PY 0.00000 -0.00364 -0.01965 0.01621 0.00000 175 2PZ 0.02225 0.00000 0.00000 0.00000 -0.00176 176 3S 0.19886 0.00000 0.00000 0.00000 -0.14546 177 3PX 0.24646 0.00000 0.00000 0.00000 -0.04855 178 3PY 0.00000 -0.03431 0.01715 0.10852 0.00000 179 3PZ 0.02412 0.00000 0.00000 0.00000 0.23826 180 4XX 0.14745 0.00000 0.00000 0.00001 0.64720 181 4YY 0.08160 0.00000 0.00000 0.00000 0.01947 182 4ZZ -0.19874 0.00000 0.00000 -0.00001 -0.64860 183 4XY 0.00000 0.06841 0.09064 0.15314 0.00000 184 4XZ -0.06360 0.00000 0.00000 0.00000 0.10463 185 4YZ 0.00000 0.12399 0.08206 0.03679 0.00000 186 22 H 1S 0.07228 0.00000 0.00000 0.00000 0.33429 187 2S -0.08975 0.00000 0.00000 0.00000 -0.28934 188 23 H 1S -0.02679 0.00000 0.00000 0.00000 -0.34880 189 2S 0.11113 0.00000 0.00000 0.00000 0.17210 161 162 163 164 165 V V V V V Eigenvalues -- 2.45142 2.48406 2.52227 2.54540 2.59887 1 1 C 1S 0.00843 0.01126 0.00396 -0.01698 0.03373 2 2S -0.12577 -0.51025 0.11136 -0.54545 0.01614 3 2PX -0.03131 0.09572 -0.00971 0.06932 0.22946 4 2PY 0.02400 0.16253 0.01946 0.01110 -0.15519 5 2PZ -0.03407 -0.09472 0.07575 -0.10291 -0.09642 6 3S -0.04916 0.01825 -0.83691 1.62152 -0.72256 7 3PX -0.02251 0.66302 0.75516 0.05575 0.40323 8 3PY -0.07918 0.40185 0.74016 -0.67657 0.21211 9 3PZ 0.01310 0.27172 -0.74705 0.52585 -0.53829 10 4XX 0.10076 -0.29376 0.01486 0.30043 -0.09033 11 4YY 0.04538 -0.23432 -0.00389 -0.03083 0.09029 12 4ZZ -0.07403 0.62802 -0.04071 -0.17398 0.03609 13 4XY -0.03073 -0.29747 -0.31633 -0.32437 -0.04152 14 4XZ 0.03648 -0.02303 0.13610 0.14575 0.39502 15 4YZ 0.02687 -0.11502 -0.23716 -0.26339 -0.00601 16 2 C 1S 0.00843 -0.01126 -0.00396 0.01698 0.03373 17 2S -0.12578 0.51025 -0.11136 0.54545 0.01615 18 2PX -0.03131 -0.09572 0.00971 -0.06932 0.22946 19 2PY -0.02400 0.16253 0.01946 0.01110 0.15519 20 2PZ -0.03407 0.09472 -0.07575 0.10291 -0.09642 21 3S -0.04909 -0.01825 0.83691 -1.62152 -0.72256 22 3PX -0.02250 -0.66302 -0.75517 -0.05575 0.40323 23 3PY 0.07921 0.40185 0.74016 -0.67657 -0.21211 24 3PZ 0.01311 -0.27172 0.74705 -0.52585 -0.53829 25 4XX 0.10076 0.29376 -0.01486 -0.30043 -0.09033 26 4YY 0.04538 0.23432 0.00389 0.03083 0.09029 27 4ZZ -0.07403 -0.62802 0.04071 0.17398 0.03609 28 4XY 0.03072 -0.29747 -0.31633 -0.32437 0.04152 29 4XZ 0.03648 0.02303 -0.13610 -0.14575 0.39502 30 4YZ -0.02688 -0.11502 -0.23716 -0.26339 0.00601 31 3 C 1S -0.05688 -0.01408 -0.02278 -0.01262 -0.00750 32 2S -0.15221 -0.27708 -0.29553 -0.67704 -0.01999 33 2PX 0.01062 0.03309 -0.00375 -0.00825 0.03728 34 2PY 0.07967 -0.03916 -0.06404 -0.15937 0.00590 35 2PZ 0.07244 -0.04803 0.08613 -0.03353 -0.02230 36 3S 1.69065 0.51920 0.92480 1.33316 0.15545 37 3PX 0.09839 -0.08487 -0.32157 0.36642 0.06639 38 3PY 0.42894 0.12738 0.48709 0.98518 0.15571 39 3PZ 0.17008 -0.24184 0.24935 -0.14840 -0.07555 40 4XX -0.37715 0.05333 -0.01655 0.11723 0.03211 41 4YY 0.36740 -0.02820 0.03793 -0.00352 -0.18668 42 4ZZ -0.02265 0.01896 -0.00731 0.07049 0.15723 43 4XY 0.17809 0.01725 0.06987 -0.04211 -0.02855 44 4XZ -0.17537 0.02675 -0.10178 -0.03914 -0.09879 45 4YZ 0.21416 -0.08795 0.12822 -0.10901 -0.05445 46 4 C 1S 0.02272 0.00316 -0.00731 -0.00400 0.00820 47 2S 0.09662 -0.06931 -0.30698 -0.10917 0.07335 48 2PX 0.01344 0.02446 0.06986 0.07498 0.03984 49 2PY -0.00965 0.00228 0.00281 0.03051 0.07360 50 2PZ -0.00575 -0.00904 -0.05346 -0.03737 -0.03020 51 3S -0.80266 -0.16783 0.41277 -0.71761 -0.26750 52 3PX 0.29777 0.11885 -0.28561 0.31706 0.12904 53 3PY 0.16703 0.05142 0.02269 0.10382 -0.01897 54 3PZ -0.25974 -0.17667 0.13661 -0.37541 -0.06724 55 4XX -0.06694 0.00697 0.09901 -0.04649 -0.02798 56 4YY 0.12675 -0.01312 -0.00147 0.04105 -0.06570 57 4ZZ -0.05642 0.02217 -0.01860 0.00883 0.08422 58 4XY 0.02833 -0.08750 -0.08465 0.05401 -0.08147 59 4XZ 0.32096 0.02692 -0.11462 -0.08600 0.00740 60 4YZ -0.07955 -0.10164 -0.01058 -0.01104 0.03902 61 5 C 1S 0.02272 -0.00316 0.00731 0.00400 0.00820 62 2S 0.09661 0.06931 0.30698 0.10917 0.07335 63 2PX 0.01345 -0.02446 -0.06986 -0.07498 0.03984 64 2PY 0.00965 0.00228 0.00281 0.03051 -0.07360 65 2PZ -0.00575 0.00904 0.05346 0.03737 -0.03020 66 3S -0.80268 0.16784 -0.41277 0.71761 -0.26752 67 3PX 0.29778 -0.11886 0.28561 -0.31706 0.12904 68 3PY -0.16703 0.05142 0.02269 0.10382 0.01897 69 3PZ -0.25975 0.17667 -0.13661 0.37541 -0.06724 70 4XX -0.06694 -0.00697 -0.09901 0.04649 -0.02798 71 4YY 0.12676 0.01312 0.00147 -0.04105 -0.06570 72 4ZZ -0.05643 -0.02217 0.01860 -0.00883 0.08422 73 4XY -0.02833 -0.08750 -0.08465 0.05401 0.08147 74 4XZ 0.32095 -0.02692 0.11461 0.08600 0.00741 75 4YZ 0.07955 -0.10164 -0.01058 -0.01104 -0.03902 76 6 C 1S -0.05688 0.01408 0.02278 0.01262 -0.00750 77 2S -0.15224 0.27708 0.29553 0.67704 -0.01999 78 2PX 0.01062 -0.03309 0.00375 0.00824 0.03728 79 2PY -0.07967 -0.03916 -0.06404 -0.15937 -0.00590 80 2PZ 0.07244 0.04803 -0.08613 0.03353 -0.02230 81 3S 1.69074 -0.51921 -0.92480 -1.33316 0.15546 82 3PX 0.09838 0.08486 0.32157 -0.36642 0.06639 83 3PY -0.42899 0.12738 0.48709 0.98519 -0.15571 84 3PZ 0.17009 0.24184 -0.24935 0.14839 -0.07555 85 4XX -0.37715 -0.05333 0.01655 -0.11723 0.03211 86 4YY 0.36740 0.02820 -0.03793 0.00352 -0.18668 87 4ZZ -0.02264 -0.01896 0.00731 -0.07049 0.15723 88 4XY -0.17809 0.01725 0.06987 -0.04211 0.02855 89 4XZ -0.17537 -0.02675 0.10178 0.03914 -0.09879 90 4YZ -0.21417 -0.08795 0.12822 -0.10901 0.05445 91 7 H 1S 0.05277 -0.23428 -0.20488 0.01230 0.01938 92 2S 0.02931 -0.00315 -0.36689 0.13923 -0.19929 93 8 H 1S 0.19114 0.00537 -0.05258 -0.03163 -0.03710 94 2S -0.08732 -0.06933 0.08892 -0.07032 -0.00643 95 9 H 1S 0.19114 -0.00537 0.05258 0.03163 -0.03710 96 2S -0.08732 0.06933 -0.08892 0.07032 -0.00643 97 10 H 1S -0.32146 0.03195 0.05166 -0.09860 0.11050 98 2S 0.12339 -0.03060 -0.11463 -0.25499 0.02790 99 11 H 1S -0.32146 -0.03195 -0.05166 0.09860 0.11050 100 2S 0.12338 0.03060 0.11463 0.25499 0.02790 101 12 H 1S 0.05278 0.23428 0.20488 -0.01230 0.01938 102 2S 0.02931 0.00315 0.36689 -0.13923 -0.19928 103 13 C 1S 0.02654 0.01998 -0.05254 0.00477 0.00355 104 2S 0.16790 0.23777 -0.42368 0.09464 -0.24061 105 2PX -0.05146 -0.01961 0.03157 -0.04952 0.03303 106 2PY -0.04574 0.03118 -0.05661 0.04507 0.03158 107 2PZ 0.07041 -0.02881 0.01277 -0.09532 0.10857 108 3S -0.78982 -0.74731 2.12528 0.32658 0.06804 109 3PX -0.02859 0.09981 -0.48446 0.90801 -0.19649 110 3PY -0.07058 0.27903 -0.64334 -0.11226 -0.08512 111 3PZ 0.54587 0.24632 -0.90278 0.32741 -0.21683 112 4XX 0.16276 0.09308 -0.01379 -0.04838 0.08425 113 4YY 0.09042 -0.09084 0.18750 -0.10935 0.01264 114 4ZZ -0.25695 -0.03806 -0.15180 0.14359 -0.00202 115 4XY 0.03632 -0.02005 -0.32909 0.16377 -0.06085 116 4XZ 0.31761 0.09044 -0.41026 0.42636 -0.02391 117 4YZ 0.10905 -0.03784 0.06758 0.10375 0.03728 118 14 H 1S -0.13336 -0.02092 0.28868 -0.42921 0.03841 119 2S -0.06008 -0.07883 0.13405 -0.20596 0.15170 120 15 H 1S 0.07911 0.01603 -0.46456 0.31642 -0.11705 121 2S -0.05360 0.09431 0.07190 0.10234 0.06665 122 16 C 1S 0.02653 -0.01998 0.05254 -0.00477 0.00355 123 2S 0.16789 -0.23777 0.42368 -0.09464 -0.24061 124 2PX -0.05146 0.01962 -0.03157 0.04952 0.03303 125 2PY 0.04574 0.03118 -0.05661 0.04507 -0.03158 126 2PZ 0.07041 0.02881 -0.01277 0.09532 0.10857 127 3S -0.78973 0.74732 -2.12528 -0.32658 0.06804 128 3PX -0.02857 -0.09981 0.48446 -0.90801 -0.19649 129 3PY 0.07060 0.27903 -0.64334 -0.11226 0.08512 130 3PZ 0.54585 -0.24632 0.90278 -0.32741 -0.21683 131 4XX 0.16275 -0.09308 0.01379 0.04838 0.08425 132 4YY 0.09042 0.09084 -0.18750 0.10935 0.01264 133 4ZZ -0.25695 0.03806 0.15180 -0.14359 -0.00202 134 4XY -0.03631 -0.02005 -0.32909 0.16377 0.06085 135 4XZ 0.31761 -0.09044 0.41026 -0.42636 -0.02391 136 4YZ -0.10906 -0.03784 0.06758 0.10375 -0.03728 137 17 H 1S 0.07911 -0.01603 0.46456 -0.31642 -0.11705 138 2S -0.05359 -0.09431 -0.07190 -0.10234 0.06665 139 18 H 1S -0.13337 0.02092 -0.28868 0.42920 0.03841 140 2S -0.06009 0.07883 -0.13405 0.20596 0.15170 141 19 O 1S 0.00129 -0.00299 -0.02143 0.00519 -0.06143 142 2S -0.08148 -0.21690 -0.01894 -0.11448 -0.92386 143 2PX -0.02020 0.00669 0.06430 -0.05065 0.01497 144 2PY 0.01421 0.08671 -0.00859 0.02706 0.08664 145 2PZ -0.02182 0.05662 0.02610 0.01069 -0.02236 146 3S 0.11822 0.43886 0.63178 -0.06535 3.05689 147 3PX 0.05007 -0.10927 -0.04502 0.01808 0.25866 148 3PY -0.05269 -0.32717 -0.19754 -0.05736 -1.28065 149 3PZ 0.09356 -0.24639 -0.10332 0.03726 -0.01308 150 4XX 0.02335 -0.38472 0.11878 0.26103 -0.22185 151 4YY 0.04386 0.12820 0.07758 0.08044 0.37431 152 4ZZ -0.05969 0.21929 -0.31317 -0.30771 -0.42553 153 4XY -0.10966 -0.02719 0.05748 -0.04565 -0.09070 154 4XZ 0.00688 -0.23570 0.06025 -0.03249 -0.31709 155 4YZ -0.20274 0.24649 0.16029 0.04152 -0.09766 156 20 O 1S 0.00129 0.00299 0.02143 -0.00519 -0.06143 157 2S -0.08148 0.21690 0.01894 0.11448 -0.92386 158 2PX -0.02020 -0.00669 -0.06430 0.05065 0.01497 159 2PY -0.01420 0.08671 -0.00859 0.02706 -0.08664 160 2PZ -0.02182 -0.05662 -0.02610 -0.01069 -0.02236 161 3S 0.11821 -0.43886 -0.63178 0.06535 3.05689 162 3PX 0.05006 0.10927 0.04502 -0.01808 0.25866 163 3PY 0.05269 -0.32717 -0.19754 -0.05736 1.28065 164 3PZ 0.09356 0.24639 0.10332 -0.03726 -0.01308 165 4XX 0.02334 0.38472 -0.11878 -0.26103 -0.22185 166 4YY 0.04386 -0.12820 -0.07758 -0.08044 0.37431 167 4ZZ -0.05968 -0.21929 0.31317 0.30771 -0.42553 168 4XY 0.10966 -0.02719 0.05749 -0.04565 0.09070 169 4XZ 0.00687 0.23570 -0.06025 0.03249 -0.31709 170 4YZ 0.20274 0.24649 0.16029 0.04152 0.09765 171 21 C 1S 0.01008 0.00000 0.00000 0.00000 0.07432 172 2S -0.17425 0.00000 0.00000 0.00000 -0.43883 173 2PX -0.08401 0.00000 0.00000 0.00000 -0.37914 174 2PY 0.00000 -0.08051 -0.00677 -0.02815 0.00000 175 2PZ 0.05888 0.00000 0.00000 0.00000 0.41691 176 3S -0.06421 0.00000 0.00000 0.00000 -2.14715 177 3PX 0.10971 0.00000 0.00000 0.00000 -0.79033 178 3PY 0.00000 -0.05014 -0.12111 -0.02714 0.00000 179 3PZ 0.03787 0.00000 0.00000 0.00000 0.57002 180 4XX -0.36457 0.00000 0.00000 0.00000 0.10330 181 4YY 0.01300 0.00000 0.00000 0.00000 0.02710 182 4ZZ 0.41199 0.00000 0.00000 0.00000 0.04204 183 4XY 0.00000 -0.03673 0.16064 0.09174 0.00000 184 4XZ 0.04282 0.00000 0.00000 0.00000 0.56723 185 4YZ 0.00000 0.00416 0.31412 0.17766 0.00000 186 22 H 1S -0.23066 0.00000 0.00000 0.00000 0.09796 187 2S 0.09235 0.00000 0.00000 0.00000 0.06392 188 23 H 1S 0.21731 0.00000 0.00000 0.00000 -0.01737 189 2S -0.01175 0.00000 0.00000 0.00000 0.04503 166 167 168 169 170 V V V V V Eigenvalues -- 2.62736 2.64516 2.67572 2.69296 2.69442 1 1 C 1S -0.00063 -0.03921 0.02974 0.03024 0.00185 2 2S -0.05832 -0.17739 0.08307 0.10918 0.00261 3 2PX -0.10502 0.08487 -0.01834 -0.00627 0.00632 4 2PY 0.02331 -0.24128 0.18969 0.23517 0.00036 5 2PZ 0.02043 -0.06663 0.03229 0.03741 -0.02243 6 3S 0.22441 1.67148 -1.23710 -1.21581 -0.07772 7 3PX -0.08601 -0.03259 0.12141 -0.01700 0.00570 8 3PY 0.04078 -0.89125 0.76125 0.74836 -0.05255 9 3PZ 0.09795 0.46079 -0.27534 -0.09514 0.01970 10 4XX 0.01279 -0.21783 0.22602 0.23841 -0.01036 11 4YY -0.00204 0.43713 -0.37451 -0.48163 0.00679 12 4ZZ 0.05121 -0.17937 0.11281 0.16600 -0.00899 13 4XY 0.01045 0.10106 -0.03282 0.02058 0.03011 14 4XZ -0.14130 0.13137 0.01456 0.02471 -0.00818 15 4YZ -0.00167 -0.05113 0.13379 0.15489 -0.02677 16 2 C 1S -0.00063 0.03921 -0.02974 -0.03024 0.00186 17 2S -0.05832 0.17739 -0.08307 -0.10918 0.00264 18 2PX -0.10502 -0.08487 0.01834 0.00627 0.00632 19 2PY -0.02331 -0.24128 0.18969 0.23517 -0.00043 20 2PZ 0.02043 0.06663 -0.03229 -0.03742 -0.02242 21 3S 0.22440 -1.67149 1.23710 1.21578 -0.07809 22 3PX -0.08601 0.03259 -0.12141 0.01701 0.00570 23 3PY -0.04079 -0.89125 0.76125 0.74838 0.05232 24 3PZ 0.09795 -0.46079 0.27534 0.09515 0.01968 25 4XX 0.01280 0.21783 -0.22602 -0.23841 -0.01029 26 4YY -0.00205 -0.43713 0.37451 0.48164 0.00665 27 4ZZ 0.05121 0.17937 -0.11281 -0.16600 -0.00894 28 4XY -0.01045 0.10106 -0.03282 0.02057 -0.03012 29 4XZ -0.14130 -0.13136 -0.01456 -0.02471 -0.00817 30 4YZ 0.00167 -0.05113 0.13379 0.15490 0.02672 31 3 C 1S -0.05661 -0.05184 0.01606 0.00462 -0.00416 32 2S 0.00748 -0.62626 0.01389 -0.19466 -0.06848 33 2PX 0.18041 0.13246 -0.07425 0.14136 -0.18617 34 2PY 0.15216 -0.03958 -0.04989 -0.03531 -0.06817 35 2PZ -0.10566 -0.11435 0.06729 -0.12066 0.26135 36 3S 1.49225 3.28201 -0.56540 0.85285 -0.12725 37 3PX 0.29004 0.49621 -0.24062 0.09492 -0.61685 38 3PY 0.66651 1.76834 -0.22638 0.50947 -0.02012 39 3PZ -0.09898 -0.14116 -0.18607 -0.10317 0.86592 40 4XX 0.03654 -0.08738 -0.19027 0.30125 -0.21279 41 4YY -0.39040 0.18179 -0.02125 0.13760 -0.24539 42 4ZZ 0.29662 -0.00318 0.14565 -0.34156 0.39777 43 4XY 0.19793 0.21184 -0.07130 0.08830 -0.43624 44 4XZ -0.63495 -0.23503 0.05584 -0.08755 0.03741 45 4YZ -0.18462 -0.10317 -0.17756 0.02695 0.52144 46 4 C 1S 0.03649 0.09125 0.00244 0.05530 -0.02285 47 2S -0.07579 0.29584 0.03132 0.06281 0.08141 48 2PX 0.27687 0.11491 -0.01119 0.02847 -0.16209 49 2PY 0.27528 -0.18514 -0.12240 -0.22595 -0.03371 50 2PZ -0.20683 -0.07063 0.02518 -0.04493 0.16279 51 3S -0.96085 -4.83449 -0.18526 -2.08603 0.94947 52 3PX 0.41332 1.32185 -0.09792 0.44761 -0.33641 53 3PY 0.05234 -1.45799 -0.45582 -0.74571 -0.40530 54 3PZ -0.39086 -1.40741 0.32059 -0.36590 0.28676 55 4XX -0.07544 0.19367 -0.09677 0.37220 0.13068 56 4YY -0.08993 -0.44848 -0.24097 -0.44487 -0.20927 57 4ZZ 0.16427 0.23923 0.26496 0.09811 0.19683 58 4XY -0.31767 0.10289 0.11050 0.11573 0.10456 59 4XZ 0.24092 0.46376 -0.11101 0.17453 -0.39537 60 4YZ 0.24362 -0.23611 -0.32442 0.27875 -0.13765 61 5 C 1S 0.03649 -0.09125 -0.00244 -0.05531 -0.02283 62 2S -0.07580 -0.29584 -0.03132 -0.06278 0.08143 63 2PX 0.27687 -0.11492 0.01120 -0.02853 -0.16208 64 2PY -0.27529 -0.18513 -0.12240 -0.22594 0.03378 65 2PZ -0.20683 0.07063 -0.02518 0.04498 0.16277 66 3S -0.96079 4.83450 0.18523 2.08634 0.94880 67 3PX 0.41331 -1.32186 0.09793 -0.44772 -0.33627 68 3PY -0.05236 -1.45798 -0.45582 -0.74558 0.40553 69 3PZ -0.39084 1.40741 -0.32060 0.36599 0.28663 70 4XX -0.07544 -0.19367 0.09677 -0.37216 0.13080 71 4YY -0.08993 0.44848 0.24097 0.44480 -0.20941 72 4ZZ 0.16427 -0.23923 -0.26496 -0.09805 0.19686 73 4XY 0.31767 0.10289 0.11051 0.11569 -0.10460 74 4XZ 0.24092 -0.46376 0.11102 -0.17466 -0.39531 75 4YZ -0.24362 -0.23611 -0.32442 0.27880 0.13755 76 6 C 1S -0.05661 0.05184 -0.01606 -0.00463 -0.00416 77 2S 0.00750 0.62626 -0.01389 0.19464 -0.06855 78 2PX 0.18041 -0.13247 0.07425 -0.14142 -0.18612 79 2PY -0.15216 -0.03958 -0.04989 -0.03528 0.06818 80 2PZ -0.10566 0.11435 -0.06730 0.12074 0.26131 81 3S 1.49220 -3.28203 0.56542 -0.85290 -0.12697 82 3PX 0.29003 -0.49621 0.24063 -0.09512 -0.61682 83 3PY -0.66649 1.76835 -0.22639 0.50948 0.01995 84 3PZ -0.09899 0.14116 0.18606 0.10344 0.86589 85 4XX 0.03654 0.08738 0.19028 -0.30132 -0.21269 86 4YY -0.39041 -0.18179 0.02125 -0.13768 -0.24534 87 4ZZ 0.29662 0.00318 -0.14565 0.34168 0.39766 88 4XY -0.19793 0.21184 -0.07131 0.08845 0.43621 89 4XZ -0.63495 0.23504 -0.05584 0.08756 0.03738 90 4YZ 0.18462 -0.10317 -0.17755 0.02679 -0.52145 91 7 H 1S -0.05739 0.00431 0.07128 0.11222 -0.00942 92 2S 0.02612 0.19608 -0.19772 -0.15458 0.06708 93 8 H 1S -0.09984 0.20982 0.07983 0.00836 -0.11819 94 2S -0.07854 -0.56184 -0.02387 -0.12830 0.10439 95 9 H 1S -0.09984 -0.20982 -0.07983 -0.00840 -0.11819 96 2S -0.07853 0.56184 0.02387 0.12834 0.10435 97 10 H 1S 0.20380 0.05724 -0.01454 0.06925 0.12382 98 2S 0.03399 -0.33777 0.13657 -0.13082 -0.05835 99 11 H 1S 0.20380 -0.05724 0.01454 -0.06921 0.12384 100 2S 0.03400 0.33776 -0.13657 0.13080 -0.05840 101 12 H 1S -0.05739 -0.00431 -0.07128 -0.11223 -0.00939 102 2S 0.02612 -0.19608 0.19772 0.15460 0.06703 103 13 C 1S 0.02344 -0.02589 -0.04806 -0.00102 0.04182 104 2S 0.03978 0.03636 -0.01591 -0.28994 -0.04168 105 2PX -0.04956 0.01444 0.02165 0.00918 -0.06551 106 2PY -0.11853 -0.01553 -0.20946 -0.01918 -0.08279 107 2PZ 0.11418 -0.11241 0.02053 0.06933 0.18417 108 3S -0.48949 1.44519 0.83106 0.89288 -0.80732 109 3PX 0.03158 0.28921 -0.31653 -0.25685 -0.07081 110 3PY 0.04162 -0.42332 -0.69466 -0.43179 -0.19976 111 3PZ 0.33163 -0.32339 0.11480 -0.21778 0.46144 112 4XX 0.20404 -0.12009 -0.36921 0.12735 0.22687 113 4YY -0.04503 0.07510 0.65233 0.02188 0.13082 114 4ZZ -0.11240 -0.03886 -0.40721 -0.03326 -0.29292 115 4XY 0.00312 -0.01509 0.08513 -0.16104 -0.07716 116 4XZ -0.00043 0.04239 0.02756 0.13526 0.16253 117 4YZ 0.20614 0.04401 -0.11841 0.33109 0.25398 118 14 H 1S -0.06357 -0.07367 0.10668 -0.08930 -0.03576 119 2S -0.05818 -0.03254 0.01702 0.15802 -0.03141 120 15 H 1S -0.02371 -0.01133 0.07771 -0.16917 -0.03528 121 2S 0.04281 0.05041 -0.15065 -0.06230 -0.04630 122 16 C 1S 0.02344 0.02589 0.04806 0.00104 0.04182 123 2S 0.03979 -0.03636 0.01591 0.28993 -0.04177 124 2PX -0.04956 -0.01444 -0.02165 -0.00920 -0.06551 125 2PY 0.11853 -0.01553 -0.20946 -0.01916 0.08279 126 2PZ 0.11418 0.11241 -0.02053 -0.06928 0.18419 127 3S -0.48951 -1.44518 -0.83105 -0.89313 -0.80705 128 3PX 0.03158 -0.28921 0.31653 0.25683 -0.07089 129 3PY -0.04162 -0.42331 -0.69466 -0.43172 0.19989 130 3PZ 0.33164 0.32339 -0.11481 0.21793 0.46137 131 4XX 0.20404 0.12009 0.36921 -0.12728 0.22691 132 4YY -0.04502 -0.07510 -0.65234 -0.02184 0.13082 133 4ZZ -0.11240 0.03886 0.40721 0.03316 -0.29292 134 4XY -0.00312 -0.01508 0.08513 -0.16101 0.07721 135 4XZ -0.00043 -0.04239 -0.02756 -0.13521 0.16258 136 4YZ -0.20614 0.04401 -0.11840 0.33102 -0.25409 137 17 H 1S -0.02371 0.01133 -0.07771 0.16916 -0.03534 138 2S 0.04281 -0.05040 0.15065 0.06229 -0.04632 139 18 H 1S -0.06357 0.07367 -0.10668 0.08929 -0.03578 140 2S -0.05818 0.03254 -0.01702 -0.15803 -0.03136 141 19 O 1S 0.01853 -0.02776 0.01419 0.01326 0.00095 142 2S 0.21345 -0.11747 0.06553 0.19100 0.10058 143 2PX -0.00912 0.04493 -0.02454 -0.00807 0.01144 144 2PY -0.01352 -0.02119 0.01435 0.01862 -0.00597 145 2PZ -0.00170 -0.01138 0.01158 0.01810 0.00427 146 3S -0.78503 0.39812 -0.19410 -0.51094 -0.27522 147 3PX -0.09421 -0.18579 0.13892 0.10526 0.02444 148 3PY 0.29173 -0.22055 0.11388 0.21847 0.15020 149 3PZ 0.03317 0.07099 -0.08063 -0.13569 -0.08477 150 4XX 0.04064 -0.11735 0.07683 0.05959 0.04828 151 4YY -0.06715 0.13534 -0.09236 -0.16085 -0.09956 152 4ZZ 0.11392 -0.10244 0.04318 0.08566 0.04310 153 4XY 0.05748 0.05755 -0.08122 -0.10485 -0.03434 154 4XZ 0.08955 -0.21062 0.10429 0.09121 -0.02066 155 4YZ 0.01678 -0.08571 0.06948 0.09999 0.04003 156 20 O 1S 0.01853 0.02776 -0.01419 -0.01326 0.00096 157 2S 0.21345 0.11747 -0.06553 -0.19097 0.10064 158 2PX -0.00912 -0.04493 0.02454 0.00807 0.01143 159 2PY 0.01352 -0.02119 0.01435 0.01862 0.00597 160 2PZ -0.00170 0.01138 -0.01158 -0.01809 0.00427 161 3S -0.78504 -0.39810 0.19410 0.51086 -0.27537 162 3PX -0.09421 0.18579 -0.13892 -0.10525 0.02447 163 3PY -0.29173 -0.22054 0.11388 0.21843 -0.15026 164 3PZ 0.03318 -0.07099 0.08063 0.13567 -0.08481 165 4XX 0.04064 0.11735 -0.07683 -0.05958 0.04829 166 4YY -0.06715 -0.13534 0.09236 0.16082 -0.09961 167 4ZZ 0.11392 0.10244 -0.04318 -0.08564 0.04313 168 4XY -0.05748 0.05755 -0.08123 -0.10484 0.03437 169 4XZ 0.08955 0.21062 -0.10429 -0.09122 -0.02064 170 4YZ -0.01678 -0.08571 0.06948 0.09998 -0.04006 171 21 C 1S -0.01677 0.00000 0.00000 0.00000 -0.01206 172 2S 0.00903 0.00000 0.00000 0.00000 -0.01421 173 2PX 0.06137 0.00000 0.00000 0.00001 0.03738 174 2PY 0.00000 -0.25153 0.17492 0.26561 -0.00004 175 2PZ -0.08964 0.00000 0.00000 -0.00001 -0.06557 176 3S 0.59914 -0.00001 0.00000 0.00006 0.41469 177 3PX 0.27669 0.00000 0.00000 0.00004 0.24181 178 3PY 0.00000 -0.35150 0.23176 0.32582 -0.00005 179 3PZ -0.12387 0.00000 0.00000 -0.00001 -0.04751 180 4XX 0.00342 0.00000 0.00000 0.00000 -0.02283 181 4YY -0.01669 0.00000 0.00000 0.00000 0.00860 182 4ZZ 0.00403 0.00000 0.00000 0.00001 0.03935 183 4XY 0.00000 -0.26261 0.17536 0.26205 -0.00004 184 4XZ -0.14429 0.00000 0.00000 -0.00001 -0.09207 185 4YZ 0.00000 0.26588 -0.18261 -0.26970 0.00004 186 22 H 1S -0.03127 0.00000 0.00000 -0.00001 -0.05771 187 2S -0.06384 0.00000 0.00000 -0.00001 -0.03421 188 23 H 1S -0.00070 0.00000 0.00000 0.00000 0.02310 189 2S 0.02553 0.00000 0.00000 0.00001 0.04219 171 172 173 174 175 V V V V V Eigenvalues -- 2.73616 2.76583 2.80385 2.86682 2.87987 1 1 C 1S 0.02044 0.02612 0.10186 -0.01590 0.02804 2 2S 0.15142 -0.09130 0.64218 0.06166 -0.18667 3 2PX 0.04673 0.25696 0.27619 0.09533 0.32205 4 2PY -0.13888 -0.17851 0.23348 -0.28277 -0.08275 5 2PZ -0.05908 -0.16150 -0.03070 -0.07269 -0.22880 6 3S -1.08025 -0.60964 -5.68210 0.43212 -0.97033 7 3PX 0.11857 0.18944 0.75594 0.02153 0.37025 8 3PY 0.02971 -0.16173 2.30564 -0.29619 -0.32757 9 3PZ -0.50535 -0.19720 -1.89526 -0.01274 -0.33084 10 4XX -0.21053 -0.03733 0.18621 -0.23081 -0.22113 11 4YY 0.32746 -0.04508 -0.47805 0.55720 0.21561 12 4ZZ -0.03536 0.09110 0.11926 -0.30831 -0.07958 13 4XY 0.04312 0.25622 0.00774 -0.44733 0.13253 14 4XZ 0.00902 0.18777 0.42145 0.10637 0.37885 15 4YZ -0.05462 -0.18873 0.38966 0.50465 -0.10502 16 2 C 1S -0.02044 0.02612 -0.10186 0.01590 0.02804 17 2S -0.15142 -0.09130 -0.64218 -0.06167 -0.18667 18 2PX -0.04673 0.25696 -0.27619 -0.09533 0.32205 19 2PY -0.13888 0.17851 0.23348 -0.28277 0.08276 20 2PZ 0.05908 -0.16150 0.03070 0.07269 -0.22880 21 3S 1.08025 -0.60962 5.68211 -0.43213 -0.97031 22 3PX -0.11857 0.18944 -0.75594 -0.02152 0.37025 23 3PY 0.02971 0.16174 2.30564 -0.29618 0.32758 24 3PZ 0.50535 -0.19720 1.89526 0.01274 -0.33083 25 4XX 0.21053 -0.03733 -0.18621 0.23081 -0.22113 26 4YY -0.32746 -0.04508 0.47805 -0.55720 0.21563 27 4ZZ 0.03536 0.09110 -0.11926 0.30831 -0.07958 28 4XY 0.04312 -0.25622 0.00774 -0.44733 -0.13252 29 4XZ -0.00902 0.18777 -0.42145 -0.10636 0.37885 30 4YZ -0.05462 0.18873 0.38966 0.50465 0.10501 31 3 C 1S 0.07983 -0.00422 0.01699 0.00218 -0.01091 32 2S 0.83725 -0.03450 0.48244 0.16635 -0.07336 33 2PX -0.12906 0.01677 -0.04246 0.00103 0.02466 34 2PY -0.01611 0.00267 0.08057 0.02809 0.00836 35 2PZ -0.01719 -0.01869 0.09846 -0.04603 -0.02226 36 3S -4.27733 0.16134 -1.05805 -0.35891 0.44492 37 3PX -0.17254 0.02312 -0.05185 0.08364 0.04716 38 3PY -1.92018 0.03058 -0.68741 -0.18274 0.15631 39 3PZ -0.39719 -0.11347 0.18543 -0.05309 -0.17457 40 4XX 0.23993 0.02711 -0.18569 0.02004 0.03296 41 4YY -0.16938 0.01131 -0.00208 -0.02498 0.00307 42 4ZZ -0.29035 -0.03078 0.05350 -0.06303 -0.02621 43 4XY -0.19870 0.03016 0.03045 0.01939 0.04591 44 4XZ 0.28928 -0.00062 -0.04614 0.01699 -0.03653 45 4YZ -0.07350 -0.02838 0.12956 -0.04426 -0.04033 46 4 C 1S -0.03640 0.00323 -0.00786 -0.00507 0.00694 47 2S -0.29400 0.05994 -0.04151 0.01539 0.13546 48 2PX -0.12047 0.00293 -0.03305 -0.00522 0.01194 49 2PY -0.19071 0.00780 -0.00849 0.03252 0.04019 50 2PZ 0.08425 -0.01762 0.01751 -0.00479 -0.02915 51 3S 3.14426 -0.20810 1.03569 0.26903 -0.42660 52 3PX -1.22962 0.08270 -0.40705 -0.03807 0.19545 53 3PY 0.53581 0.05186 0.22319 0.14414 0.04304 54 3PZ 1.31395 -0.02260 0.38907 0.03322 -0.09450 55 4XX 0.22859 -0.02247 -0.00549 -0.01804 -0.04929 56 4YY -0.29280 0.00207 0.00585 0.04840 -0.01556 57 4ZZ 0.05827 -0.00934 0.01541 -0.05297 0.00265 58 4XY 0.06455 -0.00882 -0.03104 -0.01530 -0.02450 59 4XZ -0.34510 0.03744 -0.02877 0.03101 0.06115 60 4YZ 0.20036 0.00522 -0.01935 0.04912 0.01943 61 5 C 1S 0.03640 0.00323 0.00786 0.00507 0.00694 62 2S 0.29400 0.05994 0.04151 -0.01539 0.13546 63 2PX 0.12047 0.00293 0.03305 0.00522 0.01194 64 2PY -0.19071 -0.00780 -0.00849 0.03252 -0.04019 65 2PZ -0.08425 -0.01762 -0.01751 0.00479 -0.02915 66 3S -3.14426 -0.20811 -1.03569 -0.26903 -0.42660 67 3PX 1.22962 0.08270 0.40705 0.03807 0.19545 68 3PY 0.53581 -0.05186 0.22319 0.14414 -0.04305 69 3PZ -1.31395 -0.02260 -0.38907 -0.03322 -0.09451 70 4XX -0.22859 -0.02247 0.00549 0.01804 -0.04930 71 4YY 0.29279 0.00207 -0.00585 -0.04840 -0.01556 72 4ZZ -0.05827 -0.00934 -0.01541 0.05297 0.00265 73 4XY 0.06455 0.00882 -0.03104 -0.01530 0.02450 74 4XZ 0.34510 0.03744 0.02877 -0.03100 0.06116 75 4YZ 0.20036 -0.00522 -0.01935 0.04912 -0.01943 76 6 C 1S -0.07983 -0.00422 -0.01699 -0.00218 -0.01091 77 2S -0.83725 -0.03450 -0.48244 -0.16635 -0.07336 78 2PX 0.12906 0.01677 0.04246 -0.00103 0.02466 79 2PY -0.01611 -0.00267 0.08057 0.02809 -0.00836 80 2PZ 0.01719 -0.01869 -0.09846 0.04603 -0.02226 81 3S 4.27733 0.16134 1.05805 0.35892 0.44492 82 3PX 0.17253 0.02312 0.05185 -0.08364 0.04717 83 3PY -1.92018 -0.03058 -0.68741 -0.18274 -0.15631 84 3PZ 0.39720 -0.11347 -0.18542 0.05309 -0.17457 85 4XX -0.23994 0.02711 0.18569 -0.02004 0.03296 86 4YY 0.16938 0.01131 0.00208 0.02498 0.00307 87 4ZZ 0.29035 -0.03078 -0.05350 0.06302 -0.02621 88 4XY -0.19870 -0.03016 0.03045 0.01939 -0.04591 89 4XZ -0.28928 -0.00062 0.04614 -0.01700 -0.03653 90 4YZ -0.07350 0.02838 0.12956 -0.04426 0.04033 91 7 H 1S -0.04889 -0.02772 0.25020 0.27602 0.05034 92 2S 0.04042 0.05106 -0.71649 -0.10423 0.01783 93 8 H 1S -0.12359 0.02205 0.01168 -0.00243 0.02008 94 2S 0.42532 -0.00040 0.13491 0.01610 -0.02758 95 9 H 1S 0.12359 0.02205 -0.01168 0.00243 0.02008 96 2S -0.42532 -0.00041 -0.13491 -0.01610 -0.02758 97 10 H 1S -0.11618 -0.02565 0.04146 -0.01883 -0.02166 98 2S 0.44608 0.01667 0.11995 0.05352 0.03665 99 11 H 1S 0.11618 -0.02565 -0.04146 0.01882 -0.02166 100 2S -0.44608 0.01667 -0.11995 -0.05352 0.03665 101 12 H 1S 0.04889 -0.02771 -0.25020 -0.27602 0.05034 102 2S -0.04042 0.05106 0.71648 0.10424 0.01783 103 13 C 1S 0.03528 -0.00445 -0.01176 0.00772 -0.00607 104 2S 0.21513 -0.04674 -0.27632 0.03913 0.02152 105 2PX -0.06092 0.00922 0.05050 -0.01277 -0.01705 106 2PY -0.12114 0.01050 0.04004 -0.01736 -0.00853 107 2PZ 0.20597 -0.00098 0.06665 0.02578 -0.00322 108 3S -2.28235 0.12467 0.19901 -0.33570 0.04039 109 3PX -0.34320 -0.03084 -0.49668 0.02473 0.05179 110 3PY -0.21123 0.01821 0.04633 0.02012 0.04533 111 3PZ 0.97252 -0.04598 -0.40349 0.15967 0.01732 112 4XX 0.01240 -0.00321 0.06128 0.01236 -0.01490 113 4YY 0.35565 -0.00825 -0.13329 0.04042 -0.02522 114 4ZZ -0.36207 0.01986 0.14072 -0.04836 0.00315 115 4XY -0.04695 0.00770 0.04529 -0.00382 0.02317 116 4XZ 0.17535 0.00243 -0.08617 0.02022 0.01351 117 4YZ 0.15791 -0.01577 -0.03251 0.01511 -0.01011 118 14 H 1S 0.08219 -0.00726 0.06374 0.00164 -0.02116 119 2S 0.07242 0.01788 0.22394 -0.01489 -0.02803 120 15 H 1S 0.09115 0.00553 -0.11178 0.02478 0.02014 121 2S 0.08252 -0.05633 -0.10176 0.00543 0.00217 122 16 C 1S -0.03528 -0.00445 0.01176 -0.00772 -0.00607 123 2S -0.21513 -0.04673 0.27632 -0.03913 0.02152 124 2PX 0.06092 0.00922 -0.05050 0.01277 -0.01705 125 2PY -0.12114 -0.01050 0.04004 -0.01736 0.00853 126 2PZ -0.20597 -0.00098 -0.06665 -0.02578 -0.00322 127 3S 2.28235 0.12467 -0.19901 0.33570 0.04039 128 3PX 0.34320 -0.03084 0.49668 -0.02473 0.05179 129 3PY -0.21123 -0.01821 0.04633 0.02012 -0.04533 130 3PZ -0.97252 -0.04598 0.40349 -0.15967 0.01732 131 4XX -0.01239 -0.00321 -0.06128 -0.01236 -0.01490 132 4YY -0.35565 -0.00825 0.13329 -0.04042 -0.02522 133 4ZZ 0.36207 0.01986 -0.14072 0.04836 0.00315 134 4XY -0.04695 -0.00770 0.04529 -0.00382 -0.02317 135 4XZ -0.17535 0.00243 0.08617 -0.02022 0.01351 136 4YZ 0.15791 0.01577 -0.03251 0.01511 0.01011 137 17 H 1S -0.09115 0.00553 0.11178 -0.02478 0.02014 138 2S -0.08252 -0.05633 0.10176 -0.00543 0.00217 139 18 H 1S -0.08219 -0.00726 -0.06374 -0.00164 -0.02116 140 2S -0.07242 0.01788 -0.22394 0.01489 -0.02804 141 19 O 1S -0.02198 -0.04854 -0.03128 0.03037 0.00134 142 2S -0.42701 -0.32951 -0.85408 0.04202 0.00669 143 2PX -0.00656 -0.00127 -0.05073 -0.02989 -0.04386 144 2PY -0.00613 -0.07695 0.04194 0.02982 -0.05009 145 2PZ -0.01053 0.00310 0.01563 0.02245 0.03258 146 3S 1.35565 1.35413 2.86318 -0.44290 -0.01952 147 3PX 0.11321 0.25791 0.65468 0.17987 1.07655 148 3PY -0.45652 -0.17237 -0.96872 0.06288 0.44058 149 3PZ 0.05607 -0.12546 -0.17166 -0.15464 -0.86881 150 4XX -0.07401 0.23294 0.02379 -0.04086 0.31458 151 4YY 0.17102 -0.51137 0.23126 0.15078 -0.30404 152 4ZZ -0.09904 0.06875 -0.25496 0.07247 0.05410 153 4XY 0.11090 0.11515 -0.06517 -0.43292 -0.65006 154 4XZ -0.16066 -0.60831 -0.23997 0.17646 -0.18687 155 4YZ -0.13733 -0.14046 -0.12980 0.28895 0.54291 156 20 O 1S 0.02198 -0.04854 0.03128 -0.03037 0.00134 157 2S 0.42701 -0.32951 0.85408 -0.04202 0.00669 158 2PX 0.00656 -0.00127 0.05073 0.02989 -0.04386 159 2PY -0.00613 0.07695 0.04194 0.02982 0.05009 160 2PZ 0.01053 0.00310 -0.01563 -0.02245 0.03258 161 3S -1.35565 1.35412 -2.86318 0.44291 -0.01954 162 3PX -0.11321 0.25791 -0.65468 -0.17985 1.07655 163 3PY -0.45652 0.17237 -0.96872 0.06288 -0.44059 164 3PZ -0.05607 -0.12546 0.17166 0.15462 -0.86881 165 4XX 0.07401 0.23294 -0.02380 0.04087 0.31458 166 4YY -0.17102 -0.51137 -0.23126 -0.15078 -0.30404 167 4ZZ 0.09904 0.06875 0.25496 -0.07247 0.05411 168 4XY 0.11090 -0.11515 -0.06517 -0.43291 0.65007 169 4XZ 0.16066 -0.60831 0.23997 -0.17646 -0.18686 170 4YZ -0.13733 0.14046 -0.12980 0.28895 -0.54291 171 21 C 1S 0.00000 0.02776 0.00000 0.00000 -0.07868 172 2S 0.00000 -0.01883 0.00000 0.00000 0.25227 173 2PX 0.00000 -0.05947 0.00000 0.00000 0.29572 174 2PY -0.39065 0.00000 -0.51811 0.34028 0.00000 175 2PZ 0.00000 0.07571 0.00000 0.00000 -0.32693 176 3S 0.00000 -0.75750 0.00000 0.00002 2.15173 177 3PX 0.00000 -0.00958 0.00000 0.00000 0.37835 178 3PY -0.38403 0.00000 -0.28907 0.32209 0.00000 179 3PZ 0.00000 -0.03171 0.00000 0.00000 -0.35507 180 4XX 0.00000 0.39432 0.00000 0.00000 -0.35298 181 4YY 0.00000 -0.74231 0.00000 0.00000 0.56648 182 4ZZ 0.00000 0.40231 0.00000 0.00000 -0.24822 183 4XY -0.35242 0.00000 -0.39865 0.12391 0.00000 184 4XZ 0.00000 -0.14335 0.00000 0.00000 -0.16517 185 4YZ 0.31649 0.00000 0.32462 -0.27954 0.00000 186 22 H 1S 0.00000 -0.09318 0.00000 0.00000 -0.05887 187 2S 0.00000 0.22024 0.00000 0.00000 -0.15263 188 23 H 1S 0.00000 -0.07784 0.00000 0.00000 0.00243 189 2S 0.00000 0.16851 0.00000 0.00000 -0.15175 176 177 178 179 180 V V V V V Eigenvalues -- 2.94455 3.10579 3.13114 4.00618 4.10567 1 1 C 1S 0.01522 0.05497 -0.02325 -0.01589 0.08289 2 2S 0.20091 0.14368 -0.05612 0.24732 -0.77028 3 2PX 0.01439 0.40494 -0.06203 0.05288 -0.15494 4 2PY 0.06655 -0.23583 0.04006 -0.04196 -0.10381 5 2PZ 0.03112 -0.19921 0.03818 -0.00438 0.06217 6 3S -1.13268 -2.85775 1.07846 -0.87290 2.53973 7 3PX 0.19111 1.00620 -0.26799 0.33960 -1.11917 8 3PY 0.48973 0.28832 -0.34418 -0.07258 -0.49192 9 3PZ -0.48592 -1.49314 0.47345 -0.33714 1.34350 10 4XX 0.03890 -0.30777 0.04783 -0.04406 0.40569 11 4YY -0.12587 0.24499 -0.04009 -0.07707 0.50477 12 4ZZ 0.00491 0.00960 -0.03496 -0.05325 0.37527 13 4XY 0.02563 0.44146 -0.06521 -0.08592 0.01243 14 4XZ 0.03145 0.47078 -0.07900 0.05439 -0.12130 15 4YZ -0.01456 -0.33441 0.07164 0.06456 -0.03968 16 2 C 1S -0.01522 -0.05497 0.02325 -0.01589 -0.08289 17 2S -0.20091 -0.14368 0.05612 0.24732 0.77030 18 2PX -0.01439 -0.40494 0.06203 0.05288 0.15494 19 2PY 0.06655 -0.23583 0.04006 0.04196 -0.10381 20 2PZ -0.03112 0.19921 -0.03818 -0.00438 -0.06217 21 3S 1.13267 2.85775 -1.07846 -0.87289 -2.53973 22 3PX -0.19111 -1.00620 0.26799 0.33959 1.11917 23 3PY 0.48973 0.28832 -0.34418 0.07258 -0.49192 24 3PZ 0.48592 1.49314 -0.47345 -0.33714 -1.34350 25 4XX -0.03890 0.30777 -0.04783 -0.04406 -0.40570 26 4YY 0.12587 -0.24499 0.04009 -0.07707 -0.50478 27 4ZZ -0.00491 -0.00960 0.03496 -0.05325 -0.37528 28 4XY 0.02563 0.44146 -0.06521 0.08592 0.01243 29 4XZ -0.03145 -0.47078 0.07900 0.05439 0.12130 30 4YZ -0.01456 -0.33441 0.07164 -0.06456 -0.03968 31 3 C 1S -0.00270 0.00735 -0.05161 0.01871 0.02610 32 2S 0.22320 0.37747 -0.10012 -0.25475 -0.58047 33 2PX 0.21130 -0.01228 0.17929 0.02143 0.05976 34 2PY 0.14415 0.05429 0.05555 -0.00596 -0.00031 35 2PZ -0.24010 0.02619 -0.11045 -0.02749 -0.03782 36 3S 0.36149 -0.85223 1.91480 0.29259 1.23106 37 3PX 0.85896 0.08795 0.11739 0.05153 -0.08996 38 3PY -0.03531 -0.47477 0.86086 0.18185 0.81112 39 3PZ -1.12978 -0.03572 0.21897 -0.07152 0.20532 40 4XX 0.15726 -0.07175 0.09823 0.13841 0.26056 41 4YY 0.04304 -0.11070 -0.46042 0.10324 0.20076 42 4ZZ -0.17132 0.02627 0.34372 0.09652 0.23202 43 4XY 0.39083 0.01009 -0.01688 0.03130 0.01396 44 4XZ -0.17256 -0.07757 -0.44737 -0.01486 -0.08636 45 4YZ -0.46131 -0.01152 -0.00065 -0.04408 0.00809 46 4 C 1S 0.00100 -0.00434 0.05713 -0.03378 -0.00892 47 2S -0.02736 -0.22682 -0.08189 0.31085 0.39550 48 2PX 0.17677 0.01771 0.08610 0.02376 0.02795 49 2PY 0.40578 0.01744 -0.07883 0.03272 -0.02159 50 2PZ -0.16366 0.00505 -0.04916 -0.03624 -0.03556 51 3S 0.11105 1.02711 -2.10633 -0.18974 -1.45249 52 3PX 0.68050 -0.37052 0.61998 0.12032 0.55500 53 3PY 1.46887 0.34290 -0.58827 0.03476 -0.60833 54 3PZ -0.46009 0.21218 -0.71492 -0.05101 -0.45541 55 4XX -0.35289 0.04143 0.14031 -0.18801 -0.14996 56 4YY 0.64466 0.00414 -0.38785 -0.14226 -0.22116 57 4ZZ -0.26145 0.05634 0.35621 -0.15353 -0.10012 58 4XY -0.27741 -0.13564 -0.55056 -0.01526 -0.01979 59 4XZ 0.38720 -0.03622 0.02801 0.03911 0.07220 60 4YZ 0.31024 0.08239 0.45042 0.01224 0.04285 61 5 C 1S -0.00100 0.00434 -0.05713 -0.03378 0.00891 62 2S 0.02737 0.22682 0.08189 0.31085 -0.39549 63 2PX -0.17677 -0.01771 -0.08610 0.02376 -0.02795 64 2PY 0.40578 0.01744 -0.07883 -0.03272 -0.02159 65 2PZ 0.16366 -0.00505 0.04916 -0.03624 0.03556 66 3S -0.11105 -1.02711 2.10633 -0.18975 1.45249 67 3PX -0.68050 0.37052 -0.61998 0.12032 -0.55500 68 3PY 1.46887 0.34290 -0.58827 -0.03476 -0.60833 69 3PZ 0.46009 -0.21218 0.71492 -0.05101 0.45541 70 4XX 0.35289 -0.04143 -0.14031 -0.18801 0.14995 71 4YY -0.64466 -0.00414 0.38786 -0.14226 0.22115 72 4ZZ 0.26145 -0.05634 -0.35621 -0.15353 0.10012 73 4XY -0.27742 -0.13564 -0.55056 0.01526 -0.01979 74 4XZ -0.38720 0.03622 -0.02801 0.03911 -0.07220 75 4YZ 0.31024 0.08239 0.45042 -0.01224 0.04285 76 6 C 1S 0.00270 -0.00735 0.05161 0.01871 -0.02610 77 2S -0.22320 -0.37748 0.10012 -0.25476 0.58048 78 2PX -0.21130 0.01228 -0.17929 0.02143 -0.05976 79 2PY 0.14415 0.05429 0.05555 0.00596 -0.00031 80 2PZ 0.24010 -0.02619 0.11046 -0.02749 0.03782 81 3S -0.36149 0.85223 -1.91480 0.29260 -1.23106 82 3PX -0.85896 -0.08795 -0.11739 0.05153 0.08997 83 3PY -0.03531 -0.47478 0.86086 -0.18185 0.81112 84 3PZ 1.12978 0.03572 -0.21897 -0.07152 -0.20532 85 4XX -0.15726 0.07175 -0.09823 0.13841 -0.26056 86 4YY -0.04304 0.11070 0.46042 0.10324 -0.20076 87 4ZZ 0.17132 -0.02627 -0.34372 0.09652 -0.23203 88 4XY 0.39083 0.01010 -0.01688 -0.03130 0.01395 89 4XZ 0.17255 0.07757 0.44737 -0.01486 0.08636 90 4YZ -0.46131 -0.01152 -0.00065 0.04408 0.00809 91 7 H 1S -0.01796 -0.14796 0.05667 0.08760 -0.07016 92 2S -0.14514 -0.20837 0.09810 -0.04073 0.39995 93 8 H 1S 0.00031 -0.07471 -0.29566 0.03218 -0.00483 94 2S 0.02804 0.12662 -0.07931 -0.03818 -0.21910 95 9 H 1S -0.00031 0.07471 0.29566 0.03218 0.00483 96 2S -0.02804 -0.12662 0.07931 -0.03818 0.21909 97 10 H 1S 0.03108 -0.04428 -0.20523 -0.01768 0.00164 98 2S 0.00282 0.14010 -0.04759 0.08719 -0.23776 99 11 H 1S -0.03108 0.04428 0.20523 -0.01768 -0.00164 100 2S -0.00282 -0.14010 0.04759 0.08719 0.23776 101 12 H 1S 0.01796 0.14796 -0.05667 0.08760 0.07016 102 2S 0.14514 0.20837 -0.09810 -0.04073 -0.39995 103 13 C 1S 0.00107 -0.00690 -0.03689 0.06645 -0.01617 104 2S -0.06637 -0.19562 0.03009 -0.46046 -0.06817 105 2PX -0.03442 0.02769 0.02564 0.01902 0.03802 106 2PY -0.12632 -0.00895 0.05809 0.02751 0.01920 107 2PZ 0.12793 0.05869 -0.14383 0.00924 -0.03088 108 3S -0.24493 0.11499 1.19733 -0.20574 0.86962 109 3PX -0.09374 -0.34137 0.16182 -0.12588 0.03447 110 3PY -0.72617 -0.15691 -0.02052 -0.03485 -0.17295 111 3PZ 0.55366 -0.09811 -0.32351 0.00230 -0.47707 112 4XX -0.01171 0.01181 -0.20102 0.28854 -0.05233 113 4YY 0.36524 0.06427 -0.00090 0.24062 -0.00128 114 4ZZ -0.34540 0.00603 0.07847 0.24838 0.04216 115 4XY -0.04030 0.02396 0.06237 0.00049 -0.00708 116 4XZ 0.11560 -0.00296 0.01348 0.02081 -0.06512 117 4YZ 0.10586 -0.03793 -0.31209 0.00151 -0.01850 118 14 H 1S 0.00177 0.03760 -0.01601 -0.02329 0.01832 119 2S 0.00280 0.13848 -0.07832 0.11736 0.06006 120 15 H 1S 0.01114 -0.03979 0.04590 -0.01859 -0.10072 121 2S -0.00859 -0.10165 -0.09741 -0.03422 0.14546 122 16 C 1S -0.00107 0.00690 0.03689 0.06645 0.01617 123 2S 0.06637 0.19562 -0.03009 -0.46046 0.06818 124 2PX 0.03442 -0.02769 -0.02564 0.01902 -0.03802 125 2PY -0.12632 -0.00895 0.05809 -0.02751 0.01920 126 2PZ -0.12793 -0.05869 0.14383 0.00924 0.03088 127 3S 0.24493 -0.11499 -1.19733 -0.20574 -0.86962 128 3PX 0.09374 0.34137 -0.16182 -0.12588 -0.03447 129 3PY -0.72617 -0.15691 -0.02052 0.03486 -0.17295 130 3PZ -0.55366 0.09811 0.32351 0.00230 0.47707 131 4XX 0.01171 -0.01181 0.20102 0.28854 0.05232 132 4YY -0.36524 -0.06427 0.00090 0.24062 0.00128 133 4ZZ 0.34540 -0.00603 -0.07847 0.24838 -0.04216 134 4XY -0.04030 0.02396 0.06237 -0.00049 -0.00708 135 4XZ -0.11560 0.00296 -0.01348 0.02081 0.06512 136 4YZ 0.10586 -0.03793 -0.31209 -0.00151 -0.01850 137 17 H 1S -0.01114 0.03979 -0.04590 -0.01859 0.10072 138 2S 0.00859 0.10165 0.09741 -0.03422 -0.14546 139 18 H 1S -0.00177 -0.03760 0.01601 -0.02329 -0.01832 140 2S -0.00280 -0.13848 0.07832 0.11736 -0.06007 141 19 O 1S -0.00778 0.00148 -0.00815 -0.38222 0.40004 142 2S -0.14684 -0.41011 0.13691 -0.38936 0.57611 143 2PX 0.00763 0.00741 0.00147 -0.05580 0.07597 144 2PY 0.00949 -0.02958 0.00261 0.13502 -0.17063 145 2PZ -0.00772 -0.00938 0.00617 0.02059 -0.00403 146 3S 0.59132 1.45555 -0.41061 4.65343 -5.24236 147 3PX 0.06256 1.36965 -0.28372 0.18040 -0.81924 148 3PY -0.20473 0.03380 0.06799 -0.95534 0.82537 149 3PZ 0.02823 -0.98120 0.16715 -0.01608 0.39225 150 4XX 0.00151 0.50035 -0.12373 -1.23314 1.20340 151 4YY 0.04086 -0.38753 0.02804 -1.13385 1.25952 152 4ZZ -0.04667 0.13374 -0.04528 -1.29795 1.35581 153 4XY 0.04406 -0.42498 0.07250 0.03982 0.14548 154 4XZ -0.02100 -0.40038 0.06617 -0.08297 0.23281 155 4YZ -0.07271 0.38063 -0.05810 -0.08579 -0.07051 156 20 O 1S 0.00778 -0.00148 0.00815 -0.38222 -0.40004 157 2S 0.14684 0.41011 -0.13691 -0.38935 -0.57611 158 2PX -0.00763 -0.00741 -0.00147 -0.05580 -0.07597 159 2PY 0.00949 -0.02958 0.00261 -0.13502 -0.17063 160 2PZ 0.00772 0.00938 -0.00617 0.02059 0.00403 161 3S -0.59132 -1.45555 0.41061 4.65342 5.24238 162 3PX -0.06255 -1.36965 0.28372 0.18040 0.81924 163 3PY -0.20474 0.03380 0.06799 0.95534 0.82537 164 3PZ -0.02823 0.98120 -0.16715 -0.01608 -0.39225 165 4XX -0.00151 -0.50035 0.12373 -1.23314 -1.20340 166 4YY -0.04086 0.38753 -0.02804 -1.13384 -1.25952 167 4ZZ 0.04667 -0.13374 0.04528 -1.29795 -1.35581 168 4XY 0.04406 -0.42498 0.07250 -0.03982 0.14548 169 4XZ 0.02100 0.40038 -0.06617 -0.08297 -0.23281 170 4YZ -0.07271 0.38063 -0.05810 0.08579 -0.07051 171 21 C 1S 0.00000 0.00000 0.00000 -0.11844 0.00000 172 2S 0.00000 0.00000 0.00000 0.95164 0.00000 173 2PX 0.00000 0.00000 0.00000 -0.13759 0.00000 174 2PY -0.14717 0.36031 -0.02410 0.00000 0.06091 175 2PZ 0.00000 0.00000 0.00000 0.11876 0.00000 176 3S 0.00000 0.00000 0.00000 -2.06006 -0.00001 177 3PX 0.00000 0.00000 0.00000 -0.55643 0.00000 178 3PY -0.11067 0.80246 -0.11862 0.00000 0.41048 179 3PZ 0.00000 0.00000 0.00000 0.60124 0.00000 180 4XX 0.00000 0.00000 0.00000 -0.55723 0.00000 181 4YY 0.00000 0.00000 0.00000 -0.37555 0.00000 182 4ZZ 0.00000 0.00000 0.00000 -0.55298 0.00000 183 4XY -0.09556 0.36569 -0.03371 0.00000 -0.04188 184 4XZ 0.00000 0.00000 0.00000 0.05096 0.00000 185 4YZ 0.09442 -0.34630 0.03868 0.00000 0.11124 186 22 H 1S 0.00000 0.00000 0.00000 0.22974 0.00000 187 2S 0.00000 0.00000 0.00000 -0.03667 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.22760 0.00000 189 2S 0.00000 0.00000 0.00000 0.00601 0.00000 181 182 183 184 185 V V V V V Eigenvalues -- 4.12768 4.25201 4.26811 4.36204 4.37021 1 1 C 1S -0.19128 -0.07311 0.14498 0.25580 0.11795 2 2S 1.23010 0.54307 -0.63302 -1.30970 -0.92773 3 2PX 0.05214 0.01532 -0.00531 -0.01097 -0.03723 4 2PY -0.06975 -0.06629 -0.00619 0.03772 -0.08656 5 2PZ -0.03584 -0.00414 0.04878 0.08643 0.03191 6 3S 0.46744 -0.12321 -0.41146 -1.23936 -0.31614 7 3PX -0.05191 0.27416 -0.01861 -0.02021 0.32893 8 3PY 0.03777 0.04764 0.18479 -0.09210 -0.03832 9 3PZ -0.00229 -0.29370 -0.16536 -0.24566 0.02352 10 4XX -0.77668 -0.32389 0.50634 0.99729 0.55961 11 4YY -0.69152 -0.27539 0.44666 0.87295 0.64059 12 4ZZ -0.76246 -0.32116 0.52657 0.98232 0.51959 13 4XY 0.01172 0.00355 -0.02670 -0.04985 -0.03221 14 4XZ 0.01768 0.06140 0.00865 -0.06509 -0.00593 15 4YZ 0.00491 -0.02031 -0.00697 -0.00400 -0.00789 16 2 C 1S -0.19128 -0.07311 0.14498 0.25580 -0.11795 17 2S 1.23009 0.54307 -0.63302 -1.30973 0.92770 18 2PX 0.05214 0.01532 -0.00531 -0.01098 0.03723 19 2PY 0.06975 0.06629 0.00619 -0.03772 -0.08656 20 2PZ -0.03584 -0.00414 0.04878 0.08643 -0.03191 21 3S 0.46747 -0.12321 -0.41146 -1.23936 0.31611 22 3PX -0.05193 0.27416 -0.01861 -0.02021 -0.32893 23 3PY -0.03776 -0.04764 -0.18479 0.09210 -0.03832 24 3PZ -0.00227 -0.29370 -0.16536 -0.24566 -0.02353 25 4XX -0.77667 -0.32388 0.50634 0.99730 -0.55959 26 4YY -0.69151 -0.27538 0.44666 0.87297 -0.64057 27 4ZZ -0.76246 -0.32116 0.52657 0.98233 -0.51957 28 4XY -0.01172 -0.00355 0.02670 0.04985 -0.03221 29 4XZ 0.01768 0.06140 0.00865 -0.06509 0.00593 30 4YZ -0.00491 0.02031 0.00697 0.00400 -0.00789 31 3 C 1S -0.10991 -0.06741 -0.02806 -0.12703 -0.19381 32 2S 0.69607 0.34256 0.06276 0.55824 0.67703 33 2PX 0.05140 -0.09100 0.03145 0.00726 0.09421 34 2PY 0.04692 -0.05454 0.00650 -0.02416 -0.04397 35 2PZ -0.00557 0.10239 -0.00141 0.01736 -0.02711 36 3S 0.23776 0.50280 0.05762 0.67984 1.49640 37 3PX 0.03896 0.16184 -0.10891 -0.07508 0.08021 38 3PY 0.00504 0.15497 0.10808 0.10232 0.70503 39 3PZ -0.03949 -0.19928 0.06642 -0.13897 0.01784 40 4XX -0.38370 -0.31923 -0.05011 -0.40188 -0.61302 41 4YY -0.43500 -0.27918 -0.10363 -0.49473 -0.60502 42 4ZZ -0.33217 -0.22074 -0.01389 -0.40629 -0.54922 43 4XY 0.03497 -0.07464 -0.01688 -0.03140 0.05354 44 4XZ -0.07329 0.04747 -0.02937 0.03613 -0.13772 45 4YZ 0.00688 0.09564 0.01775 0.00654 -0.01178 46 4 C 1S -0.19903 0.26103 -0.08422 -0.04545 -0.23408 47 2S 1.35996 -1.42390 0.52361 0.31025 1.44025 48 2PX 0.01080 -0.10548 0.01625 -0.01667 0.05133 49 2PY 0.05855 -0.05469 0.03035 -0.00788 -0.17044 50 2PZ 0.00894 0.06995 0.00817 0.04119 -0.01014 51 3S 0.35621 -1.13020 0.30644 -0.08048 0.43252 52 3PX 0.04307 0.24739 -0.00191 0.07927 0.22250 53 3PY -0.02080 0.03261 -0.08946 0.01350 0.12385 54 3PZ -0.07006 -0.16170 -0.04691 -0.08662 -0.35814 55 4XX -0.78707 1.01487 -0.31829 -0.15082 -0.89782 56 4YY -0.73392 0.88772 -0.30558 -0.16362 -1.13789 57 4ZZ -0.78813 1.02398 -0.33789 -0.17334 -0.89956 58 4XY -0.00316 0.02559 -0.00041 0.02791 -0.02962 59 4XZ 0.01737 -0.02811 0.01095 -0.00840 0.00807 60 4YZ -0.00186 -0.03111 -0.00872 -0.04186 -0.00220 61 5 C 1S -0.19903 0.26103 -0.08422 -0.04546 0.23408 62 2S 1.35997 -1.42390 0.52361 0.31029 -1.44024 63 2PX 0.01080 -0.10548 0.01625 -0.01667 -0.05133 64 2PY -0.05855 0.05469 -0.03035 0.00789 -0.17044 65 2PZ 0.00894 0.06995 0.00817 0.04119 0.01014 66 3S 0.35619 -1.13020 0.30644 -0.08047 -0.43252 67 3PX 0.04307 0.24739 -0.00191 0.07928 -0.22250 68 3PY 0.02081 -0.03261 0.08946 -0.01350 0.12385 69 3PZ -0.07006 -0.16170 -0.04691 -0.08663 0.35814 70 4XX -0.78707 1.01487 -0.31830 -0.15084 0.89782 71 4YY -0.73393 0.88772 -0.30558 -0.16365 1.13788 72 4ZZ -0.78813 1.02398 -0.33789 -0.17336 0.89956 73 4XY 0.00316 -0.02559 0.00041 -0.02791 -0.02962 74 4XZ 0.01737 -0.02811 0.01095 -0.00840 -0.00807 75 4YZ 0.00186 0.03111 0.00872 0.04186 -0.00220 76 6 C 1S -0.10991 -0.06741 -0.02806 -0.12704 0.19380 77 2S 0.69606 0.34256 0.06277 0.55825 -0.67702 78 2PX 0.05140 -0.09100 0.03145 0.00726 -0.09421 79 2PY -0.04692 0.05454 -0.00650 0.02416 -0.04397 80 2PZ -0.00557 0.10239 -0.00141 0.01736 0.02711 81 3S 0.23777 0.50280 0.05762 0.67987 -1.49639 82 3PX 0.03896 0.16184 -0.10891 -0.07508 -0.08021 83 3PY -0.00505 -0.15497 -0.10808 -0.10234 0.70502 84 3PZ -0.03949 -0.19928 0.06642 -0.13897 -0.01785 85 4XX -0.38370 -0.31923 -0.05012 -0.40189 0.61301 86 4YY -0.43500 -0.27918 -0.10363 -0.49475 0.60501 87 4ZZ -0.33217 -0.22074 -0.01389 -0.40630 0.54921 88 4XY -0.03497 0.07464 0.01688 0.03140 0.05354 89 4XZ -0.07329 0.04747 -0.02937 0.03613 0.13772 90 4YZ -0.00688 -0.09564 -0.01775 -0.00654 -0.01178 91 7 H 1S 0.09944 0.01259 -0.08133 -0.07093 -0.08959 92 2S -0.18696 -0.17309 0.01672 0.20809 0.13724 93 8 H 1S 0.08717 -0.09950 0.02917 0.04031 0.06157 94 2S -0.18575 0.14616 -0.11996 -0.09054 -0.28248 95 9 H 1S 0.08717 -0.09950 0.02917 0.04032 -0.06157 96 2S -0.18576 0.14616 -0.11995 -0.09055 0.28248 97 10 H 1S 0.06191 0.03229 0.03190 0.04767 -0.07622 98 2S -0.09574 -0.01850 0.01559 -0.11197 -0.06936 99 11 H 1S 0.06191 0.03229 0.03190 0.04766 0.07622 100 2S -0.09574 -0.01850 0.01559 -0.11197 0.06936 101 12 H 1S 0.09943 0.01259 -0.08133 -0.07094 0.08958 102 2S -0.18696 -0.17309 0.01672 0.20810 -0.13724 103 13 C 1S -0.14567 -0.21545 -0.11494 -0.13172 0.11917 104 2S 0.90819 1.08786 0.64835 0.60533 -0.82017 105 2PX 0.00337 -0.01855 0.01039 0.04726 -0.01355 106 2PY -0.02245 -0.00013 -0.01532 0.01489 -0.03981 107 2PZ -0.01941 0.03379 0.03520 0.03760 -0.02207 108 3S 0.48747 0.94664 0.35418 0.53363 0.07865 109 3PX -0.01729 0.02356 -0.07093 -0.18573 0.21846 110 3PY 0.06771 0.06731 0.01887 0.02668 -0.13381 111 3PZ 0.08600 -0.04609 0.02122 -0.07441 -0.30262 112 4XX -0.57869 -0.82283 -0.44239 -0.48429 0.48349 113 4YY -0.50070 -0.70328 -0.39487 -0.42648 0.56247 114 4ZZ -0.56905 -0.80106 -0.46448 -0.45567 0.46919 115 4XY 0.00709 -0.00234 -0.00012 -0.00631 -0.01885 116 4XZ -0.00275 -0.01461 0.01210 -0.01367 0.02758 117 4YZ -0.01476 -0.01443 -0.00126 -0.04838 0.03770 118 14 H 1S 0.05450 0.05957 0.04205 0.05722 -0.08180 119 2S -0.17683 -0.22835 -0.07708 -0.01561 0.14866 120 15 H 1S 0.06196 0.06898 0.03405 0.02828 -0.03716 121 2S -0.18199 -0.21788 -0.14873 -0.26748 0.21407 122 16 C 1S -0.14567 -0.21545 -0.11494 -0.13171 -0.11917 123 2S 0.90819 1.08786 0.64835 0.60531 0.82019 124 2PX 0.00337 -0.01855 0.01039 0.04726 0.01355 125 2PY 0.02245 0.00013 0.01532 -0.01489 -0.03981 126 2PZ -0.01941 0.03379 0.03520 0.03760 0.02208 127 3S 0.48748 0.94664 0.35418 0.53363 -0.07863 128 3PX -0.01729 0.02356 -0.07093 -0.18573 -0.21847 129 3PY -0.06771 -0.06731 -0.01887 -0.02668 -0.13381 130 3PZ 0.08600 -0.04610 0.02122 -0.07441 0.30262 131 4XX -0.57869 -0.82283 -0.44238 -0.48427 -0.48351 132 4YY -0.50070 -0.70328 -0.39487 -0.42646 -0.56248 133 4ZZ -0.56905 -0.80106 -0.46448 -0.45566 -0.46920 134 4XY -0.00709 0.00234 0.00012 0.00631 -0.01885 135 4XZ -0.00275 -0.01461 0.01210 -0.01367 -0.02758 136 4YZ 0.01476 0.01443 0.00126 0.04838 0.03770 137 17 H 1S 0.06196 0.06898 0.03405 0.02828 0.03716 138 2S -0.18199 -0.21788 -0.14873 -0.26748 -0.21408 139 18 H 1S 0.05450 0.05957 0.04205 0.05722 0.08180 140 2S -0.17683 -0.22835 -0.07708 -0.01560 -0.14866 141 19 O 1S -0.01892 -0.09697 0.06211 -0.11345 -0.05526 142 2S -0.04195 -0.20521 -0.03613 -0.09086 -0.03459 143 2PX 0.03448 0.00232 -0.04229 -0.04605 -0.02270 144 2PY 0.00359 0.02748 -0.05069 0.07970 0.03102 145 2PZ -0.03321 -0.00121 0.03422 0.01606 0.02040 146 3S 0.27653 1.47842 -0.67431 1.52474 0.68523 147 3PX 0.02110 0.14841 -0.04649 0.11363 -0.04063 148 3PY -0.10404 -0.36463 -0.07396 -0.10061 -0.06048 149 3PZ 0.01849 -0.05703 0.08279 0.00384 -0.00987 150 4XX -0.00403 -0.26620 0.16922 -0.44024 -0.23251 151 4YY -0.07099 -0.25371 0.41466 -0.46439 -0.18872 152 4ZZ -0.03505 -0.31337 0.17544 -0.43513 -0.19913 153 4XY -0.04945 -0.01898 0.14328 -0.02007 0.03238 154 4XZ -0.06883 -0.07563 -0.01354 0.13458 0.04372 155 4YZ 0.02823 -0.01127 -0.14872 0.02479 -0.02477 156 20 O 1S -0.01892 -0.09697 0.06211 -0.11345 0.05526 157 2S -0.04194 -0.20521 -0.03613 -0.09086 0.03459 158 2PX 0.03448 0.00232 -0.04229 -0.04605 0.02269 159 2PY -0.00359 -0.02748 0.05069 -0.07970 0.03102 160 2PZ -0.03321 -0.00121 0.03422 0.01606 -0.02040 161 3S 0.27646 1.47842 -0.67431 1.52475 -0.68520 162 3PX 0.02109 0.14841 -0.04649 0.11362 0.04063 163 3PY 0.10403 0.36463 0.07396 0.10061 -0.06048 164 3PZ 0.01850 -0.05703 0.08279 0.00384 0.00987 165 4XX -0.00402 -0.26620 0.16922 -0.44025 0.23250 166 4YY -0.07098 -0.25371 0.41466 -0.46439 0.18871 167 4ZZ -0.03504 -0.31337 0.17544 -0.43513 0.19912 168 4XY 0.04945 0.01898 -0.14328 0.02007 0.03238 169 4XZ -0.06882 -0.07563 -0.01355 0.13458 -0.04372 170 4YZ -0.02823 0.01127 0.14872 -0.02479 -0.02477 171 21 C 1S 0.06727 -0.05220 -0.40605 0.21142 0.00000 172 2S -0.25851 0.36759 2.24916 -1.34909 -0.00001 173 2PX -0.00836 -0.05102 -0.11172 0.04488 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00149 175 2PZ 0.00500 0.06333 0.10705 -0.04126 0.00000 176 3S -0.67797 -0.51409 2.05252 -1.32764 -0.00001 177 3PX -0.13165 -0.20276 0.09273 0.02965 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 -0.14470 179 3PZ 0.09206 0.13829 -0.02566 -0.04805 0.00000 180 4XX 0.21291 -0.22232 -1.53802 0.88425 0.00001 181 4YY 0.23209 -0.21068 -1.73885 0.98637 0.00001 182 4ZZ 0.22402 -0.24155 -1.56266 0.85024 0.00001 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00712 184 4XZ 0.03893 0.03602 0.03275 -0.07872 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00641 186 22 H 1S 0.00028 0.06921 0.08071 -0.02110 0.00000 187 2S 0.12993 0.03798 -0.44936 0.33219 0.00000 188 23 H 1S 0.00423 0.05859 0.08718 -0.02326 0.00000 189 2S 0.07091 -0.04012 -0.42390 0.27721 0.00000 186 187 188 189 V V V V Eigenvalues -- 4.44855 4.48938 4.64964 4.87450 1 1 C 1S 0.00631 -0.17836 0.24163 -0.21135 2 2S 0.16534 0.98154 -0.91683 0.15183 3 2PX 0.00814 0.01937 0.00522 -0.08695 4 2PY 0.00337 0.09665 -0.10306 0.04914 5 2PZ -0.01512 -0.02679 0.11074 -0.04973 6 3S -0.34586 1.01640 -3.28349 5.19164 7 3PX -0.09564 0.41278 0.36040 -0.33749 8 3PY -0.12762 -0.07960 1.05933 -1.23560 9 3PZ -0.04670 -0.34439 -0.93869 1.67697 10 4XX -0.07576 -0.72300 0.85739 -0.48345 11 4YY -0.01740 -0.85070 0.97521 -0.67523 12 4ZZ -0.02164 -0.68697 0.83969 -0.56729 13 4XY -0.01694 0.02066 0.00858 -0.00885 14 4XZ -0.01705 0.07022 0.00945 -0.01513 15 4YZ -0.00893 -0.04287 0.04807 -0.04245 16 2 C 1S 0.00631 0.17836 -0.24163 0.21135 17 2S 0.16533 -0.98154 0.91683 -0.15183 18 2PX 0.00814 -0.01937 -0.00522 0.08695 19 2PY -0.00337 0.09665 -0.10306 0.04914 20 2PZ -0.01512 0.02679 -0.11074 0.04973 21 3S -0.34586 -1.01640 3.28349 -5.19165 22 3PX -0.09564 -0.41278 -0.36040 0.33749 23 3PY 0.12761 -0.07960 1.05933 -1.23560 24 3PZ -0.04670 0.34439 0.93869 -1.67697 25 4XX -0.07576 0.72300 -0.85739 0.48345 26 4YY -0.01740 0.85070 -0.97521 0.67523 27 4ZZ -0.02164 0.68697 -0.83970 0.56730 28 4XY 0.01694 0.02066 0.00858 -0.00885 29 4XZ -0.01705 -0.07022 -0.00945 0.01513 30 4YZ 0.00893 -0.04287 0.04807 -0.04245 31 3 C 1S -0.31022 0.01767 -0.06328 -0.39733 32 2S 1.68136 -0.20886 0.63546 0.86945 33 2PX -0.01699 0.06179 -0.02302 0.03926 34 2PY -0.09743 0.04325 -0.02358 -0.23825 35 2PZ 0.00165 -0.06095 0.02871 0.00257 36 3S 2.08462 -0.18119 0.58239 5.57633 37 3PX -0.10541 -0.23117 0.07567 -0.02216 38 3PY 0.20656 -0.16625 0.01717 2.17170 39 3PZ 0.09626 0.15240 0.18162 0.16676 40 4XX -1.20513 0.20745 -0.35221 -1.24852 41 4YY -1.18924 0.11226 -0.29723 -1.23892 42 4ZZ -1.30370 0.06083 -0.44320 -1.26357 43 4XY -0.03526 0.04979 0.04074 -0.05449 44 4XZ 0.10806 -0.04977 0.03867 0.08152 45 4YZ -0.01143 -0.09008 -0.02059 0.02981 46 4 C 1S 0.04282 -0.24218 0.03733 0.11021 47 2S -0.21231 1.19018 -0.29985 -0.33655 48 2PX -0.09758 0.08944 -0.01813 -0.05850 49 2PY -0.08020 -0.11209 0.02020 -0.02657 50 2PZ 0.08309 -0.06553 0.01298 0.07665 51 3S -0.59561 2.23788 -0.13802 -3.99593 52 3PX 0.15489 -0.42212 -0.08810 1.25045 53 3PY 0.05362 0.47961 0.09257 -0.81440 54 3PZ -0.11878 0.33636 0.07176 -1.24684 55 4XX 0.21918 -0.88230 0.17561 0.40020 56 4YY 0.18365 -1.09650 0.25471 0.47306 57 4ZZ 0.22476 -0.90364 0.16773 0.40653 58 4XY 0.10511 -0.05595 0.05224 0.12982 59 4XZ -0.07640 0.02438 -0.04122 -0.07581 60 4YZ -0.07636 0.05263 0.00127 -0.11044 61 5 C 1S 0.04282 0.24218 -0.03733 -0.11021 62 2S -0.21232 -1.19018 0.29985 0.33655 63 2PX -0.09758 -0.08944 0.01813 0.05850 64 2PY 0.08020 -0.11209 0.02020 -0.02657 65 2PZ 0.08309 0.06553 -0.01298 -0.07665 66 3S -0.59563 -2.23787 0.13802 3.99593 67 3PX 0.15489 0.42212 0.08810 -1.25045 68 3PY -0.05362 0.47961 0.09257 -0.81440 69 3PZ -0.11878 -0.33636 -0.07176 1.24684 70 4XX 0.21919 0.88230 -0.17560 -0.40020 71 4YY 0.18366 1.09650 -0.25471 -0.47306 72 4ZZ 0.22477 0.90364 -0.16773 -0.40653 73 4XY -0.10511 -0.05595 0.05224 0.12982 74 4XZ -0.07640 -0.02438 0.04122 0.07581 75 4YZ 0.07636 0.05263 0.00127 -0.11044 76 6 C 1S -0.31022 -0.01767 0.06328 0.39733 77 2S 1.68136 0.20885 -0.63545 -0.86946 78 2PX -0.01699 -0.06179 0.02302 -0.03926 79 2PY 0.09743 0.04325 -0.02358 -0.23825 80 2PZ 0.00165 0.06094 -0.02871 -0.00257 81 3S 2.08462 0.18117 -0.58239 -5.57633 82 3PX -0.10541 0.23117 -0.07566 0.02216 83 3PY -0.20656 -0.16625 0.01717 2.17170 84 3PZ 0.09626 -0.15240 -0.18162 -0.16677 85 4XX -1.20513 -0.20744 0.35220 1.24852 86 4YY -1.18924 -0.11226 0.29723 1.23892 87 4ZZ -1.30369 -0.06083 0.44320 1.26357 88 4XY 0.03526 0.04979 0.04074 -0.05449 89 4XZ 0.10806 0.04977 -0.03867 -0.08152 90 4YZ 0.01143 -0.09008 -0.02059 0.02981 91 7 H 1S 0.03107 -0.03386 -0.07909 -0.01540 92 2S 0.07584 -0.31716 -0.14407 0.19367 93 8 H 1S 0.00538 0.07287 -0.00561 -0.04269 94 2S 0.02412 -0.06608 0.11392 -0.30472 95 9 H 1S 0.00538 -0.07287 0.00561 0.04269 96 2S 0.02412 0.06608 -0.11392 0.30472 97 10 H 1S 0.05468 0.03349 -0.00482 -0.08320 98 2S -0.29998 0.04599 0.07291 -0.13427 99 11 H 1S 0.05468 -0.03349 0.00482 0.08320 100 2S -0.29998 -0.04599 -0.07291 0.13427 101 12 H 1S 0.03107 0.03386 0.07909 0.01540 102 2S 0.07584 0.31716 0.14407 -0.19367 103 13 C 1S 0.16793 -0.21053 -0.29788 -0.02104 104 2S -0.86738 1.00760 1.24072 0.07128 105 2PX 0.01013 -0.02445 0.02140 -0.03683 106 2PY 0.02353 0.03248 0.02925 -0.01345 107 2PZ -0.07697 0.03358 0.10517 -0.09485 108 3S -1.27535 1.69270 2.92543 2.19407 109 3PX -0.00802 0.11115 -0.25111 0.69975 110 3PY -0.12523 -0.16543 -0.45998 -0.12986 111 3PZ 0.23314 -0.09184 -0.38962 -0.65258 112 4XX 0.64183 -0.75618 -1.00217 -0.04236 113 4YY 0.57631 -0.86670 -1.18721 -0.08416 114 4ZZ 0.75172 -0.74112 -1.07427 -0.10632 115 4XY 0.02896 -0.02893 -0.00097 -0.03451 116 4XZ -0.05156 -0.00087 0.01516 0.05015 117 4YZ -0.09803 0.01055 0.07548 0.09366 118 14 H 1S -0.01387 -0.00441 0.00311 -0.14580 119 2S 0.13794 -0.27347 -0.14870 -0.16920 120 15 H 1S -0.01869 0.00394 -0.06359 -0.04795 121 2S 0.21764 -0.17496 -0.41157 0.18184 122 16 C 1S 0.16793 0.21053 0.29788 0.02104 123 2S -0.86738 -1.00760 -1.24072 -0.07128 124 2PX 0.01013 0.02445 -0.02140 0.03683 125 2PY -0.02353 0.03248 0.02925 -0.01345 126 2PZ -0.07697 -0.03358 -0.10517 0.09485 127 3S -1.27536 -1.69269 -2.92543 -2.19407 128 3PX -0.00802 -0.11115 0.25111 -0.69974 129 3PY 0.12523 -0.16543 -0.45998 -0.12985 130 3PZ 0.23314 0.09184 0.38962 0.65258 131 4XX 0.64183 0.75618 1.00217 0.04236 132 4YY 0.57631 0.86670 1.18721 0.08416 133 4ZZ 0.75172 0.74112 1.07427 0.10632 134 4XY -0.02896 -0.02893 -0.00097 -0.03451 135 4XZ -0.05156 0.00087 -0.01516 -0.05015 136 4YZ 0.09803 0.01054 0.07548 0.09366 137 17 H 1S -0.01869 -0.00394 0.06359 0.04795 138 2S 0.21764 0.17496 0.41157 -0.18184 139 18 H 1S -0.01387 0.00441 -0.00311 0.14580 140 2S 0.13794 0.27347 0.14870 0.16920 141 19 O 1S 0.02237 0.02129 -0.07048 0.15852 142 2S 0.01393 -0.04388 -0.12993 0.41030 143 2PX -0.00745 0.03174 -0.02760 0.06401 144 2PY -0.01804 -0.02826 0.03199 -0.06991 145 2PZ 0.01783 -0.00970 0.01486 -0.00948 146 3S -0.30026 -0.07607 1.41413 -3.01399 147 3PX 0.05699 0.15160 0.21142 -0.68371 148 3PY 0.08064 -0.00413 -0.18137 0.45739 149 3PZ -0.09209 -0.14392 -0.03800 0.20514 150 4XX 0.09187 0.15352 -0.24686 0.44254 151 4YY 0.09720 0.07904 -0.24810 0.51717 152 4ZZ 0.06802 0.10314 -0.25751 0.55316 153 4XY 0.02038 -0.06396 0.02900 0.03262 154 4XZ -0.02570 -0.09106 0.09141 0.00222 155 4YZ -0.01583 0.05792 -0.02231 0.00447 156 20 O 1S 0.02237 -0.02129 0.07048 -0.15852 157 2S 0.01393 0.04388 0.12993 -0.41030 158 2PX -0.00745 -0.03174 0.02760 -0.06401 159 2PY 0.01804 -0.02826 0.03199 -0.06991 160 2PZ 0.01783 0.00970 -0.01486 0.00948 161 3S -0.30027 0.07607 -1.41414 3.01399 162 3PX 0.05699 -0.15160 -0.21142 0.68371 163 3PY -0.08064 -0.00413 -0.18137 0.45739 164 3PZ -0.09208 0.14393 0.03800 -0.20514 165 4XX 0.09188 -0.15352 0.24686 -0.44254 166 4YY 0.09720 -0.07904 0.24810 -0.51717 167 4ZZ 0.06802 -0.10314 0.25751 -0.55316 168 4XY -0.02039 -0.06396 0.02900 0.03262 169 4XZ -0.02570 0.09106 -0.09141 -0.00222 170 4YZ 0.01583 0.05792 -0.02231 0.00447 171 21 C 1S -0.08856 0.00000 0.00000 0.00000 172 2S 0.39731 0.00000 0.00000 0.00000 173 2PX -0.04049 0.00000 0.00000 0.00000 174 2PY 0.00000 0.01239 -0.02392 0.07388 175 2PZ -0.00768 0.00000 0.00000 0.00000 176 3S 0.79233 0.00000 0.00000 0.00000 177 3PX 0.21494 0.00000 0.00000 0.00000 178 3PY 0.00000 0.15131 -0.07410 0.10253 179 3PZ 0.06637 0.00000 0.00000 0.00000 180 4XX -0.33182 0.00000 0.00000 0.00000 181 4YY -0.33318 0.00000 0.00000 0.00000 182 4ZZ -0.31746 0.00000 0.00000 0.00000 183 4XY 0.00000 0.01473 0.01885 0.00688 184 4XZ -0.00223 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00054 -0.02225 0.04355 186 22 H 1S -0.02598 0.00000 0.00000 0.00000 187 2S -0.23868 0.00000 0.00000 0.00000 188 23 H 1S 0.02024 0.00000 0.00000 0.00000 189 2S -0.02663 0.00000 0.00000 0.00000 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05255 2 2S -0.06339 0.33288 3 2PX -0.01203 0.01861 0.34621 4 2PY 0.00506 -0.01303 0.04015 0.43070 5 2PZ 0.01511 -0.02721 0.02220 -0.02892 0.37881 6 3S -0.17203 0.27248 0.09835 0.01738 -0.02415 7 3PX -0.01878 0.03666 0.16688 0.03758 0.08370 8 3PY 0.00736 -0.00397 0.05104 0.12293 0.01636 9 3PZ 0.00255 -0.01650 0.08140 0.01243 0.16316 10 4XX -0.01177 -0.01308 -0.01163 0.00701 0.01131 11 4YY -0.01725 -0.00102 0.00623 -0.01259 -0.00557 12 4ZZ -0.01571 -0.00410 0.00184 0.01309 -0.00482 13 4XY -0.00020 0.00034 0.00113 -0.00496 -0.01133 14 4XZ 0.00345 -0.00809 0.01110 -0.00916 -0.00702 15 4YZ 0.00424 -0.00860 -0.01262 -0.00768 0.00937 16 2 C 1S 0.01947 -0.04084 -0.01341 0.08014 -0.01090 17 2S -0.04084 0.07591 0.02567 -0.16581 0.01982 18 2PX -0.01341 0.02567 0.16092 0.01945 0.09936 19 2PY -0.08014 0.16581 -0.01945 -0.32465 -0.03386 20 2PZ -0.01090 0.01982 0.09936 0.03386 0.11877 21 3S 0.00180 0.02807 0.06625 -0.12945 0.07406 22 3PX -0.00344 0.00368 0.09437 0.01941 0.05074 23 3PY -0.00105 0.01885 -0.02434 -0.10079 -0.02187 24 3PZ -0.00661 0.01818 0.06393 0.03850 0.08162 25 4XX 0.00325 -0.00759 0.00048 0.01313 -0.00040 26 4YY -0.00653 0.01193 -0.00092 -0.00799 0.00075 27 4ZZ 0.00346 -0.00794 -0.00233 0.01007 -0.00379 28 4XY -0.00007 0.00037 0.01259 0.00563 0.00419 29 4XZ -0.00133 0.00307 0.00017 -0.00448 0.00034 30 4YZ 0.00081 -0.00171 0.00512 -0.00038 0.01435 31 3 C 1S -0.00096 0.00309 0.00602 -0.00166 0.00542 32 2S 0.00325 -0.00397 -0.01970 0.00257 -0.01607 33 2PX -0.00345 0.00801 0.00550 -0.02186 0.01141 34 2PY 0.00441 -0.00651 -0.00668 0.01611 -0.00646 35 2PZ -0.00066 0.00422 0.00167 -0.01217 0.00573 36 3S -0.00040 -0.00631 0.01556 0.00887 0.00403 37 3PX -0.00317 0.00581 0.01645 -0.01834 0.02242 38 3PY -0.00096 -0.00158 0.02125 0.00077 0.01483 39 3PZ -0.00133 0.00434 0.00020 -0.01980 -0.00082 40 4XX -0.00050 0.00121 0.00642 0.00219 0.00551 41 4YY -0.00011 0.00040 -0.00097 -0.00126 -0.00060 42 4ZZ 0.00057 -0.00090 -0.00319 -0.00002 -0.00255 43 4XY 0.00027 -0.00041 -0.00142 0.00057 -0.00099 44 4XZ -0.00026 0.00034 0.00302 0.00109 0.00228 45 4YZ 0.00015 -0.00011 -0.00055 0.00046 -0.00052 46 4 C 1S -0.00069 0.00058 0.00297 -0.00009 0.00128 47 2S 0.00137 -0.00173 -0.00820 -0.00136 -0.00390 48 2PX -0.01089 0.02273 0.07782 0.01163 0.05907 49 2PY 0.00262 -0.00401 -0.01577 -0.00430 -0.01022 50 2PZ -0.00738 0.01701 0.05629 0.01177 0.04328 51 3S 0.00207 0.00404 -0.03492 -0.00094 -0.02183 52 3PX -0.00808 0.01433 0.07600 0.01106 0.05769 53 3PY 0.00240 -0.00315 -0.02114 0.00159 -0.01045 54 3PZ -0.00513 0.01321 0.03845 0.01329 0.03310 55 4XX -0.00017 0.00011 0.00104 0.00105 0.00011 56 4YY -0.00007 0.00011 -0.00086 -0.00089 -0.00024 57 4ZZ -0.00009 0.00012 -0.00078 -0.00044 -0.00055 58 4XY -0.00015 0.00040 0.00032 0.00083 -0.00062 59 4XZ -0.00014 0.00022 0.00094 -0.00028 0.00048 60 4YZ -0.00012 0.00031 0.00042 0.00109 -0.00030 61 5 C 1S -0.00178 0.00265 0.00503 0.00170 0.00224 62 2S 0.00269 -0.00452 -0.01913 -0.00504 -0.00609 63 2PX -0.00920 0.02100 0.03137 0.01828 0.00582 64 2PY -0.00007 -0.00007 0.00231 0.00155 0.00214 65 2PZ -0.00379 0.01059 0.00561 0.01159 -0.00874 66 3S 0.00660 -0.01527 0.01133 -0.00914 -0.00464 67 3PX -0.00950 0.02241 0.02166 0.01859 0.01003 68 3PY 0.00149 -0.00030 -0.01372 -0.00229 -0.00720 69 3PZ -0.00354 0.00661 0.02091 0.01558 0.00056 70 4XX -0.00071 0.00088 0.00527 0.00107 0.00439 71 4YY 0.00004 -0.00016 -0.00263 -0.00085 -0.00130 72 4ZZ -0.00029 0.00024 -0.00291 -0.00015 -0.00243 73 4XY 0.00017 -0.00053 -0.00297 -0.00044 -0.00268 74 4XZ -0.00039 0.00088 0.00048 0.00018 -0.00039 75 4YZ 0.00066 -0.00094 -0.00435 -0.00114 -0.00363 76 6 C 1S -0.00194 0.00084 -0.00439 0.00057 -0.00772 77 2S 0.00260 -0.01172 0.00254 -0.00517 0.01091 78 2PX 0.00844 -0.01027 -0.10010 -0.02521 -0.08815 79 2PY 0.00428 -0.00288 -0.03475 -0.01767 -0.02313 80 2PZ 0.00245 -0.00673 -0.05651 -0.00963 -0.05946 81 3S 0.00479 0.00189 0.00880 0.00295 0.03435 82 3PX -0.00166 0.00230 -0.06595 -0.01542 -0.06245 83 3PY 0.00191 -0.00686 -0.01521 -0.00272 -0.01960 84 3PZ 0.00396 -0.00722 -0.05403 -0.01962 -0.05024 85 4XX -0.00149 0.00264 0.00496 0.00346 0.00291 86 4YY 0.00012 -0.00134 -0.00229 -0.00230 -0.00079 87 4ZZ -0.00031 -0.00051 -0.00005 0.00012 -0.00138 88 4XY -0.00016 0.00064 0.00256 -0.00041 0.00185 89 4XZ -0.00082 0.00233 0.00541 0.00262 0.00200 90 4YZ -0.00007 0.00042 0.00117 -0.00042 0.00099 91 7 H 1S -0.06820 0.13565 0.06570 0.16920 -0.19079 92 2S -0.02048 0.04650 0.03956 0.13844 -0.15453 93 8 H 1S -0.00005 -0.00019 -0.00044 0.00075 -0.00028 94 2S 0.00058 -0.00103 -0.00607 0.00444 -0.00384 95 9 H 1S -0.00015 -0.00040 0.00505 0.00069 0.00682 96 2S -0.00151 0.00011 0.01516 0.00607 0.00957 97 10 H 1S 0.00408 -0.00634 -0.01727 -0.01446 -0.00486 98 2S 0.00292 -0.00297 -0.02259 -0.01732 -0.01181 99 11 H 1S -0.00154 0.00206 -0.00479 -0.00970 -0.00401 100 2S -0.00261 0.00376 0.00464 -0.01643 0.00638 101 12 H 1S 0.01654 -0.03648 -0.00832 0.04030 0.00080 102 2S 0.02040 -0.04063 -0.02370 0.06419 0.00813 103 13 C 1S -0.00160 0.00232 0.00601 0.00138 0.00521 104 2S 0.00237 -0.00724 -0.01600 -0.00411 -0.01806 105 2PX -0.00275 0.00839 0.01449 0.00285 0.01389 106 2PY -0.00037 -0.00112 0.00147 0.00184 -0.00169 107 2PZ -0.00219 0.01167 0.01970 0.00129 0.01865 108 3S 0.00255 -0.00748 -0.01135 0.00174 -0.00088 109 3PX -0.00447 0.00430 0.01166 0.00523 -0.00415 110 3PY -0.00152 -0.00069 -0.00822 0.00237 -0.00976 111 3PZ -0.00310 0.00600 0.00175 -0.00097 0.00682 112 4XX -0.00041 0.00046 -0.00106 0.00006 -0.00134 113 4YY 0.00002 -0.00044 -0.00241 -0.00090 -0.00246 114 4ZZ -0.00071 0.00039 0.00460 0.00118 0.00367 115 4XY -0.00011 0.00043 0.00026 -0.00006 0.00017 116 4XZ -0.00080 0.00161 0.00572 0.00109 0.00603 117 4YZ -0.00005 0.00026 0.00064 0.00024 0.00063 118 14 H 1S -0.00263 0.00805 0.02531 0.00457 0.02413 119 2S -0.00281 0.01140 0.05156 0.00982 0.05074 120 15 H 1S 0.00211 -0.00547 -0.01758 -0.00282 -0.01902 121 2S 0.00286 -0.00626 -0.01629 -0.00553 -0.03806 122 16 C 1S -0.00135 0.00251 0.00749 0.00026 0.00676 123 2S 0.00331 -0.00446 -0.01643 -0.00226 -0.01383 124 2PX -0.00010 0.00034 -0.00553 -0.00294 -0.00340 125 2PY 0.00131 -0.00181 -0.00836 -0.00296 -0.00671 126 2PZ -0.00447 0.00621 0.02317 -0.00041 0.01780 127 3S 0.00485 -0.00904 -0.04192 0.00883 -0.03613 128 3PX 0.00199 -0.00102 -0.01622 -0.00246 -0.00600 129 3PY -0.00085 0.00100 -0.00751 -0.00146 -0.01048 130 3PZ -0.00127 0.00195 0.01814 -0.00012 0.01475 131 4XX -0.00017 0.00043 0.00142 -0.00011 0.00137 132 4YY 0.00005 -0.00014 -0.00112 -0.00098 -0.00090 133 4ZZ 0.00010 -0.00004 0.00045 0.00111 0.00048 134 4XY 0.00010 0.00004 0.00026 0.00047 0.00017 135 4XZ -0.00018 0.00024 0.00165 0.00062 0.00135 136 4YZ 0.00019 0.00007 -0.00050 -0.00021 -0.00023 137 17 H 1S 0.00009 0.00017 0.00264 0.00031 0.00232 138 2S -0.00157 0.00337 -0.00526 -0.00814 -0.00186 139 18 H 1S -0.00124 0.00104 0.00605 0.00206 0.00384 140 2S -0.00321 0.00341 0.02198 0.00740 0.01342 141 19 O 1S 0.00537 -0.00687 0.02953 -0.00841 -0.02341 142 2S -0.00988 0.01073 -0.06593 0.03094 0.05396 143 2PX -0.05683 0.12360 -0.16691 0.10826 0.18559 144 2PY 0.02548 -0.05166 0.09861 -0.03173 -0.06632 145 2PZ 0.03477 -0.06520 0.17837 -0.07011 -0.08073 146 3S 0.01404 -0.02641 -0.06857 -0.04043 0.04689 147 3PX -0.02658 0.06225 -0.10153 0.05728 0.09087 148 3PY 0.01946 -0.03879 0.07143 -0.02507 -0.04916 149 3PZ 0.01512 -0.02656 0.08268 -0.04075 -0.05660 150 4XX -0.00369 0.00604 0.00642 0.00823 0.00738 151 4YY -0.00126 0.00120 -0.00465 0.00050 0.00290 152 4ZZ -0.00089 0.00060 -0.00146 0.00487 -0.00969 153 4XY 0.00464 -0.00907 0.00889 0.00340 -0.01056 154 4XZ 0.00489 -0.00780 0.00431 -0.00310 0.00127 155 4YZ -0.00277 0.00505 -0.01130 -0.00410 0.00184 156 20 O 1S -0.00177 0.00495 -0.00445 -0.00162 0.00858 157 2S 0.00716 -0.01548 0.01396 0.01726 -0.01590 158 2PX 0.01256 -0.02728 -0.07076 0.03231 -0.04710 159 2PY 0.02271 -0.05458 0.02754 0.05833 -0.01347 160 2PZ 0.00200 -0.00190 -0.04870 -0.05122 -0.05767 161 3S -0.00338 -0.00397 0.01643 -0.03056 -0.06695 162 3PX 0.00941 -0.02046 -0.05943 0.01729 -0.04760 163 3PY 0.01410 -0.03728 0.01911 0.03997 -0.01436 164 3PZ 0.00235 -0.00388 -0.04772 -0.04114 -0.05144 165 4XX 0.00027 0.00014 0.00368 0.00416 0.00503 166 4YY 0.00139 -0.00234 0.00091 0.00258 0.00125 167 4ZZ 0.00102 -0.00120 -0.00256 0.00250 -0.00056 168 4XY -0.00070 0.00154 -0.00303 -0.00608 -0.00086 169 4XZ 0.00006 -0.00020 0.00117 0.00136 -0.00027 170 4YZ 0.00092 -0.00213 0.00170 0.00473 -0.00039 171 21 C 1S -0.00316 0.00630 -0.00913 -0.01013 0.00381 172 2S 0.00672 -0.01756 0.02192 0.03219 -0.01020 173 2PX 0.01114 -0.02806 0.02080 0.01616 -0.02271 174 2PY 0.00217 -0.00474 0.03531 -0.02089 -0.03815 175 2PZ -0.00866 0.02121 -0.03431 -0.02128 0.00269 176 3S 0.00988 -0.01226 0.04433 0.05398 -0.00799 177 3PX 0.00779 -0.01318 0.01209 0.01701 -0.01130 178 3PY 0.00139 -0.00393 0.03155 -0.00044 -0.03294 179 3PZ -0.00626 0.01180 -0.03279 -0.02176 -0.00869 180 4XX -0.00162 0.00400 -0.00735 0.00167 0.00610 181 4YY 0.00217 -0.00464 0.00888 -0.00517 -0.00718 182 4ZZ -0.00094 0.00176 -0.00479 0.00206 0.00340 183 4XY -0.00103 0.00239 -0.00015 -0.00067 0.00422 184 4XZ 0.00005 -0.00046 0.00443 0.00026 -0.00260 185 4YZ 0.00000 0.00012 0.00418 0.00250 0.00145 186 22 H 1S -0.00290 0.00541 -0.00916 0.00537 0.00813 187 2S -0.00329 0.00506 0.00164 0.00259 0.02478 188 23 H 1S -0.00481 0.01264 -0.02125 0.00579 0.01275 189 2S -0.00436 0.01309 -0.04173 -0.00555 0.00475 6 7 8 9 10 6 3S 0.30240 7 3PX 0.06512 0.10753 8 3PY -0.00108 0.03278 0.05313 9 3PZ 0.01250 0.06591 0.02381 0.09324 10 4XX -0.01110 -0.00269 0.00135 0.00336 0.00284 11 4YY -0.00002 -0.00019 -0.00171 -0.00081 -0.00081 12 4ZZ -0.00313 0.00075 0.00225 -0.00239 -0.00057 13 4XY 0.00070 -0.00125 -0.00301 -0.00445 -0.00068 14 4XZ -0.00261 0.00148 -0.00128 0.00019 -0.00036 15 4YZ -0.01358 -0.00464 -0.00212 0.00057 0.00059 16 2 C 1S 0.00180 -0.00344 0.00105 -0.00661 0.00325 17 2S 0.02807 0.00368 -0.01885 0.01818 -0.00759 18 2PX 0.06625 0.09437 0.02434 0.06393 0.00048 19 2PY 0.12945 -0.01941 -0.10079 -0.03850 -0.01313 20 2PZ 0.07406 0.05074 0.02187 0.08162 -0.00040 21 3S -0.02100 0.03376 0.01284 0.04415 -0.00418 22 3PX 0.03376 0.04459 0.01943 0.04239 0.00003 23 3PY -0.01284 -0.01943 -0.02620 -0.02098 -0.00386 24 3PZ 0.04415 0.04239 0.02098 0.04845 0.00090 25 4XX -0.00418 0.00003 0.00386 0.00090 0.00057 26 4YY 0.01065 0.00134 -0.00339 -0.00132 -0.00034 27 4ZZ -0.00858 -0.00231 0.00223 -0.00162 0.00024 28 4XY 0.00612 0.00720 0.00241 0.00480 -0.00016 29 4XZ 0.00378 0.00085 -0.00203 -0.00145 0.00000 30 4YZ -0.00373 0.00559 0.00309 0.00723 0.00047 31 3 C 1S -0.00390 0.00525 0.00344 0.00095 -0.00015 32 2S -0.01547 -0.01582 -0.00096 -0.01385 0.00009 33 2PX 0.01234 0.01447 -0.00298 0.02188 0.00100 34 2PY -0.04106 -0.00810 0.01500 -0.00944 0.00028 35 2PZ -0.01992 0.01702 0.01066 -0.00461 0.00082 36 3S -0.00131 0.00104 0.00791 0.00823 0.00048 37 3PX 0.00671 0.01960 0.00145 0.02259 0.00095 38 3PY -0.00008 0.01035 0.00611 0.01129 0.00073 39 3PZ -0.00728 0.00997 -0.00096 -0.00260 0.00042 40 4XX 0.00314 0.00457 0.00247 0.00448 0.00002 41 4YY 0.00159 -0.00070 -0.00134 -0.00045 -0.00003 42 4ZZ -0.00306 -0.00203 -0.00063 -0.00256 -0.00003 43 4XY -0.00029 -0.00087 0.00000 -0.00032 0.00001 44 4XZ 0.00172 0.00155 0.00055 0.00176 0.00002 45 4YZ -0.00055 -0.00013 0.00041 -0.00045 -0.00004 46 4 C 1S 0.00390 0.00129 -0.00151 0.00188 -0.00022 47 2S -0.00677 -0.00638 0.00183 -0.00093 0.00029 48 2PX 0.05257 0.05986 0.02888 0.04678 -0.00077 49 2PY -0.01291 -0.01205 -0.00198 -0.01428 0.00019 50 2PZ 0.03694 0.04004 0.02421 0.04463 0.00000 51 3S -0.01673 -0.01874 0.00030 -0.02370 -0.00099 52 3PX 0.04060 0.05288 0.02556 0.04984 0.00035 53 3PY -0.01633 -0.01493 0.00054 -0.01447 -0.00038 54 3PZ 0.02603 0.03147 0.01795 0.02776 0.00045 55 4XX 0.00024 -0.00003 0.00019 -0.00002 -0.00005 56 4YY 0.00068 -0.00029 -0.00078 -0.00031 0.00003 57 4ZZ -0.00088 -0.00002 0.00009 -0.00039 -0.00002 58 4XY 0.00199 -0.00069 0.00034 0.00057 -0.00023 59 4XZ 0.00100 0.00051 -0.00015 0.00056 -0.00002 60 4YZ 0.00083 -0.00006 0.00064 -0.00063 -0.00018 61 5 C 1S 0.00362 0.00660 0.00256 0.00154 -0.00079 62 2S -0.01131 -0.01009 -0.00680 -0.01149 0.00083 63 2PX 0.05397 0.00586 0.01975 0.02472 -0.00598 64 2PY -0.00009 0.00333 -0.00115 0.00222 -0.00039 65 2PZ 0.02765 -0.00106 0.01112 -0.00968 -0.00412 66 3S -0.00267 0.00189 -0.00725 0.00411 -0.00147 67 3PX 0.04287 0.00790 0.01495 0.01273 -0.00315 68 3PY -0.01053 -0.00921 -0.00065 -0.00996 -0.00123 69 3PZ 0.02491 0.00564 0.01187 0.00642 -0.00385 70 4XX 0.00169 0.00394 0.00085 0.00308 0.00026 71 4YY -0.00170 -0.00184 0.00011 -0.00116 -0.00010 72 4ZZ 0.00040 -0.00224 -0.00090 -0.00129 -0.00022 73 4XY -0.00083 -0.00266 -0.00134 -0.00150 -0.00008 74 4XZ 0.00036 0.00043 0.00057 -0.00028 -0.00007 75 4YZ -0.00243 -0.00313 -0.00123 -0.00358 -0.00014 76 6 C 1S 0.01939 0.00116 -0.00042 0.00289 -0.00166 77 2S -0.00897 -0.00240 -0.00592 0.00280 0.00291 78 2PX -0.03370 -0.06900 -0.01878 -0.07192 -0.00639 79 2PY -0.03756 -0.02650 0.00967 -0.01844 -0.00236 80 2PZ 0.01771 -0.05827 -0.01998 -0.02544 -0.00506 81 3S 0.00634 0.01131 0.00142 0.01277 0.00712 82 3PX -0.00810 -0.04892 -0.01364 -0.04703 -0.00462 83 3PY -0.01663 -0.01406 -0.00006 -0.01041 -0.00312 84 3PZ -0.00659 -0.04815 -0.01789 -0.03219 -0.00457 85 4XX 0.00472 0.00307 0.00193 0.00247 -0.00044 86 4YY -0.00364 -0.00184 0.00001 -0.00113 0.00003 87 4ZZ -0.00023 0.00014 -0.00089 -0.00026 0.00011 88 4XY 0.00142 0.00135 -0.00003 0.00168 -0.00002 89 4XZ 0.00285 0.00369 0.00203 0.00204 -0.00022 90 4YZ -0.00038 0.00132 0.00012 0.00000 0.00008 91 7 H 1S 0.13823 0.01463 0.04024 -0.06420 -0.01030 92 2S 0.05309 -0.00286 0.02942 -0.05324 -0.00710 93 8 H 1S -0.00200 0.00181 0.00061 -0.00424 -0.00016 94 2S -0.00662 -0.00104 0.00090 -0.00986 -0.00018 95 9 H 1S 0.00376 0.00141 -0.00192 0.01246 0.00035 96 2S 0.00975 0.00671 0.00049 0.01873 0.00029 97 10 H 1S -0.02949 -0.01403 0.00485 -0.00815 0.00033 98 2S -0.02847 -0.01789 0.00477 -0.01338 -0.00067 99 11 H 1S 0.02037 -0.00386 -0.01136 -0.00076 -0.00022 100 2S 0.02622 0.00368 -0.01246 0.00671 0.00028 101 12 H 1S -0.06701 0.00166 0.02500 0.00188 0.00286 102 2S -0.06605 -0.00133 0.02216 -0.00048 0.00382 103 13 C 1S 0.00606 0.00470 0.00098 0.00664 -0.00063 104 2S -0.00124 -0.01725 -0.01047 -0.00697 0.00056 105 2PX 0.00166 0.02394 0.00749 0.00779 -0.00092 106 2PY 0.00813 0.00042 -0.00131 0.00013 -0.00003 107 2PZ -0.01871 0.03174 0.02065 0.00120 -0.00036 108 3S 0.00820 -0.00614 -0.01294 0.00619 0.00265 109 3PX 0.00074 0.01151 0.00524 0.00038 -0.00163 110 3PY 0.00022 -0.00630 -0.00020 -0.00481 0.00103 111 3PZ -0.00599 0.01038 0.00827 -0.00123 0.00221 112 4XX 0.00009 -0.00074 0.00012 -0.00114 -0.00015 113 4YY -0.00193 -0.00187 -0.00015 -0.00175 -0.00006 114 4ZZ 0.00176 0.00343 0.00076 0.00268 0.00024 115 4XY 0.00003 0.00086 0.00052 0.00002 -0.00009 116 4XZ 0.00100 0.00534 0.00189 0.00366 0.00014 117 4YZ -0.00124 0.00131 0.00081 -0.00021 0.00006 118 14 H 1S -0.00338 0.03165 0.01293 0.01169 0.00042 119 2S 0.00315 0.05086 0.02065 0.02778 0.00044 120 15 H 1S -0.00477 -0.02014 -0.00649 -0.01303 -0.00031 121 2S -0.01426 -0.02387 -0.00532 -0.02556 -0.00458 122 16 C 1S 0.00525 0.00501 0.00098 0.00473 0.00003 123 2S -0.02179 -0.00780 0.00160 -0.01516 0.00002 124 2PX 0.00052 -0.01195 -0.00919 -0.00205 0.00010 125 2PY -0.00380 -0.01243 -0.00419 -0.00047 -0.00020 126 2PZ 0.04389 0.01016 -0.00923 0.02306 -0.00037 127 3S -0.04200 -0.02839 0.00534 -0.03138 -0.00109 128 3PX -0.00318 -0.01262 -0.00701 -0.00618 0.00047 129 3PY -0.00214 -0.00969 -0.00077 -0.00395 -0.00025 130 3PZ 0.02034 0.00942 -0.00151 0.01530 -0.00021 131 4XX 0.00139 0.00147 0.00037 0.00129 0.00000 132 4YY 0.00026 -0.00079 -0.00090 -0.00035 0.00006 133 4ZZ -0.00033 -0.00014 0.00036 -0.00008 0.00003 134 4XY -0.00040 0.00082 0.00055 -0.00005 -0.00005 135 4XZ 0.00187 0.00007 -0.00044 0.00093 -0.00004 136 4YZ -0.00163 0.00037 0.00061 -0.00080 -0.00002 137 17 H 1S 0.00046 0.00973 0.00532 0.00139 0.00007 138 2S 0.00730 0.00637 -0.00234 0.00015 0.00073 139 18 H 1S 0.01568 -0.00285 -0.00665 0.00496 -0.00012 140 2S 0.02780 0.00369 -0.00430 0.01380 0.00000 141 19 O 1S 0.03366 -0.00189 -0.00926 0.00881 -0.00408 142 2S -0.08566 0.00925 0.02010 -0.02161 0.01018 143 2PX 0.03605 -0.02842 0.01431 0.03341 -0.00967 144 2PY -0.06384 -0.00555 0.04340 -0.00081 -0.01246 145 2PZ -0.07379 0.06531 -0.02438 -0.03147 -0.02966 146 3S -0.14502 0.00223 0.00577 -0.03622 0.00914 147 3PX 0.00385 -0.02098 0.00216 0.00671 -0.00838 148 3PY -0.04535 -0.00214 0.02759 -0.00144 -0.00826 149 3PZ -0.04402 0.02604 -0.01819 -0.02934 -0.02041 150 4XX 0.00707 0.00484 0.00343 0.00474 -0.00053 151 4YY 0.00255 -0.00001 -0.00238 0.00049 0.00073 152 4ZZ 0.00268 -0.00309 0.00096 -0.00347 -0.00006 153 4XY -0.00459 0.00132 0.00224 -0.00177 0.00044 154 4XZ -0.00512 0.00089 -0.00065 0.00174 -0.00015 155 4YZ 0.00392 -0.00492 -0.00177 -0.00035 0.00104 156 20 O 1S -0.01912 0.00040 0.00866 0.00034 0.00017 157 2S 0.03953 0.00018 -0.01381 0.00415 -0.00013 158 2PX -0.05190 -0.06278 -0.00293 -0.01590 -0.00181 159 2PY -0.11865 -0.01225 0.07005 0.02566 -0.00128 160 2PZ -0.02259 -0.04580 -0.04206 -0.04491 -0.00149 161 3S 0.06992 -0.00817 -0.04760 -0.02587 -0.00333 162 3PX -0.04013 -0.05124 -0.00649 -0.02006 -0.00099 163 3PY -0.07832 -0.00944 0.04593 0.01465 -0.00137 164 3PZ -0.02364 -0.03962 -0.03260 -0.03818 -0.00131 165 4XX 0.00129 0.00203 0.00205 0.00335 -0.00005 166 4YY -0.00668 0.00009 0.00370 0.00190 0.00012 167 4ZZ -0.00190 -0.00056 0.00107 -0.00081 0.00028 168 4XY -0.00119 -0.00307 -0.00152 -0.00019 -0.00034 169 4XZ 0.00024 0.00084 -0.00009 -0.00043 0.00007 170 4YZ -0.00089 0.00049 0.00056 -0.00013 0.00012 171 21 C 1S 0.00669 -0.00601 -0.00710 0.00104 -0.00035 172 2S -0.01116 0.01085 0.01567 0.00197 0.00108 173 2PX -0.04028 0.01475 0.00225 -0.01111 0.00363 174 2PY 0.01438 0.02862 -0.02780 -0.02414 -0.00023 175 2PZ 0.03382 -0.02618 -0.00358 -0.00501 -0.00250 176 3S 0.00698 0.01790 0.02482 0.01203 -0.00051 177 3PX -0.01714 0.00544 0.00312 -0.00396 -0.00005 178 3PY 0.00616 0.00959 -0.00234 -0.00879 -0.00246 179 3PZ 0.00196 -0.02104 -0.01079 -0.01368 -0.00320 180 4XX 0.00032 -0.00299 -0.00046 0.00146 -0.00073 181 4YY -0.00421 0.00355 -0.00211 -0.00332 -0.00023 182 4ZZ 0.00360 -0.00142 0.00190 0.00199 0.00112 183 4XY 0.00110 0.00345 -0.00191 -0.00079 -0.00018 184 4XZ 0.00244 0.00084 0.00049 -0.00028 -0.00044 185 4YZ -0.00005 0.00061 0.00299 0.00240 -0.00103 186 22 H 1S 0.02077 -0.00569 0.00940 0.00564 0.00242 187 2S 0.03060 0.00485 0.01303 0.01768 0.00650 188 23 H 1S 0.00895 -0.01225 0.00075 0.00418 -0.00346 189 2S -0.00501 -0.02403 -0.00974 -0.00722 -0.00562 11 12 13 14 15 11 4YY 0.00124 12 4ZZ -0.00025 0.00166 13 4XY 0.00016 0.00042 0.00146 14 4XZ 0.00086 -0.00048 0.00038 0.00147 15 4YZ -0.00001 -0.00006 -0.00045 -0.00023 0.00192 16 2 C 1S -0.00653 0.00346 0.00007 -0.00133 -0.00081 17 2S 0.01193 -0.00794 -0.00037 0.00307 0.00171 18 2PX -0.00092 -0.00233 -0.01259 0.00017 -0.00512 19 2PY 0.00799 -0.01007 0.00563 0.00448 -0.00038 20 2PZ 0.00075 -0.00379 -0.00419 0.00034 -0.01435 21 3S 0.01065 -0.00858 -0.00612 0.00378 0.00373 22 3PX 0.00134 -0.00231 -0.00720 0.00085 -0.00559 23 3PY 0.00339 -0.00223 0.00241 0.00203 0.00309 24 3PZ -0.00132 -0.00162 -0.00480 -0.00145 -0.00723 25 4XX -0.00034 0.00024 0.00016 0.00000 -0.00047 26 4YY -0.00010 -0.00026 -0.00009 -0.00023 0.00007 27 4ZZ -0.00026 0.00074 -0.00004 -0.00019 0.00022 28 4XY 0.00009 0.00004 0.00000 0.00036 -0.00055 29 4XZ -0.00023 -0.00019 -0.00036 0.00004 0.00017 30 4YZ -0.00007 -0.00022 -0.00055 -0.00017 0.00062 31 3 C 1S 0.00008 -0.00011 0.00037 0.00016 0.00043 32 2S -0.00002 0.00080 -0.00017 -0.00052 -0.00030 33 2PX -0.00029 -0.00016 0.00560 0.00162 0.00505 34 2PY -0.00010 0.00085 -0.00231 -0.00076 -0.00154 35 2PZ -0.00048 0.00001 0.00325 0.00149 0.00330 36 3S 0.00091 -0.00076 -0.00075 0.00094 -0.00172 37 3PX 0.00000 -0.00059 0.00378 0.00169 0.00388 38 3PY 0.00033 -0.00107 -0.00101 0.00101 -0.00112 39 3PZ -0.00013 -0.00013 0.00331 0.00148 0.00305 40 4XX 0.00001 -0.00011 -0.00023 0.00002 -0.00021 41 4YY 0.00000 0.00000 0.00013 0.00001 0.00009 42 4ZZ -0.00004 0.00012 -0.00002 -0.00009 0.00009 43 4XY -0.00002 0.00007 0.00010 -0.00005 0.00009 44 4XZ 0.00003 -0.00008 -0.00023 -0.00002 -0.00015 45 4YZ -0.00001 0.00007 0.00004 0.00000 0.00003 46 4 C 1S -0.00006 -0.00029 -0.00007 0.00015 -0.00021 47 2S 0.00020 0.00039 0.00073 -0.00017 0.00063 48 2PX 0.00040 -0.00168 -0.00112 0.00113 -0.00166 49 2PY 0.00036 0.00028 0.00003 -0.00034 0.00047 50 2PZ 0.00041 -0.00081 0.00003 0.00071 -0.00061 51 3S -0.00034 0.00145 -0.00062 -0.00230 0.00015 52 3PX 0.00066 -0.00195 -0.00072 0.00173 -0.00124 53 3PY 0.00015 0.00056 -0.00100 -0.00120 -0.00023 54 3PZ -0.00027 -0.00077 -0.00075 -0.00001 -0.00098 55 4XX 0.00002 -0.00002 -0.00027 -0.00005 -0.00026 56 4YY 0.00000 -0.00001 0.00012 0.00001 0.00010 57 4ZZ -0.00001 0.00004 0.00015 0.00003 0.00014 58 4XY 0.00009 0.00008 -0.00017 -0.00010 -0.00022 59 4XZ 0.00003 -0.00004 0.00000 0.00003 0.00001 60 4YZ 0.00004 0.00003 -0.00028 -0.00011 -0.00028 61 5 C 1S -0.00013 -0.00029 0.00016 0.00048 -0.00029 62 2S -0.00023 0.00012 -0.00026 -0.00093 0.00044 63 2PX 0.00212 0.00135 -0.00434 -0.00196 -0.00517 64 2PY -0.00021 -0.00021 -0.00101 -0.00047 -0.00091 65 2PZ 0.00109 0.00082 -0.00386 -0.00187 -0.00430 66 3S 0.00113 0.00123 0.00143 0.00108 0.00187 67 3PX 0.00074 0.00017 -0.00423 -0.00206 -0.00491 68 3PY 0.00027 0.00052 -0.00158 -0.00124 -0.00049 69 3PZ 0.00119 0.00131 -0.00243 -0.00098 -0.00297 70 4XX -0.00010 -0.00016 0.00005 0.00017 0.00001 71 4YY 0.00008 0.00007 0.00004 -0.00010 0.00007 72 4ZZ 0.00001 0.00017 -0.00002 -0.00012 0.00000 73 4XY 0.00001 0.00011 -0.00003 -0.00007 -0.00001 74 4XZ 0.00004 -0.00001 0.00000 -0.00003 -0.00008 75 4YZ 0.00004 0.00009 -0.00001 -0.00009 0.00002 76 6 C 1S -0.00015 0.00005 -0.00065 -0.00087 -0.00069 77 2S -0.00072 -0.00093 0.00175 0.00215 0.00189 78 2PX 0.00200 0.00300 -0.00232 -0.00444 -0.00161 79 2PY 0.00233 0.00031 0.00081 -0.00155 0.00050 80 2PZ 0.00114 0.00308 -0.00135 -0.00101 -0.00103 81 3S -0.00221 -0.00432 -0.00026 0.00174 -0.00001 82 3PX 0.00123 0.00194 -0.00166 -0.00304 -0.00253 83 3PY 0.00109 0.00251 0.00187 -0.00075 0.00115 84 3PZ 0.00142 0.00257 -0.00108 -0.00144 0.00021 85 4XX 0.00004 0.00018 -0.00038 -0.00023 -0.00043 86 4YY 0.00015 -0.00003 0.00013 0.00003 0.00015 87 4ZZ -0.00007 0.00003 0.00018 0.00010 0.00011 88 4XY 0.00001 -0.00004 -0.00002 0.00009 -0.00003 89 4XZ 0.00004 0.00003 -0.00006 -0.00003 -0.00023 90 4YZ -0.00001 -0.00010 0.00001 0.00000 -0.00001 91 7 H 1S -0.00133 0.00728 0.00491 -0.00219 -0.01375 92 2S -0.00114 0.00781 0.00503 -0.00106 -0.00999 93 8 H 1S -0.00019 -0.00006 -0.00041 -0.00004 -0.00040 94 2S -0.00042 0.00012 -0.00102 -0.00048 -0.00077 95 9 H 1S -0.00008 0.00003 -0.00004 -0.00002 0.00023 96 2S -0.00018 0.00021 0.00046 0.00056 0.00024 97 10 H 1S 0.00113 -0.00055 0.00137 0.00012 0.00127 98 2S 0.00161 -0.00050 0.00017 -0.00046 0.00062 99 11 H 1S 0.00017 -0.00023 0.00116 0.00024 0.00057 100 2S 0.00015 -0.00083 0.00147 0.00089 0.00104 101 12 H 1S 0.00067 0.00200 -0.00225 -0.00135 0.00732 102 2S -0.00248 0.00396 -0.00105 -0.00287 0.00649 103 13 C 1S 0.00003 -0.00062 -0.00037 -0.00066 -0.00023 104 2S -0.00028 0.00051 0.00055 0.00101 0.00046 105 2PX 0.00017 -0.00050 0.00007 -0.00114 0.00049 106 2PY -0.00039 -0.00048 -0.00037 0.00007 -0.00025 107 2PZ 0.00086 -0.00154 -0.00068 -0.00209 -0.00104 108 3S -0.00173 0.00031 0.00252 0.00127 0.00140 109 3PX 0.00055 0.00056 0.00074 -0.00019 0.00029 110 3PY -0.00030 -0.00096 -0.00040 0.00011 -0.00086 111 3PZ -0.00003 -0.00250 -0.00078 -0.00054 -0.00121 112 4XX 0.00004 0.00005 -0.00009 -0.00012 -0.00013 113 4YY 0.00009 0.00005 0.00006 -0.00001 0.00004 114 4ZZ -0.00008 -0.00017 0.00003 0.00016 0.00000 115 4XY 0.00002 0.00000 0.00001 -0.00005 0.00000 116 4XZ -0.00004 -0.00017 -0.00001 -0.00002 0.00001 117 4YZ -0.00002 -0.00005 -0.00004 -0.00003 -0.00004 118 14 H 1S -0.00006 -0.00121 -0.00009 -0.00067 -0.00002 119 2S -0.00015 -0.00139 -0.00071 -0.00051 -0.00017 120 15 H 1S 0.00002 0.00078 -0.00019 0.00020 -0.00044 121 2S 0.00153 0.00305 -0.00009 -0.00037 0.00013 122 16 C 1S -0.00008 -0.00049 -0.00020 0.00000 -0.00011 123 2S 0.00002 0.00104 0.00069 0.00019 0.00086 124 2PX 0.00039 -0.00049 -0.00069 -0.00064 -0.00045 125 2PY 0.00053 0.00051 -0.00008 -0.00001 -0.00028 126 2PZ 0.00052 -0.00123 -0.00080 -0.00047 -0.00108 127 3S 0.00032 0.00204 0.00000 -0.00124 -0.00020 128 3PX -0.00016 -0.00013 -0.00060 -0.00079 0.00027 129 3PY 0.00050 0.00008 -0.00040 -0.00020 -0.00075 130 3PZ 0.00046 -0.00077 -0.00015 0.00018 -0.00030 131 4XX 0.00000 -0.00004 0.00007 0.00003 0.00007 132 4YY -0.00001 -0.00001 0.00012 0.00006 0.00013 133 4ZZ -0.00001 -0.00004 -0.00024 -0.00009 -0.00020 134 4XY -0.00002 0.00004 0.00000 -0.00003 0.00001 135 4XZ 0.00006 -0.00010 -0.00029 -0.00008 -0.00030 136 4YZ 0.00002 0.00001 0.00005 -0.00005 0.00005 137 17 H 1S -0.00031 0.00031 0.00088 0.00045 0.00090 138 2S -0.00071 0.00002 0.00118 0.00037 0.00185 139 18 H 1S 0.00033 -0.00055 -0.00128 -0.00051 -0.00126 140 2S 0.00033 -0.00110 -0.00256 -0.00036 -0.00282 141 19 O 1S 0.00187 -0.00015 0.00472 0.00482 -0.00418 142 2S -0.00416 0.00085 -0.01094 -0.01112 0.00916 143 2PX -0.00837 0.01393 -0.00470 -0.02047 0.01403 144 2PY 0.01669 -0.00483 -0.01114 0.01396 0.00988 145 2PZ 0.00733 0.02319 0.01508 0.00360 0.00086 146 3S -0.00037 -0.00054 -0.01372 -0.00833 0.01643 147 3PX -0.00484 0.01121 -0.00028 -0.01239 0.00876 148 3PY 0.01109 -0.00302 -0.00645 0.00952 0.00552 149 3PZ 0.00453 0.01586 0.00910 0.00057 0.00238 150 4XX -0.00009 0.00032 -0.00036 -0.00026 -0.00009 151 4YY -0.00086 0.00021 0.00086 -0.00067 -0.00082 152 4ZZ 0.00012 -0.00011 0.00000 0.00029 -0.00035 153 4XY 0.00033 -0.00031 0.00003 0.00095 -0.00054 154 4XZ 0.00020 0.00014 0.00023 0.00045 0.00007 155 4YZ -0.00016 -0.00112 -0.00036 -0.00013 0.00011 156 20 O 1S -0.00113 -0.00041 -0.00019 -0.00019 0.00025 157 2S 0.00172 0.00103 0.00005 0.00040 -0.00048 158 2PX 0.00322 0.00311 0.00571 -0.00061 -0.00497 159 2PY 0.00525 0.00022 0.00352 0.00129 -0.00300 160 2PZ -0.00191 0.00376 -0.00395 -0.00219 0.00360 161 3S 0.00284 0.00163 0.00090 0.00219 -0.00023 162 3PX 0.00166 0.00235 0.00407 -0.00033 -0.00223 163 3PY 0.00393 0.00031 0.00219 0.00114 -0.00193 164 3PZ -0.00071 0.00283 -0.00122 -0.00133 0.00308 165 4XX 0.00009 -0.00001 -0.00046 -0.00004 -0.00020 166 4YY 0.00005 0.00004 0.00039 -0.00013 -0.00029 167 4ZZ -0.00010 -0.00004 -0.00010 0.00003 0.00046 168 4XY 0.00045 -0.00018 0.00033 0.00009 -0.00023 169 4XZ -0.00027 0.00014 -0.00002 -0.00007 -0.00020 170 4YZ -0.00028 0.00037 -0.00037 -0.00016 -0.00002 171 21 C 1S 0.00097 -0.00113 -0.00146 0.00001 0.00168 172 2S -0.00241 0.00264 0.00346 -0.00075 -0.00394 173 2PX -0.00310 0.00371 0.00387 -0.00315 -0.00431 174 2PY -0.00266 0.00408 0.00847 -0.00029 -0.00716 175 2PZ 0.00292 -0.00353 -0.00433 0.00326 0.00376 176 3S -0.00182 0.00211 0.00259 0.00119 -0.00486 177 3PX -0.00128 0.00287 0.00192 -0.00119 -0.00177 178 3PY 0.00101 0.00153 0.00349 0.00166 -0.00356 179 3PZ 0.00132 0.00096 -0.00042 -0.00022 0.00289 180 4XX -0.00007 0.00058 0.00016 -0.00060 0.00033 181 4YY 0.00019 0.00040 0.00003 0.00024 0.00008 182 4ZZ -0.00013 -0.00110 -0.00034 0.00016 -0.00022 183 4XY -0.00054 0.00069 0.00038 -0.00063 0.00005 184 4XZ 0.00030 -0.00005 -0.00031 0.00052 0.00015 185 4YZ 0.00052 0.00028 -0.00013 0.00022 0.00040 186 22 H 1S 0.00013 -0.00360 -0.00183 0.00183 -0.00070 187 2S 0.00011 -0.00765 -0.00380 0.00289 -0.00148 188 23 H 1S 0.00043 0.00137 0.00038 -0.00037 0.00170 189 2S 0.00070 0.00375 0.00106 -0.00177 0.00353 16 17 18 19 20 16 2 C 1S 2.05255 17 2S -0.06339 0.33288 18 2PX -0.01203 0.01861 0.34621 19 2PY -0.00506 0.01303 -0.04015 0.43070 20 2PZ 0.01511 -0.02721 0.02220 0.02892 0.37881 21 3S -0.17203 0.27248 0.09835 -0.01738 -0.02415 22 3PX -0.01878 0.03666 0.16688 -0.03758 0.08370 23 3PY -0.00736 0.00397 -0.05104 0.12293 -0.01636 24 3PZ 0.00255 -0.01650 0.08140 -0.01243 0.16316 25 4XX -0.01177 -0.01308 -0.01163 -0.00701 0.01131 26 4YY -0.01725 -0.00102 0.00623 0.01259 -0.00557 27 4ZZ -0.01571 -0.00410 0.00184 -0.01309 -0.00482 28 4XY 0.00020 -0.00034 -0.00113 -0.00496 0.01133 29 4XZ 0.00345 -0.00809 0.01110 0.00916 -0.00702 30 4YZ -0.00424 0.00860 0.01262 -0.00768 -0.00937 31 3 C 1S -0.00194 0.00084 -0.00439 -0.00057 -0.00772 32 2S 0.00260 -0.01172 0.00254 0.00517 0.01091 33 2PX 0.00844 -0.01027 -0.10010 0.02521 -0.08815 34 2PY -0.00428 0.00288 0.03475 -0.01767 0.02313 35 2PZ 0.00245 -0.00673 -0.05651 0.00963 -0.05946 36 3S 0.00479 0.00189 0.00880 -0.00295 0.03435 37 3PX -0.00166 0.00230 -0.06595 0.01542 -0.06245 38 3PY -0.00191 0.00686 0.01521 -0.00272 0.01960 39 3PZ 0.00396 -0.00722 -0.05403 0.01962 -0.05024 40 4XX -0.00149 0.00264 0.00496 -0.00346 0.00291 41 4YY 0.00012 -0.00134 -0.00229 0.00230 -0.00079 42 4ZZ -0.00031 -0.00051 -0.00005 -0.00012 -0.00138 43 4XY 0.00016 -0.00064 -0.00256 -0.00041 -0.00185 44 4XZ -0.00082 0.00233 0.00541 -0.00262 0.00200 45 4YZ 0.00007 -0.00042 -0.00117 -0.00042 -0.00099 46 4 C 1S -0.00178 0.00265 0.00503 -0.00170 0.00224 47 2S 0.00269 -0.00452 -0.01913 0.00504 -0.00609 48 2PX -0.00920 0.02100 0.03137 -0.01828 0.00582 49 2PY 0.00007 0.00007 -0.00231 0.00155 -0.00214 50 2PZ -0.00379 0.01059 0.00561 -0.01159 -0.00874 51 3S 0.00660 -0.01527 0.01133 0.00914 -0.00464 52 3PX -0.00950 0.02241 0.02166 -0.01859 0.01003 53 3PY -0.00149 0.00030 0.01372 -0.00229 0.00720 54 3PZ -0.00354 0.00661 0.02091 -0.01558 0.00056 55 4XX -0.00071 0.00088 0.00527 -0.00107 0.00439 56 4YY 0.00004 -0.00016 -0.00263 0.00085 -0.00130 57 4ZZ -0.00029 0.00024 -0.00291 0.00015 -0.00243 58 4XY -0.00017 0.00053 0.00297 -0.00044 0.00268 59 4XZ -0.00039 0.00088 0.00048 -0.00018 -0.00039 60 4YZ -0.00066 0.00094 0.00435 -0.00114 0.00363 61 5 C 1S -0.00069 0.00058 0.00297 0.00009 0.00128 62 2S 0.00137 -0.00173 -0.00820 0.00136 -0.00390 63 2PX -0.01089 0.02273 0.07782 -0.01163 0.05907 64 2PY -0.00262 0.00401 0.01577 -0.00430 0.01022 65 2PZ -0.00738 0.01701 0.05629 -0.01177 0.04328 66 3S 0.00207 0.00404 -0.03492 0.00095 -0.02183 67 3PX -0.00808 0.01433 0.07600 -0.01106 0.05769 68 3PY -0.00240 0.00315 0.02114 0.00159 0.01045 69 3PZ -0.00513 0.01321 0.03845 -0.01329 0.03310 70 4XX -0.00017 0.00011 0.00104 -0.00105 0.00011 71 4YY -0.00007 0.00011 -0.00086 0.00089 -0.00024 72 4ZZ -0.00009 0.00012 -0.00078 0.00044 -0.00055 73 4XY 0.00015 -0.00040 -0.00032 0.00083 0.00062 74 4XZ -0.00014 0.00022 0.00094 0.00028 0.00048 75 4YZ 0.00012 -0.00031 -0.00042 0.00109 0.00030 76 6 C 1S -0.00096 0.00309 0.00602 0.00166 0.00542 77 2S 0.00325 -0.00397 -0.01970 -0.00257 -0.01607 78 2PX -0.00345 0.00801 0.00550 0.02186 0.01141 79 2PY -0.00441 0.00651 0.00668 0.01611 0.00646 80 2PZ -0.00066 0.00422 0.00167 0.01217 0.00573 81 3S -0.00040 -0.00631 0.01556 -0.00887 0.00403 82 3PX -0.00317 0.00581 0.01645 0.01834 0.02242 83 3PY 0.00096 0.00158 -0.02125 0.00077 -0.01483 84 3PZ -0.00133 0.00434 0.00020 0.01980 -0.00082 85 4XX -0.00050 0.00121 0.00642 -0.00219 0.00551 86 4YY -0.00011 0.00040 -0.00097 0.00126 -0.00060 87 4ZZ 0.00057 -0.00090 -0.00319 0.00002 -0.00255 88 4XY -0.00027 0.00041 0.00142 0.00057 0.00099 89 4XZ -0.00026 0.00034 0.00302 -0.00109 0.00228 90 4YZ -0.00015 0.00011 0.00055 0.00046 0.00052 91 7 H 1S 0.01654 -0.03648 -0.00832 -0.04030 0.00080 92 2S 0.02040 -0.04063 -0.02370 -0.06419 0.00813 93 8 H 1S -0.00015 -0.00040 0.00505 -0.00069 0.00682 94 2S -0.00151 0.00011 0.01516 -0.00607 0.00957 95 9 H 1S -0.00005 -0.00019 -0.00044 -0.00075 -0.00028 96 2S 0.00058 -0.00103 -0.00607 -0.00444 -0.00384 97 10 H 1S -0.00154 0.00206 -0.00479 0.00970 -0.00401 98 2S -0.00261 0.00376 0.00464 0.01643 0.00638 99 11 H 1S 0.00408 -0.00634 -0.01727 0.01446 -0.00486 100 2S 0.00292 -0.00297 -0.02259 0.01732 -0.01181 101 12 H 1S -0.06820 0.13565 0.06570 -0.16920 -0.19079 102 2S -0.02048 0.04650 0.03956 -0.13844 -0.15453 103 13 C 1S -0.00135 0.00251 0.00749 -0.00026 0.00676 104 2S 0.00331 -0.00446 -0.01643 0.00226 -0.01383 105 2PX -0.00010 0.00034 -0.00553 0.00294 -0.00340 106 2PY -0.00131 0.00181 0.00836 -0.00296 0.00671 107 2PZ -0.00447 0.00621 0.02317 0.00041 0.01780 108 3S 0.00485 -0.00904 -0.04192 -0.00883 -0.03613 109 3PX 0.00199 -0.00102 -0.01622 0.00246 -0.00600 110 3PY 0.00085 -0.00100 0.00751 -0.00146 0.01048 111 3PZ -0.00127 0.00195 0.01814 0.00012 0.01475 112 4XX -0.00017 0.00043 0.00142 0.00011 0.00137 113 4YY 0.00005 -0.00014 -0.00112 0.00098 -0.00090 114 4ZZ 0.00010 -0.00004 0.00045 -0.00111 0.00048 115 4XY -0.00010 -0.00004 -0.00026 0.00047 -0.00017 116 4XZ -0.00018 0.00024 0.00165 -0.00062 0.00135 117 4YZ -0.00019 -0.00007 0.00050 -0.00021 0.00023 118 14 H 1S -0.00124 0.00104 0.00605 -0.00206 0.00384 119 2S -0.00321 0.00341 0.02198 -0.00740 0.01342 120 15 H 1S 0.00009 0.00017 0.00264 -0.00031 0.00232 121 2S -0.00157 0.00337 -0.00526 0.00814 -0.00186 122 16 C 1S -0.00160 0.00232 0.00601 -0.00138 0.00521 123 2S 0.00237 -0.00724 -0.01600 0.00411 -0.01806 124 2PX -0.00275 0.00839 0.01449 -0.00285 0.01389 125 2PY 0.00037 0.00112 -0.00147 0.00184 0.00169 126 2PZ -0.00219 0.01167 0.01970 -0.00129 0.01865 127 3S 0.00255 -0.00748 -0.01135 -0.00174 -0.00088 128 3PX -0.00447 0.00430 0.01166 -0.00523 -0.00415 129 3PY 0.00152 0.00069 0.00822 0.00237 0.00976 130 3PZ -0.00310 0.00600 0.00175 0.00097 0.00682 131 4XX -0.00041 0.00046 -0.00106 -0.00006 -0.00134 132 4YY 0.00002 -0.00044 -0.00241 0.00090 -0.00246 133 4ZZ -0.00071 0.00039 0.00460 -0.00118 0.00367 134 4XY 0.00011 -0.00043 -0.00026 -0.00006 -0.00017 135 4XZ -0.00080 0.00161 0.00572 -0.00109 0.00603 136 4YZ 0.00005 -0.00026 -0.00064 0.00024 -0.00063 137 17 H 1S 0.00211 -0.00547 -0.01758 0.00282 -0.01902 138 2S 0.00286 -0.00626 -0.01629 0.00553 -0.03806 139 18 H 1S -0.00263 0.00805 0.02531 -0.00457 0.02413 140 2S -0.00281 0.01140 0.05156 -0.00982 0.05074 141 19 O 1S -0.00177 0.00495 -0.00445 0.00162 0.00858 142 2S 0.00716 -0.01548 0.01396 -0.01726 -0.01590 143 2PX 0.01256 -0.02728 -0.07076 -0.03231 -0.04710 144 2PY -0.02271 0.05458 -0.02754 0.05833 0.01347 145 2PZ 0.00200 -0.00190 -0.04870 0.05122 -0.05767 146 3S -0.00338 -0.00397 0.01643 0.03056 -0.06695 147 3PX 0.00941 -0.02046 -0.05943 -0.01729 -0.04760 148 3PY -0.01410 0.03728 -0.01911 0.03997 0.01436 149 3PZ 0.00235 -0.00388 -0.04772 0.04114 -0.05144 150 4XX 0.00027 0.00014 0.00368 -0.00416 0.00503 151 4YY 0.00139 -0.00234 0.00091 -0.00258 0.00125 152 4ZZ 0.00102 -0.00120 -0.00256 -0.00250 -0.00056 153 4XY 0.00070 -0.00154 0.00303 -0.00608 0.00086 154 4XZ 0.00006 -0.00020 0.00117 -0.00136 -0.00027 155 4YZ -0.00092 0.00213 -0.00170 0.00473 0.00039 156 20 O 1S 0.00537 -0.00687 0.02953 0.00841 -0.02341 157 2S -0.00988 0.01073 -0.06593 -0.03094 0.05396 158 2PX -0.05683 0.12360 -0.16691 -0.10826 0.18559 159 2PY -0.02548 0.05166 -0.09861 -0.03173 0.06632 160 2PZ 0.03477 -0.06520 0.17837 0.07011 -0.08073 161 3S 0.01404 -0.02641 -0.06857 0.04043 0.04689 162 3PX -0.02658 0.06225 -0.10153 -0.05728 0.09087 163 3PY -0.01946 0.03879 -0.07143 -0.02507 0.04916 164 3PZ 0.01512 -0.02656 0.08268 0.04075 -0.05660 165 4XX -0.00369 0.00604 0.00642 -0.00823 0.00738 166 4YY -0.00126 0.00120 -0.00465 -0.00050 0.00290 167 4ZZ -0.00089 0.00060 -0.00146 -0.00487 -0.00969 168 4XY -0.00464 0.00907 -0.00889 0.00340 0.01056 169 4XZ 0.00489 -0.00780 0.00431 0.00310 0.00127 170 4YZ 0.00277 -0.00505 0.01130 -0.00410 -0.00184 171 21 C 1S -0.00316 0.00630 -0.00913 0.01013 0.00381 172 2S 0.00672 -0.01756 0.02192 -0.03219 -0.01020 173 2PX 0.01114 -0.02806 0.02080 -0.01616 -0.02271 174 2PY -0.00217 0.00474 -0.03531 -0.02089 0.03815 175 2PZ -0.00866 0.02121 -0.03431 0.02128 0.00269 176 3S 0.00988 -0.01226 0.04433 -0.05398 -0.00799 177 3PX 0.00779 -0.01318 0.01209 -0.01701 -0.01130 178 3PY -0.00139 0.00393 -0.03155 -0.00044 0.03294 179 3PZ -0.00626 0.01180 -0.03279 0.02176 -0.00869 180 4XX -0.00162 0.00400 -0.00735 -0.00167 0.00610 181 4YY 0.00217 -0.00464 0.00888 0.00517 -0.00718 182 4ZZ -0.00094 0.00176 -0.00479 -0.00206 0.00340 183 4XY 0.00103 -0.00239 0.00015 -0.00067 -0.00422 184 4XZ 0.00005 -0.00046 0.00443 -0.00026 -0.00260 185 4YZ 0.00000 -0.00012 -0.00418 0.00250 -0.00145 186 22 H 1S -0.00290 0.00541 -0.00916 -0.00537 0.00813 187 2S -0.00329 0.00506 0.00164 -0.00259 0.02478 188 23 H 1S -0.00481 0.01264 -0.02125 -0.00579 0.01275 189 2S -0.00436 0.01309 -0.04173 0.00555 0.00475 21 22 23 24 25 21 3S 0.30240 22 3PX 0.06512 0.10753 23 3PY 0.00108 -0.03278 0.05313 24 3PZ 0.01250 0.06591 -0.02381 0.09324 25 4XX -0.01110 -0.00269 -0.00135 0.00336 0.00284 26 4YY -0.00002 -0.00019 0.00171 -0.00081 -0.00081 27 4ZZ -0.00313 0.00075 -0.00225 -0.00239 -0.00057 28 4XY -0.00070 0.00125 -0.00301 0.00445 0.00068 29 4XZ -0.00261 0.00148 0.00128 0.00019 -0.00036 30 4YZ 0.01358 0.00464 -0.00212 -0.00057 -0.00059 31 3 C 1S 0.01939 0.00116 0.00042 0.00289 -0.00166 32 2S -0.00897 -0.00240 0.00592 0.00280 0.00291 33 2PX -0.03370 -0.06900 0.01878 -0.07192 -0.00639 34 2PY 0.03756 0.02650 0.00967 0.01844 0.00236 35 2PZ 0.01771 -0.05827 0.01998 -0.02544 -0.00506 36 3S 0.00634 0.01131 -0.00142 0.01277 0.00712 37 3PX -0.00810 -0.04892 0.01364 -0.04703 -0.00462 38 3PY 0.01663 0.01406 -0.00006 0.01041 0.00312 39 3PZ -0.00659 -0.04815 0.01789 -0.03219 -0.00457 40 4XX 0.00472 0.00307 -0.00193 0.00247 -0.00044 41 4YY -0.00364 -0.00184 -0.00001 -0.00113 0.00003 42 4ZZ -0.00023 0.00014 0.00089 -0.00026 0.00011 43 4XY -0.00142 -0.00135 -0.00003 -0.00168 0.00002 44 4XZ 0.00285 0.00369 -0.00203 0.00204 -0.00022 45 4YZ 0.00038 -0.00132 0.00012 0.00000 -0.00008 46 4 C 1S 0.00362 0.00660 -0.00256 0.00154 -0.00079 47 2S -0.01131 -0.01009 0.00680 -0.01149 0.00083 48 2PX 0.05397 0.00586 -0.01975 0.02472 -0.00598 49 2PY 0.00009 -0.00333 -0.00115 -0.00222 0.00039 50 2PZ 0.02765 -0.00106 -0.01112 -0.00968 -0.00412 51 3S -0.00267 0.00189 0.00725 0.00411 -0.00147 52 3PX 0.04287 0.00790 -0.01495 0.01273 -0.00315 53 3PY 0.01053 0.00921 -0.00065 0.00996 0.00123 54 3PZ 0.02491 0.00564 -0.01187 0.00642 -0.00385 55 4XX 0.00169 0.00394 -0.00085 0.00308 0.00026 56 4YY -0.00170 -0.00184 -0.00011 -0.00116 -0.00010 57 4ZZ 0.00040 -0.00224 0.00090 -0.00129 -0.00022 58 4XY 0.00083 0.00266 -0.00134 0.00150 0.00008 59 4XZ 0.00036 0.00043 -0.00057 -0.00028 -0.00007 60 4YZ 0.00243 0.00313 -0.00123 0.00358 0.00014 61 5 C 1S 0.00390 0.00129 0.00151 0.00188 -0.00022 62 2S -0.00677 -0.00638 -0.00183 -0.00093 0.00029 63 2PX 0.05257 0.05986 -0.02888 0.04678 -0.00077 64 2PY 0.01291 0.01205 -0.00198 0.01428 -0.00019 65 2PZ 0.03694 0.04004 -0.02421 0.04463 0.00000 66 3S -0.01673 -0.01874 -0.00030 -0.02370 -0.00099 67 3PX 0.04060 0.05288 -0.02556 0.04984 0.00035 68 3PY 0.01633 0.01493 0.00054 0.01447 0.00038 69 3PZ 0.02603 0.03147 -0.01795 0.02776 0.00045 70 4XX 0.00024 -0.00003 -0.00019 -0.00002 -0.00005 71 4YY 0.00068 -0.00029 0.00078 -0.00031 0.00003 72 4ZZ -0.00088 -0.00002 -0.00009 -0.00039 -0.00002 73 4XY -0.00199 0.00069 0.00034 -0.00057 0.00023 74 4XZ 0.00100 0.00051 0.00015 0.00056 -0.00002 75 4YZ -0.00083 0.00006 0.00064 0.00063 0.00018 76 6 C 1S -0.00390 0.00525 -0.00344 0.00095 -0.00015 77 2S -0.01547 -0.01582 0.00096 -0.01385 0.00009 78 2PX 0.01234 0.01447 0.00298 0.02188 0.00100 79 2PY 0.04106 0.00810 0.01500 0.00944 -0.00028 80 2PZ -0.01992 0.01702 -0.01066 -0.00461 0.00082 81 3S -0.00131 0.00104 -0.00791 0.00823 0.00048 82 3PX 0.00671 0.01960 -0.00145 0.02259 0.00095 83 3PY 0.00008 -0.01035 0.00611 -0.01129 -0.00073 84 3PZ -0.00728 0.00997 0.00096 -0.00260 0.00042 85 4XX 0.00314 0.00457 -0.00247 0.00448 0.00002 86 4YY 0.00159 -0.00070 0.00134 -0.00045 -0.00003 87 4ZZ -0.00306 -0.00203 0.00063 -0.00256 -0.00003 88 4XY 0.00029 0.00087 0.00000 0.00032 -0.00001 89 4XZ 0.00172 0.00155 -0.00055 0.00176 0.00002 90 4YZ 0.00055 0.00013 0.00041 0.00045 0.00004 91 7 H 1S -0.06701 0.00166 -0.02500 0.00188 0.00286 92 2S -0.06605 -0.00133 -0.02216 -0.00048 0.00382 93 8 H 1S 0.00376 0.00141 0.00192 0.01246 0.00035 94 2S 0.00975 0.00671 -0.00049 0.01873 0.00029 95 9 H 1S -0.00200 0.00181 -0.00061 -0.00424 -0.00016 96 2S -0.00662 -0.00104 -0.00090 -0.00986 -0.00018 97 10 H 1S 0.02037 -0.00386 0.01136 -0.00076 -0.00022 98 2S 0.02622 0.00368 0.01246 0.00671 0.00028 99 11 H 1S -0.02949 -0.01403 -0.00485 -0.00815 0.00033 100 2S -0.02847 -0.01789 -0.00477 -0.01338 -0.00067 101 12 H 1S 0.13823 0.01463 -0.04024 -0.06420 -0.01030 102 2S 0.05309 -0.00286 -0.02942 -0.05324 -0.00710 103 13 C 1S 0.00525 0.00501 -0.00098 0.00473 0.00003 104 2S -0.02179 -0.00780 -0.00160 -0.01516 0.00002 105 2PX 0.00052 -0.01195 0.00919 -0.00205 0.00010 106 2PY 0.00380 0.01243 -0.00419 0.00047 0.00020 107 2PZ 0.04389 0.01016 0.00923 0.02306 -0.00037 108 3S -0.04200 -0.02839 -0.00534 -0.03138 -0.00109 109 3PX -0.00318 -0.01262 0.00701 -0.00618 0.00047 110 3PY 0.00214 0.00969 -0.00077 0.00395 0.00025 111 3PZ 0.02034 0.00942 0.00151 0.01530 -0.00021 112 4XX 0.00139 0.00147 -0.00037 0.00129 0.00000 113 4YY 0.00026 -0.00079 0.00090 -0.00035 0.00006 114 4ZZ -0.00033 -0.00014 -0.00036 -0.00008 0.00003 115 4XY 0.00040 -0.00082 0.00055 0.00005 0.00005 116 4XZ 0.00187 0.00007 0.00044 0.00093 -0.00004 117 4YZ 0.00163 -0.00037 0.00061 0.00080 0.00002 118 14 H 1S 0.01568 -0.00285 0.00665 0.00496 -0.00012 119 2S 0.02780 0.00369 0.00430 0.01380 0.00000 120 15 H 1S 0.00046 0.00973 -0.00532 0.00139 0.00007 121 2S 0.00730 0.00637 0.00234 0.00015 0.00073 122 16 C 1S 0.00606 0.00470 -0.00098 0.00664 -0.00063 123 2S -0.00124 -0.01725 0.01047 -0.00697 0.00056 124 2PX 0.00166 0.02394 -0.00749 0.00779 -0.00092 125 2PY -0.00813 -0.00042 -0.00131 -0.00013 0.00003 126 2PZ -0.01871 0.03174 -0.02065 0.00120 -0.00036 127 3S 0.00820 -0.00614 0.01294 0.00619 0.00265 128 3PX 0.00074 0.01151 -0.00524 0.00038 -0.00163 129 3PY -0.00022 0.00630 -0.00020 0.00481 -0.00103 130 3PZ -0.00599 0.01038 -0.00827 -0.00123 0.00221 131 4XX 0.00009 -0.00074 -0.00012 -0.00114 -0.00015 132 4YY -0.00193 -0.00187 0.00015 -0.00175 -0.00006 133 4ZZ 0.00176 0.00343 -0.00076 0.00268 0.00024 134 4XY -0.00003 -0.00086 0.00052 -0.00002 0.00009 135 4XZ 0.00100 0.00534 -0.00189 0.00366 0.00014 136 4YZ 0.00124 -0.00131 0.00081 0.00021 -0.00006 137 17 H 1S -0.00477 -0.02014 0.00649 -0.01303 -0.00031 138 2S -0.01426 -0.02387 0.00532 -0.02556 -0.00458 139 18 H 1S -0.00338 0.03165 -0.01293 0.01169 0.00042 140 2S 0.00315 0.05086 -0.02065 0.02778 0.00044 141 19 O 1S -0.01912 0.00040 -0.00866 0.00034 0.00017 142 2S 0.03953 0.00018 0.01381 0.00415 -0.00013 143 2PX -0.05190 -0.06278 0.00293 -0.01590 -0.00181 144 2PY 0.11865 0.01225 0.07005 -0.02566 0.00128 145 2PZ -0.02259 -0.04580 0.04206 -0.04491 -0.00149 146 3S 0.06992 -0.00817 0.04760 -0.02587 -0.00333 147 3PX -0.04013 -0.05124 0.00649 -0.02006 -0.00099 148 3PY 0.07832 0.00944 0.04593 -0.01465 0.00137 149 3PZ -0.02364 -0.03962 0.03260 -0.03818 -0.00131 150 4XX 0.00129 0.00203 -0.00205 0.00335 -0.00005 151 4YY -0.00668 0.00009 -0.00370 0.00190 0.00012 152 4ZZ -0.00190 -0.00056 -0.00107 -0.00081 0.00028 153 4XY 0.00119 0.00307 -0.00152 0.00019 0.00034 154 4XZ 0.00024 0.00084 0.00009 -0.00043 0.00007 155 4YZ 0.00089 -0.00049 0.00056 0.00013 -0.00012 156 20 O 1S 0.03366 -0.00189 0.00926 0.00881 -0.00408 157 2S -0.08566 0.00925 -0.02010 -0.02161 0.01018 158 2PX 0.03605 -0.02842 -0.01431 0.03341 -0.00967 159 2PY 0.06384 0.00555 0.04340 0.00081 0.01246 160 2PZ -0.07379 0.06531 0.02438 -0.03147 -0.02966 161 3S -0.14502 0.00223 -0.00577 -0.03622 0.00914 162 3PX 0.00385 -0.02098 -0.00216 0.00671 -0.00838 163 3PY 0.04535 0.00214 0.02759 0.00144 0.00826 164 3PZ -0.04402 0.02604 0.01819 -0.02934 -0.02041 165 4XX 0.00707 0.00484 -0.00343 0.00474 -0.00053 166 4YY 0.00255 -0.00001 0.00238 0.00049 0.00073 167 4ZZ 0.00268 -0.00309 -0.00096 -0.00347 -0.00006 168 4XY 0.00459 -0.00132 0.00224 0.00177 -0.00044 169 4XZ -0.00512 0.00089 0.00065 0.00174 -0.00015 170 4YZ -0.00392 0.00492 -0.00177 0.00035 -0.00104 171 21 C 1S 0.00669 -0.00601 0.00710 0.00104 -0.00035 172 2S -0.01116 0.01085 -0.01567 0.00197 0.00108 173 2PX -0.04028 0.01475 -0.00225 -0.01111 0.00363 174 2PY -0.01438 -0.02862 -0.02780 0.02414 0.00023 175 2PZ 0.03382 -0.02618 0.00358 -0.00501 -0.00250 176 3S 0.00698 0.01790 -0.02482 0.01203 -0.00051 177 3PX -0.01714 0.00544 -0.00312 -0.00396 -0.00005 178 3PY -0.00616 -0.00959 -0.00234 0.00879 0.00246 179 3PZ 0.00196 -0.02104 0.01079 -0.01368 -0.00320 180 4XX 0.00032 -0.00299 0.00046 0.00146 -0.00073 181 4YY -0.00421 0.00355 0.00211 -0.00332 -0.00023 182 4ZZ 0.00360 -0.00142 -0.00190 0.00199 0.00112 183 4XY -0.00110 -0.00345 -0.00191 0.00079 0.00018 184 4XZ 0.00244 0.00084 -0.00049 -0.00028 -0.00044 185 4YZ 0.00005 -0.00061 0.00299 -0.00240 0.00103 186 22 H 1S 0.02077 -0.00569 -0.00940 0.00564 0.00242 187 2S 0.03060 0.00485 -0.01303 0.01768 0.00650 188 23 H 1S 0.00895 -0.01225 -0.00075 0.00418 -0.00346 189 2S -0.00501 -0.02403 0.00974 -0.00722 -0.00562 26 27 28 29 30 26 4YY 0.00124 27 4ZZ -0.00025 0.00166 28 4XY -0.00016 -0.00042 0.00146 29 4XZ 0.00086 -0.00048 -0.00038 0.00147 30 4YZ 0.00001 0.00006 -0.00045 0.00023 0.00192 31 3 C 1S -0.00015 0.00005 0.00065 -0.00087 0.00069 32 2S -0.00072 -0.00093 -0.00175 0.00215 -0.00189 33 2PX 0.00200 0.00300 0.00232 -0.00444 0.00161 34 2PY -0.00233 -0.00031 0.00081 0.00155 0.00050 35 2PZ 0.00114 0.00308 0.00135 -0.00101 0.00103 36 3S -0.00221 -0.00432 0.00026 0.00174 0.00001 37 3PX 0.00123 0.00194 0.00166 -0.00304 0.00253 38 3PY -0.00109 -0.00251 0.00187 0.00075 0.00115 39 3PZ 0.00142 0.00257 0.00108 -0.00144 -0.00021 40 4XX 0.00004 0.00018 0.00038 -0.00023 0.00043 41 4YY 0.00015 -0.00003 -0.00013 0.00003 -0.00015 42 4ZZ -0.00007 0.00003 -0.00018 0.00010 -0.00011 43 4XY -0.00001 0.00004 -0.00002 -0.00009 -0.00003 44 4XZ 0.00004 0.00003 0.00006 -0.00003 0.00023 45 4YZ 0.00001 0.00010 0.00001 0.00000 -0.00001 46 4 C 1S -0.00013 -0.00029 -0.00016 0.00048 0.00029 47 2S -0.00023 0.00012 0.00026 -0.00093 -0.00044 48 2PX 0.00212 0.00135 0.00434 -0.00196 0.00517 49 2PY 0.00021 0.00021 -0.00101 0.00047 -0.00091 50 2PZ 0.00109 0.00082 0.00386 -0.00187 0.00430 51 3S 0.00113 0.00123 -0.00143 0.00108 -0.00187 52 3PX 0.00074 0.00017 0.00423 -0.00206 0.00491 53 3PY -0.00027 -0.00052 -0.00158 0.00124 -0.00049 54 3PZ 0.00119 0.00131 0.00243 -0.00098 0.00297 55 4XX -0.00010 -0.00016 -0.00005 0.00017 -0.00001 56 4YY 0.00008 0.00007 -0.00004 -0.00010 -0.00007 57 4ZZ 0.00001 0.00017 0.00002 -0.00012 0.00000 58 4XY -0.00001 -0.00011 -0.00003 0.00007 -0.00001 59 4XZ 0.00004 -0.00001 0.00000 -0.00003 0.00008 60 4YZ -0.00004 -0.00009 -0.00001 0.00009 0.00002 61 5 C 1S -0.00006 -0.00029 0.00007 0.00015 0.00021 62 2S 0.00020 0.00039 -0.00073 -0.00017 -0.00063 63 2PX 0.00040 -0.00168 0.00112 0.00113 0.00166 64 2PY -0.00036 -0.00028 0.00003 0.00034 0.00047 65 2PZ 0.00041 -0.00081 -0.00003 0.00071 0.00061 66 3S -0.00034 0.00145 0.00062 -0.00230 -0.00015 67 3PX 0.00066 -0.00195 0.00072 0.00173 0.00124 68 3PY -0.00015 -0.00056 -0.00100 0.00120 -0.00023 69 3PZ -0.00027 -0.00077 0.00075 -0.00001 0.00098 70 4XX 0.00002 -0.00002 0.00027 -0.00005 0.00026 71 4YY 0.00000 -0.00001 -0.00012 0.00001 -0.00010 72 4ZZ -0.00001 0.00004 -0.00015 0.00003 -0.00014 73 4XY -0.00009 -0.00008 -0.00017 0.00010 -0.00022 74 4XZ 0.00003 -0.00004 0.00000 0.00003 -0.00001 75 4YZ -0.00004 -0.00003 -0.00028 0.00011 -0.00028 76 6 C 1S 0.00008 -0.00011 -0.00037 0.00016 -0.00043 77 2S -0.00002 0.00080 0.00017 -0.00052 0.00030 78 2PX -0.00029 -0.00016 -0.00560 0.00162 -0.00505 79 2PY 0.00010 -0.00085 -0.00231 0.00076 -0.00154 80 2PZ -0.00048 0.00001 -0.00325 0.00149 -0.00330 81 3S 0.00091 -0.00076 0.00075 0.00094 0.00172 82 3PX 0.00000 -0.00059 -0.00378 0.00169 -0.00388 83 3PY -0.00033 0.00107 -0.00101 -0.00101 -0.00112 84 3PZ -0.00013 -0.00013 -0.00331 0.00148 -0.00305 85 4XX 0.00001 -0.00011 0.00023 0.00002 0.00021 86 4YY 0.00000 0.00000 -0.00013 0.00001 -0.00009 87 4ZZ -0.00004 0.00012 0.00002 -0.00009 -0.00009 88 4XY 0.00002 -0.00007 0.00010 0.00005 0.00009 89 4XZ 0.00003 -0.00008 0.00023 -0.00002 0.00015 90 4YZ 0.00001 -0.00007 0.00004 0.00000 0.00003 91 7 H 1S 0.00067 0.00200 0.00225 -0.00135 -0.00732 92 2S -0.00248 0.00396 0.00105 -0.00287 -0.00649 93 8 H 1S -0.00008 0.00003 0.00004 -0.00002 -0.00023 94 2S -0.00018 0.00021 -0.00046 0.00056 -0.00024 95 9 H 1S -0.00019 -0.00006 0.00041 -0.00004 0.00040 96 2S -0.00042 0.00012 0.00102 -0.00048 0.00077 97 10 H 1S 0.00017 -0.00023 -0.00116 0.00024 -0.00057 98 2S 0.00015 -0.00083 -0.00147 0.00089 -0.00104 99 11 H 1S 0.00113 -0.00055 -0.00137 0.00012 -0.00127 100 2S 0.00161 -0.00050 -0.00017 -0.00046 -0.00062 101 12 H 1S -0.00133 0.00728 -0.00491 -0.00219 0.01375 102 2S -0.00114 0.00781 -0.00503 -0.00106 0.00999 103 13 C 1S -0.00008 -0.00049 0.00020 0.00000 0.00011 104 2S 0.00002 0.00104 -0.00069 0.00019 -0.00086 105 2PX 0.00039 -0.00049 0.00069 -0.00064 0.00045 106 2PY -0.00053 -0.00051 -0.00008 0.00001 -0.00028 107 2PZ 0.00052 -0.00123 0.00080 -0.00047 0.00108 108 3S 0.00032 0.00204 0.00000 -0.00124 0.00020 109 3PX -0.00016 -0.00013 0.00060 -0.00079 -0.00027 110 3PY -0.00050 -0.00008 -0.00040 0.00020 -0.00075 111 3PZ 0.00046 -0.00077 0.00015 0.00018 0.00030 112 4XX 0.00000 -0.00004 -0.00007 0.00003 -0.00007 113 4YY -0.00001 -0.00001 -0.00012 0.00006 -0.00013 114 4ZZ -0.00001 -0.00004 0.00024 -0.00009 0.00020 115 4XY 0.00002 -0.00004 0.00000 0.00003 0.00001 116 4XZ 0.00006 -0.00010 0.00029 -0.00008 0.00030 117 4YZ -0.00002 -0.00001 0.00005 0.00005 0.00005 118 14 H 1S 0.00033 -0.00055 0.00128 -0.00051 0.00126 119 2S 0.00033 -0.00110 0.00256 -0.00036 0.00282 120 15 H 1S -0.00031 0.00031 -0.00088 0.00045 -0.00090 121 2S -0.00071 0.00002 -0.00118 0.00037 -0.00185 122 16 C 1S 0.00003 -0.00062 0.00037 -0.00066 0.00023 123 2S -0.00028 0.00051 -0.00055 0.00101 -0.00046 124 2PX 0.00017 -0.00050 -0.00007 -0.00114 -0.00049 125 2PY 0.00039 0.00048 -0.00037 -0.00007 -0.00025 126 2PZ 0.00086 -0.00154 0.00068 -0.00209 0.00104 127 3S -0.00173 0.00031 -0.00252 0.00127 -0.00140 128 3PX 0.00055 0.00056 -0.00074 -0.00019 -0.00029 129 3PY 0.00030 0.00096 -0.00040 -0.00011 -0.00086 130 3PZ -0.00003 -0.00250 0.00078 -0.00054 0.00121 131 4XX 0.00004 0.00005 0.00009 -0.00012 0.00013 132 4YY 0.00009 0.00005 -0.00006 -0.00001 -0.00004 133 4ZZ -0.00008 -0.00017 -0.00003 0.00016 0.00000 134 4XY -0.00002 0.00000 0.00001 0.00005 0.00000 135 4XZ -0.00004 -0.00017 0.00001 -0.00002 -0.00001 136 4YZ 0.00002 0.00005 -0.00004 0.00003 -0.00004 137 17 H 1S 0.00002 0.00078 0.00019 0.00020 0.00044 138 2S 0.00153 0.00305 0.00009 -0.00037 -0.00013 139 18 H 1S -0.00006 -0.00121 0.00009 -0.00067 0.00002 140 2S -0.00015 -0.00139 0.00071 -0.00051 0.00017 141 19 O 1S -0.00113 -0.00041 0.00019 -0.00019 -0.00025 142 2S 0.00172 0.00103 -0.00005 0.00040 0.00048 143 2PX 0.00322 0.00311 -0.00571 -0.00061 0.00497 144 2PY -0.00525 -0.00022 0.00352 -0.00129 -0.00300 145 2PZ -0.00191 0.00376 0.00395 -0.00219 -0.00360 146 3S 0.00284 0.00163 -0.00090 0.00219 0.00023 147 3PX 0.00166 0.00235 -0.00407 -0.00033 0.00223 148 3PY -0.00393 -0.00031 0.00219 -0.00114 -0.00193 149 3PZ -0.00071 0.00283 0.00122 -0.00133 -0.00308 150 4XX 0.00009 -0.00001 0.00046 -0.00004 0.00020 151 4YY 0.00005 0.00004 -0.00039 -0.00013 0.00029 152 4ZZ -0.00010 -0.00004 0.00010 0.00003 -0.00046 153 4XY -0.00045 0.00018 0.00033 -0.00009 -0.00023 154 4XZ -0.00027 0.00014 0.00002 -0.00007 0.00020 155 4YZ 0.00028 -0.00037 -0.00037 0.00016 -0.00002 156 20 O 1S 0.00187 -0.00015 -0.00472 0.00482 0.00418 157 2S -0.00416 0.00085 0.01094 -0.01112 -0.00916 158 2PX -0.00837 0.01393 0.00470 -0.02047 -0.01403 159 2PY -0.01669 0.00483 -0.01114 -0.01396 0.00988 160 2PZ 0.00733 0.02319 -0.01508 0.00360 -0.00086 161 3S -0.00037 -0.00054 0.01372 -0.00833 -0.01643 162 3PX -0.00484 0.01121 0.00028 -0.01239 -0.00876 163 3PY -0.01109 0.00302 -0.00645 -0.00952 0.00552 164 3PZ 0.00453 0.01586 -0.00910 0.00057 -0.00238 165 4XX -0.00009 0.00032 0.00036 -0.00026 0.00009 166 4YY -0.00086 0.00021 -0.00086 -0.00067 0.00082 167 4ZZ 0.00012 -0.00011 0.00000 0.00029 0.00035 168 4XY -0.00033 0.00031 0.00003 -0.00095 -0.00054 169 4XZ 0.00020 0.00014 -0.00023 0.00045 -0.00007 170 4YZ 0.00016 0.00112 -0.00036 0.00013 0.00011 171 21 C 1S 0.00097 -0.00113 0.00146 0.00001 -0.00168 172 2S -0.00241 0.00264 -0.00346 -0.00075 0.00394 173 2PX -0.00310 0.00371 -0.00387 -0.00315 0.00431 174 2PY 0.00266 -0.00408 0.00847 0.00029 -0.00716 175 2PZ 0.00292 -0.00353 0.00433 0.00326 -0.00376 176 3S -0.00182 0.00211 -0.00259 0.00119 0.00486 177 3PX -0.00128 0.00287 -0.00192 -0.00119 0.00177 178 3PY -0.00101 -0.00153 0.00349 -0.00166 -0.00356 179 3PZ 0.00132 0.00096 0.00042 -0.00022 -0.00289 180 4XX -0.00007 0.00058 -0.00016 -0.00060 -0.00033 181 4YY 0.00019 0.00040 -0.00003 0.00024 -0.00008 182 4ZZ -0.00013 -0.00110 0.00034 0.00016 0.00022 183 4XY 0.00054 -0.00069 0.00038 0.00063 0.00005 184 4XZ 0.00030 -0.00005 0.00031 0.00052 -0.00015 185 4YZ -0.00052 -0.00028 -0.00013 -0.00022 0.00040 186 22 H 1S 0.00013 -0.00360 0.00183 0.00183 0.00070 187 2S 0.00011 -0.00765 0.00380 0.00289 0.00148 188 23 H 1S 0.00043 0.00137 -0.00038 -0.00037 -0.00170 189 2S 0.00070 0.00375 -0.00106 -0.00177 -0.00353 31 32 33 34 35 31 3 C 1S 2.05499 32 2S -0.06133 0.32633 33 2PX -0.00315 0.00484 0.35438 34 2PY 0.00192 0.00375 0.02302 0.41151 35 2PZ 0.00214 0.00093 -0.04000 0.00391 0.38400 36 3S -0.19781 0.29070 -0.01226 -0.00351 -0.02808 37 3PX 0.00758 -0.01604 0.19638 -0.01983 0.03216 38 3PY -0.00758 -0.00820 0.00466 0.13002 -0.01758 39 3PZ 0.00298 -0.00462 0.04853 -0.01429 0.17019 40 4XX -0.01132 -0.01296 0.00888 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 -0.00162 0.00345 0.00762 -0.00005 -0.00415 44 4XZ 0.00249 -0.00560 -0.00453 -0.00527 0.00116 45 4YZ -0.00081 0.00153 -0.00335 -0.00229 0.01081 46 4 C 1S 0.01788 -0.03384 -0.05514 -0.03905 0.04364 47 2S -0.03602 0.06175 0.11749 0.07545 -0.08981 48 2PX 0.05991 -0.12166 0.00708 -0.13785 0.21173 49 2PY 0.03620 -0.07534 -0.13525 -0.05072 0.08012 50 2PZ -0.04301 0.08348 0.24258 0.06403 -0.01517 51 3S 0.01167 0.01681 0.04583 0.10481 -0.05017 52 3PX 0.00739 -0.03363 0.07526 -0.06145 0.08998 53 3PY 0.00604 -0.00949 -0.09236 0.00968 0.03205 54 3PZ 0.00476 0.00613 0.09987 0.00562 0.03875 55 4XX -0.00160 0.00278 -0.00836 0.00424 -0.00521 56 4YY 0.00118 -0.00344 -0.00219 -0.01331 0.00246 57 4ZZ -0.00024 0.00008 0.00219 0.00190 0.01017 58 4XY -0.00373 0.00671 0.00235 -0.00163 -0.00838 59 4XZ 0.00330 -0.00637 -0.00296 -0.00724 -0.00074 60 4YZ 0.00332 -0.00626 -0.00857 0.00162 0.00096 61 5 C 1S -0.00340 0.00823 0.00832 0.01167 -0.00446 62 2S 0.00831 -0.01879 -0.02655 -0.02675 0.01369 63 2PX -0.00083 0.00174 -0.00639 0.00246 -0.02038 64 2PY -0.01224 0.03290 0.03169 0.03374 -0.01505 65 2PZ 0.00587 -0.01501 -0.02711 -0.00710 -0.00551 66 3S -0.00303 -0.01977 0.05034 -0.09132 -0.01050 67 3PX 0.00672 -0.00622 -0.04989 0.00084 -0.00962 68 3PY -0.00510 0.01885 -0.02124 0.05079 -0.00765 69 3PZ -0.00511 -0.00130 0.00966 0.00106 -0.02947 70 4XX 0.00018 -0.00040 0.00314 -0.00096 0.00187 71 4YY -0.00096 0.00214 0.00147 0.00421 -0.00324 72 4ZZ -0.00025 0.00080 -0.00075 0.00076 -0.00147 73 4XY -0.00180 0.00376 -0.00179 0.00591 -0.00819 74 4XZ 0.00008 -0.00016 -0.00173 0.00001 0.00049 75 4YZ 0.00116 -0.00224 -0.01076 -0.00219 -0.00079 76 6 C 1S -0.00468 0.00678 -0.00444 0.01024 -0.00218 77 2S 0.00678 -0.01943 0.01494 -0.02846 0.00306 78 2PX -0.00444 0.01494 -0.09410 0.02688 -0.03864 79 2PY -0.01024 0.02846 -0.02688 0.03619 -0.01452 80 2PZ -0.00218 0.00306 -0.03864 0.01452 -0.06996 81 3S 0.02825 -0.03182 -0.02298 -0.03182 0.02406 82 3PX -0.00346 0.01217 -0.08553 0.02906 -0.03407 83 3PY -0.01062 0.00751 0.01954 -0.01165 -0.01762 84 3PZ -0.00234 0.00645 -0.04463 0.01710 -0.05609 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 -0.00145 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 -0.00218 0.00570 -0.01887 0.00820 -0.01269 92 2S -0.00428 0.00822 -0.02245 0.01241 -0.02171 93 8 H 1S 0.01338 -0.02791 -0.03270 -0.00421 0.03215 94 2S 0.01887 -0.03229 -0.07740 0.00142 0.06794 95 9 H 1S -0.00753 0.01707 0.03031 0.01511 -0.01497 96 2S -0.01234 0.02410 0.06563 0.03044 -0.02984 97 10 H 1S -0.00252 0.00795 -0.01088 0.00924 -0.00291 98 2S -0.00361 0.01394 -0.03433 0.02542 -0.00578 99 11 H 1S -0.05969 0.11295 -0.02941 -0.26415 -0.02264 100 2S -0.01311 0.02597 -0.00927 -0.24493 -0.02198 101 12 H 1S 0.00600 -0.01492 0.02505 -0.00207 0.02148 102 2S 0.00674 -0.01324 0.02738 -0.00707 0.02822 103 13 C 1S -0.00202 0.00420 -0.00310 0.00914 0.00490 104 2S 0.00459 -0.00918 0.00431 -0.01813 -0.01663 105 2PX 0.00180 -0.00336 0.00565 -0.00361 -0.00159 106 2PY -0.01024 0.02612 -0.00235 0.03528 0.03068 107 2PZ -0.00336 0.01374 -0.00368 0.00755 0.02388 108 3S -0.00082 -0.01381 0.04767 -0.07650 0.00218 109 3PX -0.00044 -0.00408 0.00897 -0.00860 0.00186 110 3PY -0.00685 0.01928 -0.00922 0.05188 0.01857 111 3PZ 0.00016 0.00716 -0.01326 0.00333 0.01589 112 4XX -0.00043 0.00105 -0.00160 0.00085 -0.00003 113 4YY -0.00057 0.00088 -0.00257 0.00192 0.00053 114 4ZZ 0.00018 -0.00091 0.00295 -0.00150 0.00092 115 4XY 0.00034 -0.00060 -0.00054 -0.00070 -0.00295 116 4XZ 0.00007 -0.00013 0.00227 -0.00068 0.00232 117 4YZ -0.00151 0.00341 -0.00257 0.00453 0.00723 118 14 H 1S -0.00194 0.00810 0.00893 0.00399 0.02444 119 2S -0.00257 0.00829 0.01197 0.01246 0.03387 120 15 H 1S -0.00421 0.01109 -0.01222 0.01109 0.01092 121 2S -0.00628 0.01442 -0.02774 0.02015 0.01335 122 16 C 1S 0.01252 -0.02297 0.02143 -0.02956 -0.05185 123 2S -0.02336 0.03914 -0.04298 0.05547 0.10798 124 2PX -0.01707 0.03370 0.00054 0.02746 0.08295 125 2PY 0.02349 -0.04867 0.02055 -0.03155 -0.11040 126 2PZ 0.06432 -0.13741 0.10104 -0.12207 -0.23457 127 3S 0.00258 0.02396 -0.09359 0.11181 0.08685 128 3PX -0.00270 0.01327 -0.00001 0.01602 0.03732 129 3PY 0.00571 -0.01147 0.01357 0.00261 -0.05338 130 3PZ 0.01309 -0.04402 0.04348 -0.05774 -0.11717 131 4XX 0.00197 -0.00450 0.00735 -0.00167 -0.00376 132 4YY 0.00081 -0.00222 0.00072 -0.00983 -0.00224 133 4ZZ -0.00457 0.00848 -0.00573 0.00739 0.00104 134 4XY 0.00115 -0.00204 -0.00143 0.00103 -0.00361 135 4XZ 0.00264 -0.00524 -0.00785 -0.00343 -0.00571 136 4YZ -0.00410 0.00767 -0.00392 -0.00341 0.00869 137 17 H 1S 0.00809 -0.01963 0.02500 -0.00184 -0.02345 138 2S 0.01421 -0.02688 0.08199 -0.01218 -0.02899 139 18 H 1S 0.00810 -0.02346 0.00301 -0.00514 -0.02613 140 2S 0.01255 -0.02989 -0.00776 -0.01032 -0.05902 141 19 O 1S -0.00022 -0.00083 0.00029 -0.00057 -0.00037 142 2S -0.00033 0.00189 -0.00261 0.00159 -0.00241 143 2PX -0.00196 0.01053 -0.00511 0.00636 -0.00385 144 2PY 0.00012 -0.00069 0.00506 -0.00592 0.00207 145 2PZ -0.00038 0.00618 0.01085 -0.00505 0.00367 146 3S 0.00417 0.00260 0.00465 0.00354 0.01628 147 3PX -0.00087 0.00950 -0.00799 0.00668 -0.00036 148 3PY -0.00084 -0.00063 0.00069 -0.00534 -0.00211 149 3PZ -0.00100 0.00695 0.00652 -0.00313 0.00013 150 4XX 0.00013 -0.00070 0.00054 -0.00032 -0.00035 151 4YY -0.00035 0.00001 -0.00039 0.00001 -0.00100 152 4ZZ -0.00059 0.00049 -0.00161 0.00047 -0.00143 153 4XY -0.00006 -0.00032 -0.00006 0.00005 -0.00023 154 4XZ 0.00001 -0.00012 0.00024 -0.00009 0.00015 155 4YZ 0.00000 -0.00005 0.00046 -0.00022 0.00048 156 20 O 1S -0.00006 0.00124 -0.00404 0.00016 0.00063 157 2S 0.00144 -0.00357 0.00923 -0.00011 0.00160 158 2PX 0.00871 -0.01382 0.06019 -0.01145 0.01992 159 2PY -0.00185 0.00158 -0.00859 -0.00101 -0.00434 160 2PZ 0.00816 -0.00917 0.05234 -0.01313 0.02773 161 3S -0.00560 -0.00093 0.01763 -0.00058 -0.01791 162 3PX 0.00393 -0.01001 0.05169 -0.01067 0.01445 163 3PY -0.00167 0.00082 -0.00513 -0.00137 -0.00722 164 3PZ 0.00725 -0.00761 0.04914 -0.01410 0.03125 165 4XX 0.00024 -0.00022 -0.00249 0.00102 -0.00083 166 4YY 0.00041 0.00028 -0.00014 -0.00053 0.00077 167 4ZZ 0.00077 -0.00013 0.00221 -0.00025 0.00242 168 4XY 0.00030 -0.00069 0.00263 -0.00048 0.00036 169 4XZ -0.00009 0.00043 -0.00078 0.00004 -0.00006 170 4YZ 0.00035 -0.00059 0.00104 0.00015 0.00079 171 21 C 1S 0.00031 0.00016 0.00231 -0.00028 0.00028 172 2S -0.00014 0.00012 -0.00529 0.00125 -0.00036 173 2PX -0.00106 0.00104 -0.00790 0.00130 -0.00107 174 2PY 0.00029 -0.00035 0.00363 0.00068 -0.00186 175 2PZ -0.00089 0.00172 0.00117 -0.00103 0.00273 176 3S -0.00166 -0.00067 -0.01412 0.00313 -0.00051 177 3PX -0.00070 -0.00066 -0.00054 -0.00011 -0.00161 178 3PY -0.00010 0.00080 -0.00118 -0.00034 -0.00115 179 3PZ -0.00012 0.00144 0.01063 -0.00170 0.00865 180 4XX 0.00047 -0.00028 0.00261 -0.00032 0.00062 181 4YY 0.00012 -0.00014 0.00035 -0.00024 0.00036 182 4ZZ -0.00034 0.00032 -0.00260 0.00051 -0.00089 183 4XY -0.00036 0.00075 -0.00234 0.00068 -0.00100 184 4XZ 0.00011 -0.00015 0.00004 0.00016 0.00005 185 4YZ -0.00050 0.00078 -0.00242 0.00047 -0.00097 186 22 H 1S -0.00145 0.00102 -0.00985 0.00186 -0.00338 187 2S -0.00192 0.00051 -0.01929 0.00327 -0.01359 188 23 H 1S 0.00142 -0.00087 0.01077 -0.00153 0.00282 189 2S 0.00191 -0.00083 0.02157 -0.00370 0.00567 36 37 38 39 40 36 3S 0.30063 37 3PX -0.02130 0.12488 38 3PY 0.00564 -0.00625 0.05321 39 3PZ -0.02582 0.05271 -0.01514 0.09657 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 -0.00917 -0.01230 -0.00984 0.00436 -0.00196 47 2S 0.03346 0.03508 0.02572 -0.01208 0.00317 48 2PX -0.13111 0.04974 -0.05357 0.09570 0.01089 49 2PY -0.05000 -0.06231 -0.00539 0.03267 -0.00515 50 2PZ 0.09079 0.12907 0.02376 0.02874 0.00700 51 3S -0.02632 -0.00784 0.01880 -0.00661 0.00431 52 3PX -0.02878 0.06572 -0.01760 0.05086 0.00751 53 3PY -0.00107 -0.05178 0.00218 -0.00022 -0.00330 54 3PZ 0.00197 0.06093 -0.00261 0.03335 0.00592 55 4XX 0.00396 -0.00568 0.00159 -0.00483 -0.00025 56 4YY -0.00287 0.00025 -0.00408 0.00198 -0.00020 57 4ZZ -0.00161 0.00269 -0.00056 0.00448 0.00012 58 4XY 0.00854 -0.00001 -0.00027 -0.00454 -0.00005 59 4XZ -0.00402 -0.00054 -0.00162 -0.00042 -0.00004 60 4YZ -0.00762 -0.00548 0.00013 -0.00162 0.00034 61 5 C 1S 0.00597 0.00436 0.00283 -0.00411 0.00055 62 2S -0.02038 -0.01394 -0.01068 0.00852 -0.00122 63 2PX 0.03770 -0.00491 0.00153 -0.03958 0.00654 64 2PY 0.02417 0.01849 -0.00564 -0.02545 0.00245 65 2PZ -0.04545 -0.03621 -0.01117 -0.01414 0.00490 66 3S -0.00894 0.03723 -0.02368 0.01302 -0.00039 67 3PX 0.00720 -0.03354 -0.00135 -0.03089 0.00409 68 3PY 0.01228 -0.01961 0.00591 -0.01855 0.00039 69 3PZ -0.00387 -0.00655 -0.00062 -0.02248 0.00388 70 4XX 0.00001 0.00305 0.00037 0.00162 0.00008 71 4YY 0.00135 -0.00079 0.00088 -0.00087 0.00005 72 4ZZ 0.00112 -0.00046 -0.00001 -0.00208 -0.00004 73 4XY 0.00563 -0.00236 0.00276 -0.00456 -0.00039 74 4XZ -0.00036 -0.00133 -0.00020 0.00042 0.00001 75 4YZ -0.00433 -0.00703 -0.00146 -0.00175 -0.00032 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 -0.02298 -0.08553 -0.01954 -0.04463 -0.00092 79 2PY 0.03182 -0.02906 -0.01165 -0.01710 0.00052 80 2PZ 0.02406 -0.03407 0.01762 -0.05609 -0.00105 81 3S -0.04410 -0.00579 -0.00614 0.01062 0.00048 82 3PX -0.00579 -0.07057 -0.00672 -0.04022 -0.00074 83 3PY 0.00614 0.00672 -0.01301 -0.00672 0.00022 84 3PZ 0.01062 -0.04022 0.00672 -0.04211 -0.00188 85 4XX 0.00048 -0.00074 -0.00022 -0.00188 0.00046 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 0.00326 -0.01991 -0.00386 -0.01165 -0.00039 92 2S 0.00517 -0.02252 -0.00369 -0.01651 -0.00120 93 8 H 1S -0.05771 -0.01770 -0.01040 0.00730 0.00307 94 2S -0.05898 -0.03769 -0.01145 0.01284 0.00157 95 9 H 1S 0.04153 0.02563 0.00659 -0.01358 0.00034 96 2S 0.04888 0.04372 0.01573 -0.01524 0.00109 97 10 H 1S 0.00542 -0.01175 -0.00990 -0.00326 -0.00021 98 2S 0.01443 -0.02816 -0.00401 -0.00905 -0.00090 99 11 H 1S 0.11235 -0.00497 -0.08410 -0.00406 -0.00852 100 2S 0.03320 0.01111 -0.07232 0.00216 -0.00501 101 12 H 1S -0.01941 0.02450 -0.00644 0.01187 0.00237 102 2S -0.02513 0.02494 -0.01127 0.01828 0.00128 103 13 C 1S 0.00385 -0.00368 0.00396 0.00182 0.00030 104 2S -0.00944 0.00480 -0.00899 -0.00699 -0.00104 105 2PX -0.01294 -0.00201 -0.00016 0.00416 -0.00016 106 2PY 0.02808 -0.00941 0.01240 0.02231 0.00101 107 2PZ -0.00622 -0.01452 -0.02514 0.02494 0.00235 108 3S -0.01019 0.04237 -0.02365 0.01383 -0.00084 109 3PX -0.00772 0.00407 -0.00202 0.00495 -0.00010 110 3PY 0.01838 -0.01155 0.01565 0.00894 0.00038 111 3PZ -0.00339 -0.01370 -0.01143 0.01345 0.00079 112 4XX 0.00059 -0.00184 -0.00079 -0.00002 0.00012 113 4YY 0.00051 -0.00138 0.00036 -0.00117 -0.00021 114 4ZZ -0.00049 0.00226 0.00067 0.00161 0.00010 115 4XY -0.00113 -0.00075 -0.00018 -0.00084 0.00020 116 4XZ 0.00027 0.00192 -0.00021 0.00237 0.00014 117 4YZ 0.00211 -0.00124 0.00039 0.00342 -0.00004 118 14 H 1S -0.00360 0.00076 -0.00943 0.02497 0.00137 119 2S 0.00098 0.00617 -0.00178 0.02866 0.00250 120 15 H 1S 0.01103 -0.00908 -0.00455 0.00279 -0.00024 121 2S 0.01061 -0.02204 -0.00342 -0.00197 -0.00114 122 16 C 1S -0.00158 0.00447 -0.00708 -0.00575 0.00165 123 2S 0.01521 -0.01064 0.01664 0.02431 -0.00384 124 2PX 0.03853 0.00012 0.00296 0.01547 -0.00730 125 2PY -0.03620 0.00742 -0.01298 -0.05084 0.00065 126 2PZ -0.11065 0.03883 -0.01883 -0.09079 0.00545 127 3S 0.00026 -0.04852 0.02854 -0.00063 -0.00365 128 3PX 0.01152 -0.00164 -0.00036 0.00753 -0.00317 129 3PY -0.00988 0.00132 -0.00475 -0.02377 0.00081 130 3PZ -0.02319 0.01621 -0.00275 -0.04788 0.00129 131 4XX -0.00464 0.00411 0.00008 0.00009 0.00055 132 4YY -0.00177 0.00125 -0.00342 -0.00014 -0.00011 133 4ZZ 0.00861 -0.00455 0.00229 -0.00148 -0.00043 134 4XY -0.00248 -0.00119 0.00060 -0.00104 0.00026 135 4XZ -0.00330 -0.00506 -0.00034 -0.00512 -0.00024 136 4YZ 0.00612 -0.00155 -0.00276 0.00415 -0.00030 137 17 H 1S -0.03205 0.01668 0.00582 0.00220 0.00458 138 2S -0.04475 0.04620 -0.00375 0.01692 0.00610 139 18 H 1S -0.01620 -0.00408 0.00731 -0.02954 -0.00244 140 2S -0.01438 -0.01446 0.00677 -0.04306 -0.00103 141 19 O 1S 0.00478 -0.00034 0.00292 -0.00037 0.00005 142 2S -0.01174 -0.00062 -0.00710 -0.00261 0.00009 143 2PX -0.01339 -0.00598 -0.01719 -0.00465 -0.00284 144 2PY 0.01503 0.01029 0.00351 0.00628 -0.00057 145 2PZ -0.00939 0.00676 -0.01292 0.01134 -0.00300 146 3S -0.02205 0.00576 -0.01075 0.01416 -0.00127 147 3PX -0.00989 -0.00764 -0.01269 -0.00164 -0.00285 148 3PY 0.01203 0.00556 0.00296 0.00119 -0.00037 149 3PZ -0.00808 0.00205 -0.01200 0.00636 -0.00271 150 4XX -0.00027 0.00061 0.00014 -0.00022 0.00027 151 4YY -0.00009 -0.00059 -0.00005 -0.00109 0.00006 152 4ZZ 0.00112 -0.00155 0.00034 -0.00116 -0.00011 153 4XY 0.00078 -0.00003 0.00066 -0.00012 0.00012 154 4XZ 0.00042 0.00039 0.00024 0.00009 0.00002 155 4YZ -0.00012 0.00021 0.00012 0.00030 -0.00002 156 20 O 1S -0.00071 0.00229 -0.00275 -0.00410 0.00035 157 2S 0.00712 -0.00370 0.00818 0.00912 -0.00046 158 2PX -0.06014 0.03305 -0.03526 0.03603 0.00293 159 2PY 0.03805 0.01207 0.00553 -0.01762 -0.00031 160 2PZ -0.09380 0.02385 -0.05513 0.04421 0.00201 161 3S 0.00110 -0.00862 0.00729 0.00834 -0.00246 162 3PX -0.04692 0.02864 -0.02790 0.02875 0.00148 163 3PY 0.02464 0.00709 0.00345 -0.01326 -0.00033 164 3PZ -0.06966 0.02556 -0.04140 0.04032 0.00128 165 4XX -0.00102 -0.00166 -0.00027 -0.00089 0.00033 166 4YY 0.00234 0.00115 0.00011 -0.00071 -0.00001 167 4ZZ 0.00016 0.00189 0.00023 0.00145 -0.00001 168 4XY -0.00189 0.00172 -0.00110 0.00119 0.00010 169 4XZ -0.00061 -0.00060 -0.00050 -0.00008 0.00002 170 4YZ -0.00343 0.00027 -0.00176 0.00116 0.00021 171 21 C 1S -0.00427 0.00078 -0.00191 0.00078 0.00004 172 2S 0.00569 -0.00092 0.00097 -0.00391 0.00020 173 2PX 0.01577 -0.00104 0.00453 -0.00865 -0.00021 174 2PY -0.00790 -0.00266 0.00141 0.00228 0.00035 175 2PZ 0.01037 0.00060 0.00641 0.00420 -0.00101 176 3S 0.00771 -0.00509 0.00322 -0.00672 0.00069 177 3PX 0.00049 0.00104 -0.00155 -0.00251 0.00030 178 3PY 0.00406 -0.00168 0.00206 -0.00054 -0.00023 179 3PZ -0.00686 0.00525 -0.00533 0.00992 -0.00113 180 4XX -0.00398 0.00129 -0.00246 0.00156 0.00006 181 4YY -0.00117 -0.00005 -0.00051 0.00071 -0.00003 182 4ZZ 0.00503 -0.00109 0.00301 -0.00210 -0.00004 183 4XY 0.00072 -0.00172 0.00061 -0.00133 -0.00015 184 4XZ -0.00051 -0.00013 0.00009 0.00040 0.00006 185 4YZ 0.00382 -0.00104 0.00135 -0.00158 -0.00024 186 22 H 1S 0.02157 -0.00373 0.01273 -0.00671 -0.00017 187 2S 0.03435 -0.00893 0.02261 -0.01662 0.00052 188 23 H 1S -0.01834 0.00437 -0.01007 0.00827 0.00012 189 2S -0.02970 0.00959 -0.01786 0.01474 -0.00027 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 0.00153 0.00017 -0.00334 0.00415 0.00299 47 2S -0.00338 -0.00118 0.00665 -0.00766 -0.00599 48 2PX 0.00154 -0.00180 -0.00345 0.00321 0.00806 49 2PY 0.01234 -0.00099 0.00259 0.00661 -0.00166 50 2PZ -0.00144 -0.01328 0.00806 -0.00046 -0.00180 51 3S -0.00597 0.00227 0.00401 -0.00598 -0.00437 52 3PX 0.00072 -0.00471 0.00042 0.00115 0.00323 53 3PY 0.00312 0.00133 -0.00006 0.00283 0.00034 54 3PZ -0.00082 -0.00632 0.00233 0.00064 0.00096 55 4XX -0.00024 0.00025 -0.00028 0.00010 0.00001 56 4YY 0.00096 -0.00037 0.00009 0.00031 0.00002 57 4ZZ -0.00047 0.00030 -0.00028 -0.00010 0.00044 58 4XY 0.00024 -0.00056 0.00027 0.00010 -0.00010 59 4XZ 0.00056 -0.00018 -0.00003 0.00045 -0.00005 60 4YZ -0.00029 0.00043 -0.00026 0.00003 0.00013 61 5 C 1S -0.00184 0.00071 -0.00099 -0.00063 0.00075 62 2S 0.00439 -0.00116 0.00185 0.00122 -0.00145 63 2PX -0.00163 -0.00388 0.00106 0.00247 0.00231 64 2PY -0.00978 0.00241 -0.00569 -0.00138 0.00452 65 2PZ 0.00043 -0.00350 0.00147 0.00179 0.00111 66 3S 0.00672 -0.00420 0.00341 0.00159 -0.00237 67 3PX -0.00057 -0.00209 -0.00024 0.00231 0.00190 68 3PY -0.00498 0.00247 -0.00201 -0.00038 0.00139 69 3PZ -0.00061 -0.00267 0.00151 0.00107 0.00022 70 4XX -0.00015 0.00001 -0.00021 -0.00001 0.00008 71 4YY -0.00003 -0.00001 0.00031 -0.00021 -0.00023 72 4ZZ -0.00027 0.00015 -0.00018 -0.00003 0.00018 73 4XY -0.00013 0.00015 0.00009 -0.00008 -0.00029 74 4XZ 0.00009 0.00001 0.00005 0.00004 -0.00004 75 4YZ 0.00012 0.00047 -0.00023 0.00001 0.00003 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 0.00145 -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 -0.00023 0.00048 0.00024 -0.00001 0.00028 92 2S -0.00023 0.00102 0.00025 -0.00013 0.00010 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 -0.00257 0.00002 -0.00085 -0.00030 0.00058 96 2S -0.00387 -0.00050 -0.00037 -0.00117 0.00017 97 10 H 1S 0.00086 -0.00008 0.00059 0.00022 0.00041 98 2S 0.00150 -0.00030 0.00078 0.00062 0.00057 99 11 H 1S 0.01671 -0.00993 0.00155 0.00194 0.00169 100 2S 0.01588 -0.00874 0.00135 0.00309 0.00104 101 12 H 1S -0.00130 0.00016 0.00041 0.00177 0.00041 102 2S -0.00061 0.00053 0.00025 0.00071 0.00067 103 13 C 1S -0.00148 0.00048 0.00034 -0.00008 -0.00110 104 2S 0.00319 -0.00116 -0.00074 0.00025 0.00199 105 2PX 0.00054 -0.00018 0.00001 -0.00082 0.00032 106 2PY -0.00818 0.00392 0.00173 -0.00099 -0.00724 107 2PZ -0.00101 0.00006 0.00056 0.00056 -0.00107 108 3S 0.00541 -0.00338 -0.00077 0.00033 0.00250 109 3PX 0.00059 -0.00022 0.00018 -0.00058 0.00018 110 3PY -0.00566 0.00313 0.00045 -0.00110 -0.00318 111 3PZ 0.00002 -0.00023 0.00014 0.00060 -0.00055 112 4XX -0.00023 0.00006 0.00006 0.00005 -0.00021 113 4YY 0.00009 0.00022 -0.00008 -0.00008 0.00034 114 4ZZ -0.00009 -0.00005 0.00001 -0.00003 -0.00021 115 4XY 0.00003 -0.00016 -0.00002 -0.00028 -0.00007 116 4XZ 0.00003 -0.00008 -0.00002 0.00001 -0.00004 117 4YZ -0.00020 0.00002 -0.00012 -0.00009 0.00018 118 14 H 1S -0.00100 -0.00013 0.00010 -0.00069 -0.00105 119 2S -0.00204 -0.00038 -0.00006 -0.00099 -0.00117 120 15 H 1S -0.00155 0.00123 0.00018 0.00082 -0.00098 121 2S -0.00211 0.00239 0.00041 0.00093 -0.00075 122 16 C 1S 0.00168 -0.00512 0.00133 0.00200 -0.00340 123 2S -0.00346 0.00885 -0.00249 -0.00367 0.00664 124 2PX -0.00095 0.00570 0.00081 0.00911 0.00319 125 2PY 0.00950 -0.00773 -0.00065 0.00272 0.00439 126 2PZ 0.00364 0.00068 0.00406 0.00358 -0.00854 127 3S -0.00684 0.01172 -0.00382 -0.00372 0.00655 128 3PX -0.00064 0.00266 0.00044 0.00422 0.00139 129 3PY 0.00362 -0.00391 0.00012 0.00107 0.00182 130 3PZ 0.00256 -0.00033 0.00239 0.00117 -0.00426 131 4XX -0.00029 0.00004 0.00017 -0.00026 -0.00039 132 4YY 0.00085 -0.00055 -0.00004 0.00019 0.00020 133 4ZZ -0.00039 0.00029 0.00001 0.00011 -0.00009 134 4XY -0.00005 -0.00009 -0.00006 -0.00038 -0.00013 135 4XZ 0.00016 0.00052 -0.00012 0.00062 -0.00011 136 4YZ 0.00031 -0.00033 -0.00008 -0.00002 0.00031 137 17 H 1S -0.00287 0.00116 0.00002 -0.00707 -0.00220 138 2S -0.00199 -0.00220 0.00147 -0.00575 -0.00328 139 18 H 1S -0.00242 0.00811 0.00106 0.00402 -0.00144 140 2S -0.00166 0.00534 0.00102 0.00503 -0.00280 141 19 O 1S -0.00013 -0.00024 -0.00001 0.00001 -0.00001 142 2S 0.00025 0.00047 0.00007 0.00013 -0.00003 143 2PX 0.00074 0.00252 0.00087 -0.00149 0.00036 144 2PY 0.00051 -0.00016 -0.00024 -0.00050 0.00001 145 2PZ 0.00126 0.00186 0.00054 -0.00179 0.00037 146 3S 0.00029 0.00152 -0.00019 -0.00050 0.00001 147 3PX 0.00057 0.00228 0.00059 -0.00134 0.00031 148 3PY 0.00046 -0.00020 -0.00018 -0.00030 -0.00001 149 3PZ 0.00102 0.00155 0.00056 -0.00155 0.00033 150 4XX -0.00002 -0.00012 -0.00002 0.00009 0.00000 151 4YY -0.00002 -0.00004 0.00003 0.00004 -0.00001 152 4ZZ -0.00001 0.00003 0.00002 -0.00003 0.00001 153 4XY -0.00005 -0.00008 -0.00001 0.00007 -0.00001 154 4XZ -0.00001 -0.00002 0.00000 0.00001 0.00000 155 4YZ 0.00000 -0.00004 -0.00001 -0.00002 -0.00002 156 20 O 1S 0.00017 0.00016 -0.00005 0.00011 0.00000 157 2S -0.00051 -0.00055 0.00017 -0.00025 0.00013 158 2PX -0.00016 -0.00088 0.00094 0.00017 0.00009 159 2PY 0.00000 -0.00001 0.00031 -0.00046 -0.00005 160 2PZ 0.00057 0.00045 -0.00014 0.00175 0.00007 161 3S 0.00010 0.00027 0.00047 -0.00070 -0.00071 162 3PX 0.00019 -0.00035 0.00083 -0.00011 -0.00009 163 3PY 0.00005 0.00007 0.00030 -0.00019 -0.00017 164 3PZ 0.00055 0.00015 0.00014 0.00076 0.00036 165 4XX -0.00011 -0.00007 -0.00008 0.00020 0.00001 166 4YY 0.00002 -0.00005 0.00002 -0.00001 0.00004 167 4ZZ -0.00003 -0.00002 0.00004 -0.00007 0.00006 168 4XY 0.00001 -0.00005 0.00003 -0.00002 -0.00002 169 4XZ 0.00003 0.00000 -0.00003 -0.00005 0.00000 170 4YZ -0.00004 0.00000 -0.00003 0.00017 0.00002 171 21 C 1S 0.00013 0.00003 0.00003 -0.00016 -0.00007 172 2S -0.00018 0.00009 0.00003 0.00059 0.00011 173 2PX -0.00006 0.00010 0.00012 0.00040 0.00005 174 2PY -0.00002 -0.00026 0.00017 -0.00029 -0.00002 175 2PZ 0.00037 0.00014 0.00013 -0.00018 0.00016 176 3S -0.00020 -0.00002 -0.00016 0.00113 0.00013 177 3PX 0.00012 -0.00010 0.00009 0.00002 0.00009 178 3PY 0.00008 -0.00009 0.00006 -0.00014 0.00004 179 3PZ 0.00041 0.00050 0.00026 -0.00024 0.00028 180 4XX 0.00002 0.00004 0.00004 -0.00007 0.00002 181 4YY 0.00002 0.00002 -0.00003 0.00003 0.00000 182 4ZZ -0.00004 -0.00008 -0.00001 0.00000 -0.00001 183 4XY 0.00002 0.00010 0.00001 -0.00004 0.00001 184 4XZ -0.00002 -0.00001 -0.00002 0.00002 0.00000 185 4YZ 0.00002 0.00009 0.00000 -0.00009 0.00001 186 22 H 1S -0.00012 -0.00023 0.00000 0.00017 -0.00002 187 2S -0.00042 -0.00083 -0.00028 0.00005 -0.00029 188 23 H 1S 0.00009 0.00020 0.00012 -0.00031 0.00004 189 2S 0.00042 0.00041 0.00035 -0.00087 0.00013 46 47 48 49 50 46 4 C 1S 2.05271 47 2S -0.06213 0.32496 48 2PX -0.00133 -0.00226 0.36896 49 2PY 0.00053 0.00162 -0.00011 0.41335 50 2PZ -0.00083 0.00777 -0.03332 -0.00266 0.39023 51 3S -0.16067 0.24766 0.01951 0.01122 -0.02946 52 3PX -0.00664 0.02275 0.18141 -0.01273 0.07523 53 3PY 0.00378 -0.01622 -0.01321 0.13842 -0.02578 54 3PZ 0.00494 -0.01459 0.05969 -0.00573 0.16793 55 4XX -0.01431 -0.00947 -0.00801 -0.00593 -0.00344 56 4YY -0.01700 -0.00308 0.00427 0.01307 -0.00040 57 4ZZ -0.01612 -0.00535 0.00689 -0.01026 -0.00257 58 4XY 0.00088 -0.00123 -0.00498 -0.00024 0.01075 59 4XZ 0.00455 -0.00944 -0.00068 0.00920 0.00219 60 4YZ -0.00203 0.00342 0.00949 -0.00196 -0.01031 61 5 C 1S 0.01672 -0.03254 -0.00479 -0.07797 -0.00359 62 2S -0.03254 0.05577 0.01028 0.16058 0.00091 63 2PX -0.00479 0.01028 0.11575 0.00850 0.08835 64 2PY 0.07797 -0.16058 -0.00850 -0.31236 -0.00040 65 2PZ -0.00359 0.00091 0.08835 0.00040 0.08703 66 3S -0.00467 0.03450 0.00798 0.12660 0.05753 67 3PX -0.00094 -0.00532 0.08532 0.01486 0.03725 68 3PY 0.01400 -0.04349 -0.01551 -0.09114 -0.01191 69 3PZ -0.00371 0.00939 0.04785 -0.01855 0.07392 70 4XX 0.00249 -0.00552 -0.00010 -0.00873 -0.00017 71 4YY -0.00695 0.01218 -0.00108 0.00580 0.00050 72 4ZZ 0.00269 -0.00612 -0.00091 -0.00925 -0.00155 73 4XY 0.00016 0.00021 -0.01297 0.00146 -0.00018 74 4XZ -0.00058 0.00150 0.00061 0.00312 -0.00043 75 4YZ -0.00018 -0.00010 0.00005 0.00022 -0.01358 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 -0.00639 -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 -0.02038 0.03770 -0.02417 -0.04545 82 3PX 0.00436 -0.01394 -0.00491 -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 0.00490 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 0.00040 -0.00107 -0.00591 -0.00079 -0.00432 92 2S 0.00059 -0.00059 -0.02537 -0.00061 -0.01694 93 8 H 1S -0.06016 0.11224 0.13263 -0.13076 -0.18749 94 2S -0.01303 0.02496 0.12150 -0.11785 -0.18087 95 9 H 1S 0.01228 -0.02562 -0.01875 -0.04294 0.01319 96 2S 0.01464 -0.02568 -0.03388 -0.08633 0.03937 97 10 H 1S -0.00849 0.01865 -0.00146 0.03521 0.00130 98 2S -0.01195 0.02528 -0.01055 0.06878 0.00305 99 11 H 1S 0.01211 -0.02453 0.02455 0.03575 -0.01201 100 2S 0.01361 -0.02471 0.04780 0.07142 -0.01045 101 12 H 1S 0.00083 -0.00296 0.02683 -0.00212 0.02058 102 2S 0.00005 -0.00132 0.01968 -0.00411 0.00494 103 13 C 1S -0.00267 0.00503 -0.00128 0.00375 0.00577 104 2S 0.00479 -0.00883 -0.00214 -0.00681 -0.01508 105 2PX 0.00207 -0.00443 -0.00674 -0.00762 -0.00880 106 2PY -0.00390 0.00856 -0.02849 -0.01160 0.00380 107 2PZ -0.00787 0.01255 0.01133 0.02367 0.02038 108 3S 0.01324 -0.02297 0.02356 -0.03018 -0.00946 109 3PX 0.00105 -0.00171 -0.00051 -0.00182 -0.00166 110 3PY -0.00348 0.00737 -0.02761 -0.00891 -0.00192 111 3PZ -0.00485 0.00736 0.00615 0.02432 0.00453 112 4XX -0.00029 0.00034 0.00037 -0.00022 0.00077 113 4YY -0.00010 0.00024 -0.00060 0.00192 -0.00177 114 4ZZ 0.00024 -0.00041 -0.00010 -0.00197 0.00059 115 4XY -0.00007 0.00035 -0.00023 -0.00100 0.00059 116 4XZ -0.00019 0.00044 0.00102 0.00088 0.00064 117 4YZ 0.00020 -0.00082 0.00129 0.00015 -0.00008 118 14 H 1S -0.00137 0.00184 0.00285 -0.00018 0.00657 119 2S -0.00228 0.00336 0.01502 -0.00379 0.01956 120 15 H 1S -0.00059 0.00017 -0.00193 0.00229 -0.00061 121 2S -0.00092 -0.00024 -0.00533 0.00699 -0.00761 122 16 C 1S -0.00300 0.00562 -0.00514 -0.00155 0.01145 123 2S 0.00650 -0.01506 0.01443 0.00592 -0.02805 124 2PX 0.00839 -0.02186 -0.00070 0.01087 -0.03289 125 2PY -0.00131 0.00319 -0.00228 0.00421 0.00689 126 2PZ -0.01208 0.03132 -0.04903 -0.00703 0.02308 127 3S 0.00759 -0.01648 -0.00176 -0.01090 -0.07811 128 3PX 0.00454 -0.00903 -0.00130 0.00744 -0.01496 129 3PY -0.00411 0.00872 -0.00734 0.00450 0.02097 130 3PZ -0.00802 0.01863 -0.04076 0.00837 0.02260 131 4XX -0.00114 0.00235 0.00086 -0.00219 0.00525 132 4YY 0.00068 -0.00152 0.00310 0.00171 -0.00200 133 4ZZ -0.00030 0.00017 -0.00630 -0.00096 -0.00132 134 4XY -0.00024 0.00073 -0.00134 0.00013 -0.00012 135 4XZ 0.00130 -0.00293 -0.00157 0.00304 -0.00928 136 4YZ 0.00054 -0.00141 0.00384 0.00173 -0.00056 137 17 H 1S -0.00759 0.01927 -0.00234 -0.01532 0.03244 138 2S -0.01116 0.02904 0.00204 -0.02105 0.07097 139 18 H 1S 0.00158 -0.00347 -0.02933 0.00309 -0.02866 140 2S 0.00142 -0.00405 -0.02929 -0.00013 -0.02535 141 19 O 1S 0.00003 0.00038 0.00239 -0.00041 0.00198 142 2S 0.00010 -0.00105 -0.00426 0.00032 -0.00298 143 2PX -0.00146 0.00392 -0.04302 0.00710 -0.03015 144 2PY 0.00082 0.00068 -0.00102 -0.00082 -0.00200 145 2PZ -0.00083 0.00296 -0.03260 0.00412 -0.02206 146 3S -0.00062 -0.00217 -0.01711 0.00387 -0.01807 147 3PX -0.00134 0.00261 -0.03878 0.00824 -0.03032 148 3PY 0.00076 0.00013 -0.00031 -0.00031 -0.00157 149 3PZ -0.00103 0.00346 -0.03012 0.00421 -0.01983 150 4XX 0.00009 -0.00010 0.00275 -0.00069 0.00236 151 4YY 0.00004 0.00005 0.00045 -0.00012 0.00073 152 4ZZ 0.00015 -0.00011 -0.00128 -0.00009 -0.00096 153 4XY 0.00003 -0.00009 0.00141 -0.00026 0.00123 154 4XZ -0.00002 0.00004 0.00042 -0.00002 0.00035 155 4YZ -0.00002 0.00009 0.00003 0.00013 0.00002 156 20 O 1S 0.00025 -0.00140 0.00322 0.00047 0.00086 157 2S -0.00129 0.00318 -0.00264 -0.00153 0.00028 158 2PX -0.00317 0.01246 -0.00852 -0.00185 0.00690 159 2PY 0.00082 0.00223 -0.00005 0.00070 -0.00066 160 2PZ -0.00062 0.00105 -0.00172 0.00194 0.00447 161 3S 0.00114 0.00790 -0.03873 -0.00182 -0.01427 162 3PX -0.00189 0.01050 -0.01370 -0.00021 0.00372 163 3PY 0.00093 0.00179 -0.00430 0.00012 -0.00181 164 3PZ -0.00173 0.00208 0.00206 0.00177 0.00527 165 4XX -0.00008 -0.00055 0.00230 -0.00019 0.00099 166 4YY -0.00033 -0.00005 0.00142 -0.00003 0.00070 167 4ZZ -0.00035 0.00000 0.00131 -0.00040 0.00115 168 4XY -0.00003 0.00064 -0.00059 -0.00017 0.00032 169 4XZ -0.00017 -0.00006 0.00018 0.00001 -0.00009 170 4YZ -0.00007 -0.00021 0.00132 -0.00016 0.00089 171 21 C 1S -0.00034 0.00050 -0.00186 -0.00057 -0.00048 172 2S 0.00067 -0.00179 0.00525 0.00021 0.00168 173 2PX 0.00089 -0.00226 0.00498 0.00063 0.00144 174 2PY -0.00109 0.00156 -0.00103 -0.00156 0.00201 175 2PZ 0.00031 0.00003 -0.00697 0.00135 -0.00801 176 3S 0.00165 -0.00332 0.01103 0.00436 0.00235 177 3PX -0.00030 0.00055 0.00236 0.00139 0.00356 178 3PY -0.00028 0.00057 -0.00141 -0.00024 -0.00166 179 3PZ -0.00027 0.00123 -0.01151 0.00190 -0.00959 180 4XX -0.00023 0.00067 -0.00161 -0.00012 -0.00048 181 4YY 0.00009 -0.00031 0.00023 0.00001 0.00004 182 4ZZ 0.00007 -0.00029 0.00126 -0.00012 0.00031 183 4XY 0.00002 -0.00031 -0.00120 0.00028 -0.00135 184 4XZ 0.00002 -0.00015 0.00061 -0.00025 0.00047 185 4YZ 0.00011 -0.00011 -0.00132 0.00029 -0.00148 186 22 H 1S 0.00063 -0.00138 0.00487 -0.00007 0.00085 187 2S 0.00066 -0.00226 0.01323 -0.00430 0.00872 188 23 H 1S -0.00094 0.00273 -0.00763 0.00023 -0.00253 189 2S -0.00199 0.00547 -0.01684 0.00112 -0.00555 51 52 53 54 55 51 3S 0.25010 52 3PX 0.00529 0.12000 53 3PY 0.00772 -0.02131 0.06237 54 3PZ -0.01272 0.06577 -0.01396 0.09329 55 4XX -0.00562 -0.00526 0.00006 -0.00248 0.00092 56 4YY -0.00311 0.00157 0.00297 0.00079 -0.00023 57 4ZZ -0.00246 0.00263 -0.00301 0.00046 0.00022 58 4XY -0.00261 0.00016 0.00037 0.00330 0.00019 59 4XZ -0.00814 -0.00040 0.00261 0.00111 0.00007 60 4YZ 0.00706 0.00159 0.00072 -0.00212 0.00003 61 5 C 1S -0.00467 -0.00094 -0.01400 -0.00371 0.00249 62 2S 0.03450 -0.00532 0.04349 0.00939 -0.00552 63 2PX 0.00798 0.08532 0.01551 0.04785 -0.00010 64 2PY -0.12660 -0.01486 -0.09114 0.01855 0.00873 65 2PZ 0.05753 0.03725 0.01191 0.07392 -0.00017 66 3S -0.01750 0.01591 0.01404 0.02529 -0.00630 67 3PX 0.01591 0.04729 0.01987 0.03343 0.00086 68 3PY -0.01404 -0.01987 -0.01363 0.00058 0.00383 69 3PZ 0.02529 0.03343 -0.00058 0.04481 0.00015 70 4XX -0.00630 0.00086 -0.00383 0.00015 0.00022 71 4YY 0.01205 0.00009 0.00269 -0.00090 -0.00029 72 4ZZ -0.00574 -0.00114 -0.00259 -0.00105 0.00036 73 4XY -0.00225 -0.00623 0.00083 -0.00341 0.00031 74 4XZ 0.00359 0.00029 0.00186 -0.00022 0.00000 75 4YZ 0.00428 -0.00435 0.00192 -0.00545 0.00020 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 0.05034 -0.04989 0.02124 0.00966 0.00314 79 2PY 0.09132 -0.00084 0.05079 -0.00106 0.00096 80 2PZ -0.01050 -0.00962 0.00765 -0.02947 0.00187 81 3S -0.00894 0.00720 -0.01228 -0.00387 0.00001 82 3PX 0.03723 -0.03354 0.01961 -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 0.00409 -0.00039 0.00388 0.00008 86 4YY 0.00672 -0.00057 0.00498 -0.00061 -0.00015 87 4ZZ -0.00420 -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 0.00813 -0.00940 0.00345 -0.00179 0.00094 92 2S 0.00618 -0.02184 0.00528 -0.01228 0.00117 93 8 H 1S 0.11509 0.03241 -0.03912 -0.05972 -0.00192 94 2S 0.05423 0.01788 -0.02558 -0.05145 0.00069 95 9 H 1S -0.06038 0.00249 -0.01989 -0.00279 0.00081 96 2S -0.06760 0.00572 -0.03824 0.00226 0.00160 97 10 H 1S 0.05609 -0.00088 0.03258 -0.00069 -0.00029 98 2S 0.06423 -0.00665 0.04800 -0.00210 -0.00007 99 11 H 1S -0.06201 0.01713 0.00229 -0.00667 -0.00145 100 2S -0.05922 0.02896 0.00593 -0.00120 -0.00308 101 12 H 1S -0.00649 0.02164 -0.00339 0.01690 -0.00102 102 2S -0.00200 0.01156 -0.00512 0.00921 -0.00140 103 13 C 1S 0.01091 -0.00010 0.00349 0.00343 0.00000 104 2S -0.02105 -0.00217 -0.00597 -0.00990 0.00002 105 2PX -0.01309 -0.00581 -0.01726 -0.00097 -0.00032 106 2PY 0.01906 -0.01994 -0.00708 -0.00331 0.00082 107 2PZ 0.07871 -0.00220 0.02449 0.03398 -0.00066 108 3S -0.06110 0.01893 -0.02945 -0.00436 -0.00151 109 3PX -0.00819 -0.00076 -0.00912 0.00003 -0.00052 110 3PY 0.01690 -0.01748 -0.00055 -0.00540 0.00108 111 3PZ 0.04098 -0.00210 0.01698 0.01557 -0.00033 112 4XX 0.00343 -0.00067 0.00109 0.00115 0.00006 113 4YY 0.00111 -0.00062 0.00183 -0.00139 0.00004 114 4ZZ -0.00283 0.00075 -0.00254 0.00033 -0.00006 115 4XY 0.00078 -0.00013 -0.00123 0.00081 0.00002 116 4XZ 0.00000 0.00164 -0.00060 0.00082 -0.00009 117 4YZ 0.00127 -0.00001 0.00086 0.00131 0.00003 118 14 H 1S 0.02055 -0.00050 -0.00488 0.01533 -0.00054 119 2S 0.01847 0.01192 -0.00768 0.02316 -0.00055 120 15 H 1S 0.01949 -0.00704 0.01408 0.00038 0.00055 121 2S 0.02802 -0.01616 0.02154 -0.00397 0.00080 122 16 C 1S 0.00523 -0.00086 -0.00403 0.00806 -0.00046 123 2S -0.00899 -0.00033 0.00849 -0.01522 0.00036 124 2PX -0.02770 -0.00835 0.02935 -0.02850 0.00027 125 2PY -0.00917 0.00778 0.00647 0.00236 -0.00009 126 2PZ 0.00220 -0.01027 -0.03196 -0.00729 -0.00133 127 3S 0.01673 -0.02532 0.02144 -0.03851 0.00276 128 3PX -0.00631 -0.00640 0.01540 -0.01190 0.00006 129 3PY 0.01092 0.00283 0.00708 0.00932 0.00007 130 3PZ -0.00610 -0.00785 -0.01123 -0.00484 -0.00042 131 4XX 0.00156 0.00185 -0.00296 0.00260 -0.00019 132 4YY -0.00276 0.00146 -0.00003 -0.00033 -0.00015 133 4ZZ 0.00089 -0.00367 0.00188 -0.00192 0.00036 134 4XY 0.00124 -0.00085 -0.00104 0.00037 0.00004 135 4XZ -0.00203 -0.00284 0.00236 -0.00494 0.00027 136 4YZ 0.00073 0.00128 0.00183 0.00127 -0.00005 137 17 H 1S 0.01770 0.00667 -0.02873 0.01867 -0.00089 138 2S 0.02303 0.01667 -0.03781 0.03879 -0.00252 139 18 H 1S -0.01230 -0.01935 0.00436 -0.03019 0.00081 140 2S -0.01121 -0.01788 0.00456 -0.02563 0.00164 141 19 O 1S -0.00543 0.00315 -0.00232 0.00044 0.00000 142 2S 0.01365 -0.00674 0.00621 0.00084 0.00009 143 2PX 0.02272 -0.04386 0.01549 -0.02318 -0.00031 144 2PY -0.01674 0.00767 -0.00398 -0.01234 0.00001 145 2PZ 0.01045 -0.03159 0.00333 -0.02613 -0.00068 146 3S 0.01897 -0.01955 0.00642 -0.00832 -0.00044 147 3PX 0.01853 -0.03921 0.01308 -0.02231 -0.00021 148 3PY -0.01305 0.00583 -0.00227 -0.00876 0.00012 149 3PZ 0.01212 -0.02959 0.00471 -0.02175 -0.00053 150 4XX -0.00048 0.00241 -0.00063 0.00160 0.00002 151 4YY 0.00033 0.00017 0.00018 0.00088 0.00002 152 4ZZ -0.00012 -0.00105 0.00029 -0.00081 0.00007 153 4XY -0.00099 0.00170 -0.00061 0.00083 0.00003 154 4XZ -0.00059 0.00058 -0.00016 0.00001 -0.00001 155 4YZ 0.00005 0.00005 -0.00005 0.00032 -0.00003 156 20 O 1S 0.00079 0.00142 0.00426 0.00192 0.00007 157 2S -0.00745 0.00210 -0.00989 -0.00330 -0.00017 158 2PX 0.01266 -0.00817 -0.01628 0.00864 -0.00236 159 2PY -0.03844 0.01578 0.00469 -0.01122 0.00047 160 2PZ 0.04572 -0.02054 -0.00926 0.01855 -0.00184 161 3S 0.00170 -0.02452 -0.01278 -0.01832 -0.00011 162 3PX 0.01067 -0.01123 -0.01247 0.00387 -0.00200 163 3PY -0.02536 0.00767 0.00281 -0.00920 0.00036 164 3PZ 0.03138 -0.01284 -0.00865 0.01390 -0.00202 165 4XX 0.00069 0.00147 0.00013 0.00155 0.00013 166 4YY -0.00216 0.00173 0.00044 0.00007 0.00000 167 4ZZ -0.00044 0.00103 -0.00032 0.00067 -0.00012 168 4XY -0.00004 -0.00020 -0.00066 0.00002 -0.00009 169 4XZ 0.00101 -0.00032 0.00012 0.00034 0.00002 170 4YZ 0.00164 0.00030 -0.00037 0.00151 -0.00002 171 21 C 1S 0.00279 -0.00243 -0.00033 -0.00011 -0.00014 172 2S -0.00557 0.00496 0.00172 0.00179 0.00027 173 2PX -0.01185 0.00676 0.00378 0.00029 0.00038 174 2PY 0.00972 -0.00403 -0.00216 0.00347 -0.00025 175 2PZ -0.00517 -0.00459 0.00088 -0.00842 -0.00017 176 3S -0.00761 0.00955 0.00351 0.00353 0.00052 177 3PX -0.00088 0.00233 0.00134 0.00239 0.00000 178 3PY -0.00171 -0.00067 -0.00043 -0.00242 0.00004 179 3PZ 0.00308 -0.01174 0.00035 -0.00790 -0.00057 180 4XX 0.00206 -0.00194 -0.00033 -0.00015 -0.00011 181 4YY 0.00078 -0.00019 -0.00022 0.00015 0.00000 182 4ZZ -0.00281 0.00202 0.00041 -0.00013 0.00010 183 4XY 0.00118 -0.00160 0.00109 -0.00084 0.00006 184 4XZ 0.00047 0.00030 -0.00028 0.00039 0.00001 185 4YZ -0.00189 -0.00040 0.00074 -0.00206 0.00009 186 22 H 1S -0.01206 0.00794 0.00186 -0.00143 0.00039 187 2S -0.01736 0.01860 0.00056 0.00368 0.00096 188 23 H 1S 0.01090 -0.00930 -0.00200 -0.00085 -0.00050 189 2S 0.01797 -0.01862 -0.00257 -0.00355 -0.00101 56 57 58 59 60 56 4YY 0.00114 57 4ZZ -0.00019 0.00089 58 4XY 0.00000 -0.00032 0.00095 59 4XZ 0.00048 -0.00026 0.00017 0.00067 60 4YZ -0.00014 0.00011 -0.00042 -0.00028 0.00117 61 5 C 1S -0.00695 0.00269 -0.00016 -0.00058 0.00018 62 2S 0.01218 -0.00612 -0.00021 0.00150 0.00010 63 2PX -0.00108 -0.00091 0.01297 0.00061 -0.00005 64 2PY -0.00580 0.00925 0.00146 -0.00312 0.00022 65 2PZ 0.00050 -0.00155 0.00018 -0.00043 0.01358 66 3S 0.01205 -0.00574 0.00225 0.00359 -0.00428 67 3PX 0.00009 -0.00114 0.00623 0.00029 0.00435 68 3PY -0.00269 0.00259 0.00083 -0.00186 0.00192 69 3PZ -0.00090 -0.00105 0.00341 -0.00022 0.00545 70 4XX -0.00029 0.00036 -0.00031 0.00000 -0.00020 71 4YY -0.00016 -0.00028 0.00013 -0.00023 0.00009 72 4ZZ -0.00028 0.00033 0.00028 -0.00005 -0.00003 73 4XY -0.00013 -0.00028 0.00043 0.00005 -0.00050 74 4XZ -0.00023 -0.00005 -0.00005 0.00004 0.00011 75 4YZ -0.00009 0.00003 -0.00050 -0.00011 0.00081 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 0.01076 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 0.00456 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 -0.00043 -0.00017 0.00129 -0.00016 0.00121 92 2S -0.00052 -0.00024 0.00125 -0.00024 0.00070 93 8 H 1S -0.00407 0.00550 -0.00785 -0.00827 0.01087 94 2S -0.00362 0.00647 -0.00774 -0.00608 0.01062 95 9 H 1S 0.00186 0.00080 0.00512 0.00002 -0.00716 96 2S -0.00151 0.00192 0.00529 -0.00049 -0.00783 97 10 H 1S -0.00127 -0.00082 0.00167 0.00027 -0.00090 98 2S -0.00118 -0.00192 0.00249 0.00048 -0.00055 99 11 H 1S 0.00806 -0.00273 0.00411 0.00313 -0.00349 100 2S 0.00889 -0.00329 0.00215 0.00474 -0.00262 101 12 H 1S 0.00002 0.00110 -0.00076 0.00068 -0.00057 102 2S 0.00026 0.00140 -0.00166 0.00025 -0.00089 103 13 C 1S -0.00020 -0.00037 -0.00004 -0.00009 0.00021 104 2S 0.00036 0.00057 0.00040 0.00017 -0.00066 105 2PX -0.00065 0.00085 -0.00037 -0.00006 -0.00122 106 2PY -0.00190 0.00047 -0.00034 -0.00073 -0.00083 107 2PZ 0.00059 -0.00074 -0.00159 0.00000 0.00020 108 3S 0.00205 0.00193 -0.00050 0.00079 -0.00335 109 3PX 0.00004 0.00043 -0.00021 0.00014 -0.00073 110 3PY -0.00223 0.00055 -0.00015 -0.00102 -0.00066 111 3PZ 0.00057 -0.00069 -0.00145 0.00003 0.00060 112 4XX 0.00000 -0.00005 0.00006 -0.00003 0.00020 113 4YY -0.00008 0.00000 0.00012 -0.00001 0.00000 114 4ZZ 0.00004 0.00005 -0.00026 0.00002 -0.00013 115 4XY -0.00002 -0.00008 0.00008 0.00002 0.00000 116 4XZ -0.00005 0.00005 -0.00014 0.00004 -0.00038 117 4YZ -0.00008 0.00019 -0.00027 -0.00018 0.00006 118 14 H 1S -0.00031 0.00069 -0.00159 -0.00023 -0.00150 119 2S -0.00064 0.00071 -0.00181 -0.00036 -0.00143 120 15 H 1S 0.00013 -0.00008 0.00000 -0.00035 0.00131 121 2S 0.00006 -0.00013 0.00028 -0.00060 0.00304 122 16 C 1S 0.00081 -0.00156 0.00079 0.00073 -0.00027 123 2S -0.00158 0.00302 -0.00173 -0.00157 0.00069 124 2PX -0.00138 0.00377 -0.00102 -0.00129 0.00015 125 2PY 0.00124 -0.00210 0.00250 0.00116 0.00024 126 2PZ 0.00397 -0.00733 0.00402 0.00608 -0.00074 127 3S -0.00435 0.00350 -0.00172 -0.00278 0.00357 128 3PX -0.00070 0.00170 -0.00039 -0.00059 0.00017 129 3PY -0.00008 -0.00119 0.00209 0.00026 -0.00024 130 3PZ 0.00203 -0.00435 0.00270 0.00305 -0.00127 131 4XX 0.00007 -0.00013 0.00006 0.00013 -0.00012 132 4YY 0.00035 -0.00004 0.00000 0.00017 -0.00008 133 4ZZ -0.00033 0.00002 0.00010 -0.00024 0.00004 134 4XY -0.00002 -0.00015 0.00001 0.00004 0.00002 135 4XZ 0.00010 -0.00019 0.00001 0.00024 0.00032 136 4YZ 0.00011 0.00019 -0.00008 -0.00013 -0.00005 137 17 H 1S 0.00033 -0.00156 0.00015 0.00073 -0.00083 138 2S 0.00077 -0.00124 0.00046 0.00081 -0.00265 139 18 H 1S -0.00014 -0.00072 0.00062 0.00133 0.00077 140 2S -0.00013 -0.00169 0.00141 0.00151 0.00146 141 19 O 1S -0.00004 0.00000 0.00015 0.00004 0.00002 142 2S 0.00004 -0.00011 -0.00016 -0.00009 0.00007 143 2PX 0.00041 0.00058 0.00003 -0.00051 0.00033 144 2PY 0.00024 0.00028 -0.00001 0.00026 -0.00006 145 2PZ 0.00034 0.00066 0.00025 -0.00007 -0.00020 146 3S 0.00028 0.00054 -0.00178 -0.00022 -0.00067 147 3PX 0.00031 0.00046 -0.00025 -0.00043 0.00025 148 3PY 0.00018 0.00004 0.00020 0.00024 0.00007 149 3PZ 0.00030 0.00051 0.00043 -0.00015 -0.00008 150 4XX -0.00002 -0.00001 0.00007 0.00002 0.00004 151 4YY -0.00002 -0.00004 0.00007 0.00000 0.00003 152 4ZZ -0.00002 -0.00003 0.00009 -0.00001 0.00008 153 4XY -0.00003 -0.00003 0.00002 0.00002 -0.00001 154 4XZ 0.00000 0.00000 0.00001 0.00001 -0.00001 155 4YZ 0.00002 0.00000 -0.00006 0.00000 -0.00005 156 20 O 1S -0.00006 -0.00013 -0.00001 0.00007 0.00018 157 2S 0.00022 0.00056 -0.00003 -0.00008 -0.00030 158 2PX 0.00167 0.00254 -0.00170 -0.00035 -0.00253 159 2PY 0.00014 0.00020 0.00006 0.00047 0.00051 160 2PZ 0.00100 0.00209 -0.00139 -0.00009 -0.00235 161 3S 0.00019 0.00009 0.00011 -0.00016 -0.00123 162 3PX 0.00128 0.00180 -0.00141 -0.00017 -0.00239 163 3PY 0.00012 0.00005 0.00014 0.00034 0.00031 164 3PZ 0.00108 0.00199 -0.00138 -0.00012 -0.00209 165 4XX -0.00005 -0.00002 0.00009 0.00000 0.00014 166 4YY 0.00002 0.00003 0.00000 0.00002 0.00005 167 4ZZ 0.00001 0.00007 -0.00009 -0.00001 -0.00008 168 4XY 0.00007 0.00009 -0.00006 0.00000 -0.00010 169 4XZ -0.00001 -0.00003 0.00001 -0.00002 0.00002 170 4YZ 0.00000 0.00006 -0.00002 -0.00001 -0.00002 171 21 C 1S -0.00001 -0.00005 -0.00008 -0.00009 -0.00010 172 2S -0.00017 0.00000 0.00016 0.00011 0.00026 173 2PX -0.00030 -0.00020 0.00014 0.00023 0.00037 174 2PY -0.00004 -0.00020 0.00006 -0.00024 -0.00019 175 2PZ 0.00010 0.00011 -0.00029 -0.00014 -0.00024 176 3S -0.00031 -0.00026 0.00027 0.00021 0.00048 177 3PX 0.00001 -0.00012 0.00013 0.00011 0.00014 178 3PY 0.00003 -0.00003 0.00009 -0.00008 0.00011 179 3PZ 0.00029 0.00067 -0.00046 -0.00021 -0.00057 180 4XX 0.00009 0.00013 -0.00005 -0.00004 -0.00009 181 4YY -0.00002 0.00000 0.00001 0.00002 -0.00002 182 4ZZ -0.00006 -0.00011 0.00004 0.00001 0.00009 183 4XY -0.00004 -0.00008 0.00006 -0.00002 0.00010 184 4XZ -0.00002 -0.00001 0.00002 0.00000 0.00001 185 4YZ -0.00003 -0.00004 0.00007 0.00001 0.00012 186 22 H 1S -0.00023 -0.00041 0.00014 0.00006 0.00038 187 2S -0.00051 -0.00114 0.00053 0.00017 0.00089 188 23 H 1S 0.00037 0.00047 -0.00021 -0.00017 -0.00044 189 2S 0.00070 0.00082 -0.00047 -0.00027 -0.00086 61 62 63 64 65 61 5 C 1S 2.05271 62 2S -0.06213 0.32496 63 2PX -0.00133 -0.00226 0.36896 64 2PY -0.00053 -0.00162 0.00011 0.41335 65 2PZ -0.00083 0.00777 -0.03332 0.00266 0.39023 66 3S -0.16067 0.24766 0.01951 -0.01122 -0.02946 67 3PX -0.00664 0.02275 0.18141 0.01273 0.07523 68 3PY -0.00378 0.01621 0.01321 0.13842 0.02578 69 3PZ 0.00494 -0.01459 0.05969 0.00573 0.16793 70 4XX -0.01431 -0.00947 -0.00801 0.00593 -0.00344 71 4YY -0.01700 -0.00308 0.00427 -0.01307 -0.00040 72 4ZZ -0.01612 -0.00535 0.00689 0.01026 -0.00257 73 4XY -0.00088 0.00123 0.00498 -0.00024 -0.01075 74 4XZ 0.00455 -0.00944 -0.00068 -0.00920 0.00219 75 4YZ 0.00203 -0.00342 -0.00949 -0.00196 0.01031 76 6 C 1S 0.01788 -0.03602 0.05991 -0.03620 -0.04301 77 2S -0.03384 0.06175 -0.12166 0.07534 0.08348 78 2PX -0.05514 0.11749 0.00708 0.13525 0.24258 79 2PY 0.03905 -0.07545 0.13785 -0.05072 -0.06403 80 2PZ 0.04364 -0.08981 0.21173 -0.08012 -0.01517 81 3S -0.00917 0.03346 -0.13111 0.05000 0.09079 82 3PX -0.01230 0.03508 0.04974 0.06231 0.12907 83 3PY 0.00984 -0.02572 0.05357 -0.00539 -0.02376 84 3PZ 0.00436 -0.01208 0.09570 -0.03267 0.02874 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 0.00345 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 0.00180 91 7 H 1S 0.00083 -0.00296 0.02683 0.00212 0.02058 92 2S 0.00005 -0.00132 0.01968 0.00411 0.00494 93 8 H 1S 0.01228 -0.02562 -0.01875 0.04294 0.01319 94 2S 0.01464 -0.02568 -0.03388 0.08633 0.03937 95 9 H 1S -0.06016 0.11224 0.13263 0.13076 -0.18749 96 2S -0.01303 0.02496 0.12150 0.11785 -0.18087 97 10 H 1S 0.01211 -0.02453 0.02455 -0.03575 -0.01201 98 2S 0.01361 -0.02471 0.04780 -0.07142 -0.01045 99 11 H 1S -0.00849 0.01865 -0.00146 -0.03521 0.00130 100 2S -0.01195 0.02528 -0.01055 -0.06878 0.00305 101 12 H 1S 0.00040 -0.00107 -0.00591 0.00079 -0.00432 102 2S 0.00059 -0.00059 -0.02537 0.00061 -0.01694 103 13 C 1S -0.00300 0.00562 -0.00514 0.00155 0.01145 104 2S 0.00650 -0.01506 0.01443 -0.00592 -0.02805 105 2PX 0.00839 -0.02186 -0.00070 -0.01087 -0.03289 106 2PY 0.00131 -0.00319 0.00228 0.00421 -0.00689 107 2PZ -0.01208 0.03132 -0.04903 0.00703 0.02308 108 3S 0.00759 -0.01648 -0.00176 0.01090 -0.07811 109 3PX 0.00454 -0.00903 -0.00130 -0.00744 -0.01496 110 3PY 0.00411 -0.00872 0.00734 0.00450 -0.02097 111 3PZ -0.00802 0.01863 -0.04076 -0.00837 0.02260 112 4XX -0.00114 0.00235 0.00086 0.00219 0.00525 113 4YY 0.00068 -0.00152 0.00310 -0.00171 -0.00200 114 4ZZ -0.00030 0.00017 -0.00630 0.00096 -0.00132 115 4XY 0.00024 -0.00073 0.00134 0.00013 0.00012 116 4XZ 0.00130 -0.00293 -0.00157 -0.00304 -0.00928 117 4YZ -0.00054 0.00141 -0.00384 0.00173 0.00056 118 14 H 1S 0.00158 -0.00347 -0.02933 -0.00309 -0.02866 119 2S 0.00142 -0.00405 -0.02929 0.00013 -0.02535 120 15 H 1S -0.00759 0.01927 -0.00234 0.01532 0.03244 121 2S -0.01116 0.02904 0.00204 0.02105 0.07097 122 16 C 1S -0.00267 0.00503 -0.00128 -0.00375 0.00577 123 2S 0.00479 -0.00883 -0.00214 0.00681 -0.01508 124 2PX 0.00207 -0.00443 -0.00674 0.00762 -0.00880 125 2PY 0.00390 -0.00856 0.02849 -0.01160 -0.00380 126 2PZ -0.00787 0.01255 0.01133 -0.02367 0.02038 127 3S 0.01324 -0.02297 0.02356 0.03018 -0.00946 128 3PX 0.00105 -0.00171 -0.00051 0.00182 -0.00166 129 3PY 0.00348 -0.00737 0.02761 -0.00891 0.00192 130 3PZ -0.00485 0.00736 0.00615 -0.02432 0.00453 131 4XX -0.00029 0.00034 0.00037 0.00022 0.00077 132 4YY -0.00010 0.00024 -0.00060 -0.00192 -0.00177 133 4ZZ 0.00024 -0.00041 -0.00010 0.00197 0.00059 134 4XY 0.00007 -0.00035 0.00023 -0.00100 -0.00059 135 4XZ -0.00019 0.00044 0.00102 -0.00088 0.00064 136 4YZ -0.00020 0.00082 -0.00129 0.00015 0.00008 137 17 H 1S -0.00059 0.00017 -0.00193 -0.00229 -0.00061 138 2S -0.00092 -0.00024 -0.00533 -0.00699 -0.00761 139 18 H 1S -0.00137 0.00184 0.00285 0.00018 0.00657 140 2S -0.00228 0.00336 0.01502 0.00379 0.01956 141 19 O 1S 0.00025 -0.00140 0.00322 -0.00047 0.00086 142 2S -0.00129 0.00318 -0.00264 0.00153 0.00028 143 2PX -0.00317 0.01246 -0.00852 0.00185 0.00690 144 2PY -0.00082 -0.00223 0.00005 0.00070 0.00066 145 2PZ -0.00062 0.00105 -0.00172 -0.00194 0.00447 146 3S 0.00114 0.00790 -0.03873 0.00182 -0.01427 147 3PX -0.00189 0.01050 -0.01370 0.00021 0.00372 148 3PY -0.00093 -0.00179 0.00430 0.00012 0.00181 149 3PZ -0.00173 0.00208 0.00206 -0.00177 0.00527 150 4XX -0.00008 -0.00055 0.00230 0.00019 0.00099 151 4YY -0.00033 -0.00005 0.00142 0.00003 0.00070 152 4ZZ -0.00035 0.00000 0.00131 0.00040 0.00115 153 4XY 0.00003 -0.00064 0.00059 -0.00017 -0.00032 154 4XZ -0.00017 -0.00006 0.00018 -0.00001 -0.00009 155 4YZ 0.00007 0.00021 -0.00132 -0.00016 -0.00089 156 20 O 1S 0.00003 0.00038 0.00239 0.00041 0.00198 157 2S 0.00010 -0.00105 -0.00426 -0.00032 -0.00298 158 2PX -0.00146 0.00392 -0.04302 -0.00710 -0.03015 159 2PY -0.00082 -0.00068 0.00102 -0.00082 0.00200 160 2PZ -0.00083 0.00296 -0.03260 -0.00412 -0.02206 161 3S -0.00062 -0.00217 -0.01711 -0.00387 -0.01807 162 3PX -0.00134 0.00261 -0.03878 -0.00824 -0.03032 163 3PY -0.00076 -0.00013 0.00031 -0.00031 0.00157 164 3PZ -0.00103 0.00346 -0.03012 -0.00421 -0.01983 165 4XX 0.00009 -0.00010 0.00275 0.00069 0.00236 166 4YY 0.00004 0.00005 0.00045 0.00012 0.00073 167 4ZZ 0.00015 -0.00011 -0.00128 0.00009 -0.00096 168 4XY -0.00003 0.00009 -0.00141 -0.00026 -0.00123 169 4XZ -0.00002 0.00004 0.00042 0.00002 0.00035 170 4YZ 0.00002 -0.00009 -0.00003 0.00013 -0.00002 171 21 C 1S -0.00034 0.00050 -0.00186 0.00057 -0.00048 172 2S 0.00067 -0.00179 0.00525 -0.00021 0.00168 173 2PX 0.00089 -0.00226 0.00498 -0.00063 0.00144 174 2PY 0.00109 -0.00156 0.00103 -0.00156 -0.00201 175 2PZ 0.00031 0.00003 -0.00697 -0.00135 -0.00801 176 3S 0.00165 -0.00332 0.01103 -0.00436 0.00235 177 3PX -0.00030 0.00055 0.00236 -0.00139 0.00356 178 3PY 0.00028 -0.00057 0.00141 -0.00024 0.00166 179 3PZ -0.00027 0.00123 -0.01151 -0.00190 -0.00959 180 4XX -0.00023 0.00067 -0.00161 0.00012 -0.00048 181 4YY 0.00009 -0.00031 0.00023 -0.00001 0.00004 182 4ZZ 0.00007 -0.00029 0.00126 0.00012 0.00031 183 4XY -0.00002 0.00031 0.00120 0.00028 0.00135 184 4XZ 0.00002 -0.00015 0.00061 0.00025 0.00047 185 4YZ -0.00011 0.00011 0.00132 0.00029 0.00148 186 22 H 1S 0.00063 -0.00138 0.00487 0.00007 0.00085 187 2S 0.00066 -0.00226 0.01323 0.00430 0.00872 188 23 H 1S -0.00094 0.00273 -0.00763 -0.00023 -0.00253 189 2S -0.00199 0.00547 -0.01684 -0.00112 -0.00555 66 67 68 69 70 66 3S 0.25010 67 3PX 0.00529 0.12000 68 3PY -0.00772 0.02131 0.06237 69 3PZ -0.01272 0.06577 0.01396 0.09329 70 4XX -0.00562 -0.00526 -0.00006 -0.00248 0.00092 71 4YY -0.00311 0.00157 -0.00297 0.00079 -0.00023 72 4ZZ -0.00246 0.00263 0.00301 0.00046 0.00022 73 4XY 0.00261 -0.00016 0.00037 -0.00330 -0.00019 74 4XZ -0.00814 -0.00040 -0.00261 0.00111 0.00007 75 4YZ -0.00706 -0.00159 0.00072 0.00212 -0.00003 76 6 C 1S 0.01167 0.00739 -0.00604 0.00476 -0.00160 77 2S 0.01681 -0.03363 0.00949 0.00613 0.00278 78 2PX 0.04583 0.07526 0.09236 0.09987 -0.00836 79 2PY -0.10482 0.06145 0.00968 -0.00562 -0.00424 80 2PZ -0.05017 0.08998 -0.03205 0.03875 -0.00521 81 3S -0.02632 -0.02878 0.00107 0.00197 0.00396 82 3PX -0.00784 0.06572 0.05178 0.06093 -0.00568 83 3PY -0.01880 0.01760 0.00218 0.00261 -0.00159 84 3PZ -0.00661 0.05086 0.00022 0.03335 -0.00483 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 0.00010 90 4YZ 0.00437 -0.00323 0.00034 -0.00096 -0.00001 91 7 H 1S -0.00649 0.02164 0.00339 0.01690 -0.00102 92 2S -0.00200 0.01156 0.00512 0.00921 -0.00140 93 8 H 1S -0.06038 0.00249 0.01989 -0.00279 0.00081 94 2S -0.06760 0.00572 0.03824 0.00226 0.00160 95 9 H 1S 0.11509 0.03241 0.03912 -0.05972 -0.00192 96 2S 0.05423 0.01788 0.02558 -0.05145 0.00069 97 10 H 1S -0.06201 0.01713 -0.00229 -0.00667 -0.00145 98 2S -0.05922 0.02896 -0.00593 -0.00120 -0.00308 99 11 H 1S 0.05609 -0.00088 -0.03258 -0.00069 -0.00029 100 2S 0.06423 -0.00665 -0.04800 -0.00210 -0.00007 101 12 H 1S 0.00813 -0.00940 -0.00345 -0.00179 0.00094 102 2S 0.00618 -0.02184 -0.00528 -0.01228 0.00117 103 13 C 1S 0.00523 -0.00086 0.00403 0.00806 -0.00046 104 2S -0.00899 -0.00033 -0.00849 -0.01522 0.00036 105 2PX -0.02770 -0.00835 -0.02935 -0.02850 0.00027 106 2PY 0.00917 -0.00778 0.00647 -0.00236 0.00009 107 2PZ 0.00220 -0.01027 0.03196 -0.00729 -0.00133 108 3S 0.01673 -0.02532 -0.02144 -0.03851 0.00276 109 3PX -0.00631 -0.00640 -0.01540 -0.01190 0.00006 110 3PY -0.01092 -0.00283 0.00708 -0.00932 -0.00007 111 3PZ -0.00610 -0.00785 0.01123 -0.00484 -0.00042 112 4XX 0.00156 0.00185 0.00296 0.00260 -0.00019 113 4YY -0.00276 0.00146 0.00003 -0.00033 -0.00015 114 4ZZ 0.00089 -0.00367 -0.00188 -0.00192 0.00036 115 4XY -0.00124 0.00085 -0.00104 -0.00037 -0.00004 116 4XZ -0.00203 -0.00284 -0.00236 -0.00494 0.00027 117 4YZ -0.00073 -0.00128 0.00183 -0.00127 0.00005 118 14 H 1S -0.01230 -0.01935 -0.00436 -0.03019 0.00081 119 2S -0.01121 -0.01788 -0.00456 -0.02563 0.00164 120 15 H 1S 0.01770 0.00667 0.02873 0.01867 -0.00089 121 2S 0.02303 0.01667 0.03781 0.03879 -0.00252 122 16 C 1S 0.01091 -0.00010 -0.00349 0.00343 0.00000 123 2S -0.02105 -0.00217 0.00597 -0.00990 0.00002 124 2PX -0.01309 -0.00581 0.01726 -0.00097 -0.00032 125 2PY -0.01906 0.01994 -0.00708 0.00331 -0.00082 126 2PZ 0.07871 -0.00220 -0.02449 0.03398 -0.00066 127 3S -0.06110 0.01893 0.02945 -0.00436 -0.00151 128 3PX -0.00819 -0.00076 0.00912 0.00003 -0.00052 129 3PY -0.01690 0.01748 -0.00055 0.00540 -0.00108 130 3PZ 0.04098 -0.00210 -0.01698 0.01557 -0.00033 131 4XX 0.00343 -0.00067 -0.00109 0.00115 0.00006 132 4YY 0.00111 -0.00062 -0.00183 -0.00139 0.00004 133 4ZZ -0.00283 0.00075 0.00254 0.00033 -0.00006 134 4XY -0.00078 0.00013 -0.00123 -0.00081 -0.00002 135 4XZ 0.00000 0.00164 0.00060 0.00082 -0.00009 136 4YZ -0.00127 0.00001 0.00086 -0.00131 -0.00003 137 17 H 1S 0.01949 -0.00704 -0.01408 0.00038 0.00055 138 2S 0.02802 -0.01616 -0.02154 -0.00397 0.00080 139 18 H 1S 0.02055 -0.00050 0.00488 0.01533 -0.00054 140 2S 0.01847 0.01192 0.00768 0.02316 -0.00055 141 19 O 1S 0.00079 0.00142 -0.00426 0.00192 0.00007 142 2S -0.00745 0.00210 0.00989 -0.00330 -0.00017 143 2PX 0.01266 -0.00817 0.01628 0.00864 -0.00236 144 2PY 0.03844 -0.01578 0.00469 0.01122 -0.00047 145 2PZ 0.04572 -0.02054 0.00926 0.01854 -0.00184 146 3S 0.00170 -0.02452 0.01278 -0.01832 -0.00011 147 3PX 0.01067 -0.01123 0.01247 0.00387 -0.00200 148 3PY 0.02536 -0.00767 0.00281 0.00920 -0.00036 149 3PZ 0.03138 -0.01284 0.00865 0.01390 -0.00202 150 4XX 0.00069 0.00147 -0.00013 0.00155 0.00013 151 4YY -0.00216 0.00173 -0.00044 0.00007 0.00000 152 4ZZ -0.00044 0.00103 0.00032 0.00067 -0.00012 153 4XY 0.00004 0.00020 -0.00066 -0.00002 0.00009 154 4XZ 0.00101 -0.00032 -0.00012 0.00034 0.00002 155 4YZ -0.00164 -0.00030 -0.00037 -0.00151 0.00002 156 20 O 1S -0.00543 0.00315 0.00232 0.00044 0.00000 157 2S 0.01365 -0.00674 -0.00621 0.00084 0.00009 158 2PX 0.02272 -0.04386 -0.01549 -0.02318 -0.00031 159 2PY 0.01674 -0.00767 -0.00398 0.01234 -0.00001 160 2PZ 0.01045 -0.03159 -0.00333 -0.02613 -0.00068 161 3S 0.01897 -0.01955 -0.00642 -0.00832 -0.00044 162 3PX 0.01853 -0.03921 -0.01308 -0.02231 -0.00021 163 3PY 0.01304 -0.00583 -0.00227 0.00876 -0.00012 164 3PZ 0.01212 -0.02959 -0.00471 -0.02175 -0.00053 165 4XX -0.00048 0.00241 0.00063 0.00160 0.00002 166 4YY 0.00033 0.00017 -0.00018 0.00088 0.00002 167 4ZZ -0.00012 -0.00105 -0.00029 -0.00081 0.00007 168 4XY 0.00099 -0.00170 -0.00061 -0.00083 -0.00003 169 4XZ -0.00059 0.00058 0.00016 0.00001 -0.00001 170 4YZ -0.00005 -0.00005 -0.00005 -0.00032 0.00003 171 21 C 1S 0.00279 -0.00243 0.00033 -0.00011 -0.00014 172 2S -0.00557 0.00496 -0.00172 0.00179 0.00027 173 2PX -0.01185 0.00676 -0.00378 0.00029 0.00038 174 2PY -0.00972 0.00403 -0.00216 -0.00347 0.00025 175 2PZ -0.00517 -0.00459 -0.00088 -0.00842 -0.00017 176 3S -0.00761 0.00955 -0.00351 0.00353 0.00052 177 3PX -0.00088 0.00233 -0.00134 0.00239 0.00000 178 3PY 0.00171 0.00067 -0.00043 0.00242 -0.00004 179 3PZ 0.00308 -0.01174 -0.00035 -0.00790 -0.00057 180 4XX 0.00206 -0.00194 0.00033 -0.00015 -0.00011 181 4YY 0.00078 -0.00019 0.00022 0.00015 0.00000 182 4ZZ -0.00281 0.00202 -0.00041 -0.00013 0.00010 183 4XY -0.00118 0.00160 0.00109 0.00084 -0.00006 184 4XZ 0.00047 0.00030 0.00028 0.00039 0.00001 185 4YZ 0.00189 0.00040 0.00074 0.00206 -0.00009 186 22 H 1S -0.01206 0.00794 -0.00186 -0.00143 0.00039 187 2S -0.01736 0.01860 -0.00056 0.00368 0.00096 188 23 H 1S 0.01090 -0.00930 0.00200 -0.00085 -0.00050 189 2S 0.01797 -0.01862 0.00257 -0.00355 -0.00101 71 72 73 74 75 71 4YY 0.00114 72 4ZZ -0.00019 0.00089 73 4XY 0.00000 0.00032 0.00095 74 4XZ 0.00048 -0.00026 -0.00017 0.00067 75 4YZ 0.00014 -0.00011 -0.00042 0.00028 0.00117 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 -0.00219 0.00219 -0.00235 -0.00296 0.00857 79 2PY 0.01331 -0.00190 -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 -0.00054 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 0.00002 0.00110 0.00076 0.00068 0.00057 92 2S 0.00026 0.00140 0.00166 0.00025 0.00089 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 -0.00407 0.00550 0.00785 -0.00827 -0.01087 96 2S -0.00362 0.00647 0.00774 -0.00608 -0.01062 97 10 H 1S 0.00806 -0.00273 -0.00411 0.00313 0.00349 98 2S 0.00889 -0.00329 -0.00215 0.00474 0.00262 99 11 H 1S -0.00127 -0.00082 -0.00167 0.00027 0.00090 100 2S -0.00118 -0.00192 -0.00249 0.00048 0.00055 101 12 H 1S -0.00043 -0.00017 -0.00129 -0.00016 -0.00121 102 2S -0.00052 -0.00024 -0.00125 -0.00024 -0.00070 103 13 C 1S 0.00081 -0.00156 -0.00079 0.00073 0.00027 104 2S -0.00158 0.00302 0.00173 -0.00157 -0.00069 105 2PX -0.00138 0.00377 0.00102 -0.00129 -0.00015 106 2PY -0.00124 0.00210 0.00250 -0.00116 0.00024 107 2PZ 0.00397 -0.00733 -0.00402 0.00608 0.00074 108 3S -0.00435 0.00350 0.00172 -0.00278 -0.00357 109 3PX -0.00070 0.00170 0.00039 -0.00059 -0.00017 110 3PY 0.00008 0.00119 0.00209 -0.00026 -0.00024 111 3PZ 0.00203 -0.00435 -0.00270 0.00305 0.00127 112 4XX 0.00007 -0.00013 -0.00006 0.00013 0.00012 113 4YY 0.00035 -0.00004 0.00000 0.00017 0.00008 114 4ZZ -0.00033 0.00002 -0.00010 -0.00024 -0.00004 115 4XY 0.00002 0.00015 0.00001 -0.00004 0.00002 116 4XZ 0.00010 -0.00019 -0.00001 0.00024 -0.00032 117 4YZ -0.00011 -0.00019 -0.00008 0.00013 -0.00005 118 14 H 1S -0.00014 -0.00072 -0.00062 0.00133 -0.00077 119 2S -0.00013 -0.00169 -0.00141 0.00151 -0.00146 120 15 H 1S 0.00033 -0.00156 -0.00015 0.00073 0.00083 121 2S 0.00077 -0.00124 -0.00046 0.00081 0.00265 122 16 C 1S -0.00020 -0.00037 0.00004 -0.00009 -0.00021 123 2S 0.00036 0.00057 -0.00040 0.00017 0.00066 124 2PX -0.00065 0.00085 0.00037 -0.00006 0.00122 125 2PY 0.00190 -0.00047 -0.00034 0.00073 -0.00083 126 2PZ 0.00059 -0.00074 0.00159 0.00000 -0.00020 127 3S 0.00205 0.00193 0.00050 0.00079 0.00335 128 3PX 0.00004 0.00043 0.00021 0.00014 0.00073 129 3PY 0.00223 -0.00055 -0.00015 0.00102 -0.00066 130 3PZ 0.00057 -0.00069 0.00145 0.00003 -0.00060 131 4XX 0.00000 -0.00005 -0.00006 -0.00003 -0.00020 132 4YY -0.00008 0.00000 -0.00012 -0.00001 0.00000 133 4ZZ 0.00004 0.00005 0.00026 0.00002 0.00013 134 4XY 0.00002 0.00008 0.00008 -0.00002 0.00000 135 4XZ -0.00005 0.00005 0.00014 0.00004 0.00038 136 4YZ 0.00008 -0.00019 -0.00027 0.00018 0.00006 137 17 H 1S 0.00013 -0.00008 0.00000 -0.00035 -0.00131 138 2S 0.00006 -0.00013 -0.00028 -0.00060 -0.00304 139 18 H 1S -0.00031 0.00069 0.00159 -0.00023 0.00150 140 2S -0.00064 0.00071 0.00181 -0.00036 0.00143 141 19 O 1S -0.00006 -0.00013 0.00001 0.00007 -0.00018 142 2S 0.00022 0.00056 0.00003 -0.00008 0.00030 143 2PX 0.00167 0.00254 0.00170 -0.00035 0.00253 144 2PY -0.00014 -0.00020 0.00006 -0.00047 0.00051 145 2PZ 0.00100 0.00209 0.00139 -0.00009 0.00235 146 3S 0.00019 0.00009 -0.00011 -0.00016 0.00123 147 3PX 0.00128 0.00180 0.00141 -0.00017 0.00239 148 3PY -0.00012 -0.00005 0.00014 -0.00034 0.00031 149 3PZ 0.00108 0.00199 0.00138 -0.00012 0.00209 150 4XX -0.00005 -0.00002 -0.00009 0.00000 -0.00014 151 4YY 0.00002 0.00003 0.00000 0.00002 -0.00005 152 4ZZ 0.00001 0.00007 0.00009 -0.00001 0.00008 153 4XY -0.00007 -0.00009 -0.00006 0.00000 -0.00010 154 4XZ -0.00001 -0.00003 -0.00001 -0.00002 -0.00002 155 4YZ 0.00000 -0.00006 -0.00002 0.00001 -0.00002 156 20 O 1S -0.00004 0.00000 -0.00015 0.00004 -0.00002 157 2S 0.00004 -0.00011 0.00016 -0.00009 -0.00007 158 2PX 0.00041 0.00058 -0.00003 -0.00051 -0.00033 159 2PY -0.00024 -0.00028 -0.00001 -0.00026 -0.00006 160 2PZ 0.00034 0.00066 -0.00025 -0.00007 0.00020 161 3S 0.00028 0.00054 0.00178 -0.00022 0.00067 162 3PX 0.00031 0.00046 0.00025 -0.00043 -0.00025 163 3PY -0.00018 -0.00004 0.00020 -0.00024 0.00007 164 3PZ 0.00030 0.00051 -0.00043 -0.00015 0.00008 165 4XX -0.00002 -0.00001 -0.00007 0.00002 -0.00004 166 4YY -0.00002 -0.00004 -0.00007 0.00000 -0.00003 167 4ZZ -0.00002 -0.00003 -0.00009 -0.00001 -0.00008 168 4XY 0.00003 0.00003 0.00002 -0.00002 -0.00001 169 4XZ 0.00000 0.00000 -0.00001 0.00001 0.00001 170 4YZ -0.00002 0.00000 -0.00006 0.00000 -0.00005 171 21 C 1S -0.00001 -0.00005 0.00008 -0.00009 0.00010 172 2S -0.00017 0.00000 -0.00016 0.00011 -0.00026 173 2PX -0.00030 -0.00020 -0.00014 0.00023 -0.00037 174 2PY 0.00004 0.00020 0.00006 0.00024 -0.00019 175 2PZ 0.00010 0.00011 0.00029 -0.00014 0.00024 176 3S -0.00031 -0.00026 -0.00027 0.00021 -0.00048 177 3PX 0.00001 -0.00012 -0.00013 0.00011 -0.00014 178 3PY -0.00003 0.00003 0.00009 0.00008 0.00011 179 3PZ 0.00029 0.00067 0.00046 -0.00021 0.00057 180 4XX 0.00009 0.00013 0.00005 -0.00004 0.00009 181 4YY -0.00002 0.00000 -0.00001 0.00002 0.00002 182 4ZZ -0.00006 -0.00011 -0.00004 0.00001 -0.00009 183 4XY 0.00004 0.00008 0.00006 0.00002 0.00010 184 4XZ -0.00002 -0.00001 -0.00002 0.00000 -0.00001 185 4YZ 0.00003 0.00004 0.00007 -0.00001 0.00012 186 22 H 1S -0.00023 -0.00041 -0.00014 0.00006 -0.00038 187 2S -0.00051 -0.00114 -0.00053 0.00017 -0.00089 188 23 H 1S 0.00037 0.00047 0.00021 -0.00017 0.00044 189 2S 0.00070 0.00082 0.00047 -0.00027 0.00086 76 77 78 79 80 76 6 C 1S 2.05499 77 2S -0.06133 0.32633 78 2PX -0.00315 0.00484 0.35438 79 2PY -0.00192 -0.00375 -0.02302 0.41151 80 2PZ 0.00214 0.00093 -0.04000 -0.00391 0.38400 81 3S -0.19781 0.29070 -0.01226 0.00351 -0.02808 82 3PX 0.00758 -0.01604 0.19638 0.01983 0.03216 83 3PY 0.00758 0.00820 -0.00466 0.13002 0.01758 84 3PZ 0.00298 -0.00462 0.04853 0.01429 0.17019 85 4XX -0.01132 -0.01296 0.00888 -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 0.00162 -0.00345 -0.00762 -0.00005 0.00415 89 4XZ 0.00249 -0.00560 -0.00453 0.00527 0.00116 90 4YZ 0.00081 -0.00153 0.00335 -0.00229 -0.01081 91 7 H 1S 0.00600 -0.01492 0.02505 0.00207 0.02148 92 2S 0.00674 -0.01324 0.02738 0.00707 0.02822 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 0.01338 -0.02791 -0.03270 0.00421 0.03215 96 2S 0.01887 -0.03229 -0.07740 -0.00142 0.06794 97 10 H 1S -0.05969 0.11295 -0.02941 0.26415 -0.02264 98 2S -0.01311 0.02597 -0.00927 0.24493 -0.02198 99 11 H 1S -0.00252 0.00795 -0.01088 -0.00924 -0.00291 100 2S -0.00361 0.01394 -0.03433 -0.02542 -0.00578 101 12 H 1S -0.00218 0.00570 -0.01887 -0.00820 -0.01269 102 2S -0.00428 0.00822 -0.02245 -0.01241 -0.02171 103 13 C 1S 0.01252 -0.02297 0.02143 0.02956 -0.05185 104 2S -0.02336 0.03914 -0.04298 -0.05547 0.10798 105 2PX -0.01707 0.03370 0.00054 -0.02746 0.08295 106 2PY -0.02349 0.04867 -0.02055 -0.03155 0.11040 107 2PZ 0.06432 -0.13741 0.10104 0.12206 -0.23457 108 3S 0.00258 0.02396 -0.09359 -0.11181 0.08685 109 3PX -0.00270 0.01327 -0.00001 -0.01602 0.03732 110 3PY -0.00571 0.01147 -0.01357 0.00261 0.05338 111 3PZ 0.01309 -0.04402 0.04348 0.05774 -0.11717 112 4XX 0.00197 -0.00450 0.00735 0.00167 -0.00376 113 4YY 0.00081 -0.00222 0.00072 0.00983 -0.00224 114 4ZZ -0.00457 0.00848 -0.00573 -0.00739 0.00104 115 4XY -0.00115 0.00204 0.00143 0.00103 0.00361 116 4XZ 0.00264 -0.00524 -0.00785 0.00343 -0.00571 117 4YZ 0.00410 -0.00767 0.00392 -0.00341 -0.00869 118 14 H 1S 0.00810 -0.02346 0.00301 0.00514 -0.02613 119 2S 0.01255 -0.02989 -0.00776 0.01032 -0.05902 120 15 H 1S 0.00809 -0.01963 0.02500 0.00184 -0.02345 121 2S 0.01421 -0.02688 0.08199 0.01218 -0.02899 122 16 C 1S -0.00202 0.00420 -0.00310 -0.00914 0.00490 123 2S 0.00459 -0.00918 0.00431 0.01813 -0.01663 124 2PX 0.00180 -0.00336 0.00565 0.00361 -0.00159 125 2PY 0.01024 -0.02612 0.00235 0.03528 -0.03068 126 2PZ -0.00336 0.01374 -0.00368 -0.00755 0.02388 127 3S -0.00082 -0.01381 0.04767 0.07650 0.00218 128 3PX -0.00043 -0.00408 0.00897 0.00860 0.00186 129 3PY 0.00685 -0.01928 0.00922 0.05188 -0.01857 130 3PZ 0.00016 0.00716 -0.01326 -0.00333 0.01589 131 4XX -0.00043 0.00105 -0.00160 -0.00085 -0.00003 132 4YY -0.00057 0.00088 -0.00257 -0.00192 0.00053 133 4ZZ 0.00018 -0.00091 0.00295 0.00150 0.00092 134 4XY -0.00034 0.00060 0.00054 -0.00070 0.00295 135 4XZ 0.00007 -0.00013 0.00227 0.00068 0.00232 136 4YZ 0.00151 -0.00341 0.00257 0.00453 -0.00723 137 17 H 1S -0.00421 0.01109 -0.01222 -0.01109 0.01092 138 2S -0.00628 0.01442 -0.02774 -0.02015 0.01335 139 18 H 1S -0.00194 0.00810 0.00893 -0.00399 0.02444 140 2S -0.00257 0.00829 0.01197 -0.01246 0.03387 141 19 O 1S -0.00006 0.00124 -0.00404 -0.00016 0.00063 142 2S 0.00144 -0.00357 0.00923 0.00011 0.00160 143 2PX 0.00871 -0.01382 0.06019 0.01145 0.01992 144 2PY 0.00185 -0.00158 0.00859 -0.00101 0.00434 145 2PZ 0.00816 -0.00917 0.05234 0.01313 0.02773 146 3S -0.00560 -0.00093 0.01763 0.00058 -0.01791 147 3PX 0.00393 -0.01001 0.05169 0.01067 0.01445 148 3PY 0.00167 -0.00082 0.00513 -0.00137 0.00722 149 3PZ 0.00725 -0.00761 0.04914 0.01410 0.03125 150 4XX 0.00024 -0.00022 -0.00249 -0.00102 -0.00083 151 4YY 0.00041 0.00028 -0.00014 0.00053 0.00077 152 4ZZ 0.00077 -0.00013 0.00221 0.00025 0.00242 153 4XY -0.00030 0.00069 -0.00263 -0.00048 -0.00036 154 4XZ -0.00009 0.00043 -0.00078 -0.00004 -0.00006 155 4YZ -0.00035 0.00059 -0.00104 0.00015 -0.00079 156 20 O 1S -0.00022 -0.00083 0.00029 0.00057 -0.00037 157 2S -0.00033 0.00189 -0.00261 -0.00159 -0.00241 158 2PX -0.00196 0.01053 -0.00511 -0.00636 -0.00385 159 2PY -0.00012 0.00069 -0.00506 -0.00592 -0.00207 160 2PZ -0.00038 0.00618 0.01085 0.00505 0.00367 161 3S 0.00417 0.00260 0.00465 -0.00354 0.01628 162 3PX -0.00087 0.00950 -0.00799 -0.00668 -0.00036 163 3PY 0.00084 0.00063 -0.00069 -0.00534 0.00211 164 3PZ -0.00100 0.00695 0.00652 0.00313 0.00013 165 4XX 0.00013 -0.00070 0.00054 0.00032 -0.00035 166 4YY -0.00035 0.00001 -0.00039 -0.00001 -0.00100 167 4ZZ -0.00059 0.00049 -0.00161 -0.00047 -0.00143 168 4XY 0.00006 0.00032 0.00006 0.00005 0.00023 169 4XZ 0.00001 -0.00012 0.00024 0.00009 0.00015 170 4YZ 0.00000 0.00005 -0.00046 -0.00022 -0.00048 171 21 C 1S 0.00031 0.00016 0.00231 0.00028 0.00028 172 2S -0.00014 0.00012 -0.00529 -0.00125 -0.00036 173 2PX -0.00106 0.00104 -0.00790 -0.00130 -0.00107 174 2PY -0.00029 0.00035 -0.00363 0.00068 0.00186 175 2PZ -0.00089 0.00172 0.00117 0.00103 0.00273 176 3S -0.00166 -0.00067 -0.01412 -0.00313 -0.00051 177 3PX -0.00070 -0.00066 -0.00054 0.00011 -0.00161 178 3PY 0.00010 -0.00080 0.00118 -0.00034 0.00115 179 3PZ -0.00012 0.00144 0.01063 0.00170 0.00865 180 4XX 0.00047 -0.00028 0.00261 0.00032 0.00062 181 4YY 0.00012 -0.00014 0.00035 0.00024 0.00036 182 4ZZ -0.00034 0.00032 -0.00260 -0.00051 -0.00089 183 4XY 0.00036 -0.00075 0.00234 0.00068 0.00100 184 4XZ 0.00011 -0.00015 0.00004 -0.00016 0.00005 185 4YZ 0.00050 -0.00078 0.00242 0.00047 0.00097 186 22 H 1S -0.00145 0.00102 -0.00985 -0.00186 -0.00338 187 2S -0.00192 0.00051 -0.01929 -0.00327 -0.01359 188 23 H 1S 0.00142 -0.00087 0.01077 0.00153 0.00282 189 2S 0.00191 -0.00083 0.02157 0.00370 0.00567 81 82 83 84 85 81 3S 0.30063 82 3PX -0.02130 0.12488 83 3PY -0.00564 0.00625 0.05321 84 3PZ -0.02582 0.05271 0.01514 0.09657 85 4XX -0.01129 0.00518 -0.00167 0.00075 0.00149 86 4YY 0.00386 -0.00113 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 -0.01941 0.02450 0.00644 0.01187 0.00237 92 2S -0.02513 0.02494 0.01127 0.01828 0.00128 93 8 H 1S 0.04153 0.02563 -0.00659 -0.01358 0.00034 94 2S 0.04888 0.04372 -0.01573 -0.01524 0.00109 95 9 H 1S -0.05771 -0.01770 0.01040 0.00730 0.00307 96 2S -0.05898 -0.03769 0.01145 0.01284 0.00157 97 10 H 1S 0.11235 -0.00497 0.08410 -0.00406 -0.00852 98 2S 0.03320 0.01111 0.07232 0.00216 -0.00501 99 11 H 1S 0.00542 -0.01175 0.00990 -0.00326 -0.00021 100 2S 0.01443 -0.02816 0.00401 -0.00905 -0.00090 101 12 H 1S 0.00326 -0.01991 0.00386 -0.01165 -0.00039 102 2S 0.00517 -0.02252 0.00369 -0.01651 -0.00120 103 13 C 1S -0.00158 0.00447 0.00708 -0.00575 0.00165 104 2S 0.01521 -0.01064 -0.01664 0.02431 -0.00384 105 2PX 0.03853 0.00012 -0.00296 0.01547 -0.00730 106 2PY 0.03620 -0.00742 -0.01298 0.05084 -0.00065 107 2PZ -0.11065 0.03883 0.01883 -0.09079 0.00545 108 3S 0.00026 -0.04852 -0.02854 -0.00063 -0.00365 109 3PX 0.01152 -0.00164 0.00036 0.00753 -0.00317 110 3PY 0.00988 -0.00132 -0.00475 0.02377 -0.00081 111 3PZ -0.02319 0.01621 0.00275 -0.04788 0.00129 112 4XX -0.00464 0.00411 -0.00008 0.00009 0.00055 113 4YY -0.00177 0.00125 0.00342 -0.00014 -0.00011 114 4ZZ 0.00861 -0.00455 -0.00229 -0.00148 -0.00043 115 4XY 0.00248 0.00119 0.00060 0.00104 -0.00026 116 4XZ -0.00330 -0.00506 0.00034 -0.00512 -0.00024 117 4YZ -0.00612 0.00155 -0.00276 -0.00415 0.00030 118 14 H 1S -0.01620 -0.00408 -0.00731 -0.02954 -0.00244 119 2S -0.01438 -0.01446 -0.00677 -0.04306 -0.00103 120 15 H 1S -0.03205 0.01668 -0.00582 0.00220 0.00458 121 2S -0.04475 0.04620 0.00375 0.01692 0.00610 122 16 C 1S 0.00385 -0.00368 -0.00396 0.00182 0.00030 123 2S -0.00944 0.00480 0.00899 -0.00699 -0.00104 124 2PX -0.01294 -0.00201 0.00016 0.00416 -0.00016 125 2PY -0.02808 0.00941 0.01240 -0.02231 -0.00101 126 2PZ -0.00622 -0.01452 0.02514 0.02494 0.00235 127 3S -0.01019 0.04237 0.02365 0.01383 -0.00084 128 3PX -0.00772 0.00407 0.00202 0.00495 -0.00010 129 3PY -0.01838 0.01155 0.01565 -0.00894 -0.00038 130 3PZ -0.00339 -0.01370 0.01143 0.01345 0.00079 131 4XX 0.00059 -0.00184 0.00079 -0.00002 0.00012 132 4YY 0.00051 -0.00138 -0.00036 -0.00117 -0.00021 133 4ZZ -0.00049 0.00226 -0.00067 0.00161 0.00010 134 4XY 0.00113 0.00075 -0.00018 0.00084 -0.00020 135 4XZ 0.00027 0.00192 0.00021 0.00237 0.00014 136 4YZ -0.00211 0.00124 0.00039 -0.00342 0.00004 137 17 H 1S 0.01103 -0.00908 0.00455 0.00279 -0.00024 138 2S 0.01061 -0.02204 0.00342 -0.00197 -0.00114 139 18 H 1S -0.00360 0.00076 0.00943 0.02497 0.00137 140 2S 0.00098 0.00617 0.00178 0.02866 0.00250 141 19 O 1S -0.00071 0.00229 0.00275 -0.00410 0.00035 142 2S 0.00712 -0.00370 -0.00818 0.00912 -0.00046 143 2PX -0.06014 0.03305 0.03526 0.03603 0.00293 144 2PY -0.03805 -0.01207 0.00553 0.01762 0.00031 145 2PZ -0.09380 0.02385 0.05513 0.04421 0.00201 146 3S 0.00110 -0.00862 -0.00729 0.00834 -0.00246 147 3PX -0.04692 0.02864 0.02790 0.02875 0.00148 148 3PY -0.02464 -0.00709 0.00345 0.01326 0.00033 149 3PZ -0.06966 0.02556 0.04140 0.04032 0.00128 150 4XX -0.00102 -0.00166 0.00027 -0.00089 0.00033 151 4YY 0.00234 0.00115 -0.00011 -0.00071 -0.00001 152 4ZZ 0.00016 0.00189 -0.00023 0.00145 -0.00001 153 4XY 0.00189 -0.00172 -0.00110 -0.00119 -0.00010 154 4XZ -0.00061 -0.00060 0.00050 -0.00008 0.00002 155 4YZ 0.00343 -0.00027 -0.00176 -0.00116 -0.00021 156 20 O 1S 0.00478 -0.00034 -0.00292 -0.00037 0.00005 157 2S -0.01174 -0.00062 0.00710 -0.00261 0.00009 158 2PX -0.01339 -0.00598 0.01719 -0.00465 -0.00284 159 2PY -0.01503 -0.01029 0.00351 -0.00628 0.00057 160 2PZ -0.00939 0.00676 0.01292 0.01134 -0.00300 161 3S -0.02205 0.00576 0.01075 0.01416 -0.00127 162 3PX -0.00989 -0.00764 0.01269 -0.00164 -0.00285 163 3PY -0.01203 -0.00556 0.00296 -0.00119 0.00037 164 3PZ -0.00808 0.00205 0.01200 0.00636 -0.00271 165 4XX -0.00027 0.00061 -0.00014 -0.00022 0.00027 166 4YY -0.00009 -0.00059 0.00005 -0.00109 0.00006 167 4ZZ 0.00112 -0.00155 -0.00034 -0.00116 -0.00011 168 4XY -0.00078 0.00003 0.00066 0.00012 -0.00012 169 4XZ 0.00042 0.00039 -0.00024 0.00009 0.00002 170 4YZ 0.00012 -0.00021 0.00012 -0.00030 0.00002 171 21 C 1S -0.00427 0.00078 0.00191 0.00078 0.00004 172 2S 0.00569 -0.00092 -0.00097 -0.00391 0.00020 173 2PX 0.01577 -0.00104 -0.00453 -0.00865 -0.00021 174 2PY 0.00790 0.00266 0.00141 -0.00228 -0.00035 175 2PZ 0.01037 0.00060 -0.00641 0.00420 -0.00101 176 3S 0.00771 -0.00509 -0.00322 -0.00672 0.00069 177 3PX 0.00049 0.00104 0.00155 -0.00251 0.00030 178 3PY -0.00406 0.00168 0.00206 0.00054 0.00023 179 3PZ -0.00686 0.00525 0.00533 0.00992 -0.00113 180 4XX -0.00398 0.00129 0.00246 0.00156 0.00006 181 4YY -0.00117 -0.00005 0.00051 0.00071 -0.00003 182 4ZZ 0.00503 -0.00109 -0.00301 -0.00210 -0.00004 183 4XY -0.00072 0.00172 0.00061 0.00133 0.00015 184 4XZ -0.00051 -0.00013 -0.00009 0.00040 0.00006 185 4YZ -0.00382 0.00104 0.00135 0.00158 0.00024 186 22 H 1S 0.02157 -0.00373 -0.01273 -0.00671 -0.00017 187 2S 0.03435 -0.00893 -0.02261 -0.01662 0.00052 188 23 H 1S -0.01834 0.00437 0.01007 0.00827 0.00012 189 2S -0.02970 0.00959 0.01786 0.01474 -0.00027 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 -0.00130 0.00016 -0.00041 0.00177 -0.00041 92 2S -0.00061 0.00053 -0.00025 0.00071 -0.00067 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 -0.00535 0.00632 0.00350 -0.00387 -0.00211 96 2S -0.00515 0.00695 0.00520 -0.00176 -0.00393 97 10 H 1S 0.01671 -0.00993 -0.00155 0.00194 -0.00169 98 2S 0.01588 -0.00874 -0.00135 0.00309 -0.00104 99 11 H 1S 0.00086 -0.00008 -0.00059 0.00022 -0.00041 100 2S 0.00150 -0.00030 -0.00078 0.00062 -0.00057 101 12 H 1S -0.00023 0.00048 -0.00024 -0.00001 -0.00028 102 2S -0.00023 0.00102 -0.00025 -0.00013 -0.00010 103 13 C 1S 0.00168 -0.00512 -0.00133 0.00200 0.00340 104 2S -0.00346 0.00885 0.00249 -0.00367 -0.00664 105 2PX -0.00095 0.00570 -0.00081 0.00911 -0.00319 106 2PY -0.00950 0.00773 -0.00065 -0.00272 0.00439 107 2PZ 0.00364 0.00068 -0.00406 0.00358 0.00854 108 3S -0.00684 0.01172 0.00382 -0.00372 -0.00655 109 3PX -0.00064 0.00266 -0.00044 0.00422 -0.00139 110 3PY -0.00362 0.00391 0.00012 -0.00107 0.00182 111 3PZ 0.00256 -0.00033 -0.00239 0.00117 0.00426 112 4XX -0.00029 0.00004 -0.00017 -0.00026 0.00039 113 4YY 0.00085 -0.00055 0.00004 0.00019 -0.00020 114 4ZZ -0.00039 0.00029 -0.00001 0.00011 0.00009 115 4XY 0.00005 0.00009 -0.00006 0.00038 -0.00013 116 4XZ 0.00016 0.00052 0.00012 0.00062 0.00011 117 4YZ -0.00031 0.00033 -0.00008 0.00002 0.00031 118 14 H 1S -0.00242 0.00811 -0.00106 0.00402 0.00144 119 2S -0.00166 0.00534 -0.00102 0.00503 0.00280 120 15 H 1S -0.00287 0.00116 -0.00002 -0.00707 0.00220 121 2S -0.00199 -0.00220 -0.00147 -0.00575 0.00328 122 16 C 1S -0.00148 0.00048 -0.00034 -0.00008 0.00110 123 2S 0.00319 -0.00116 0.00074 0.00025 -0.00199 124 2PX 0.00054 -0.00018 -0.00001 -0.00082 -0.00032 125 2PY 0.00818 -0.00392 0.00173 0.00099 -0.00724 126 2PZ -0.00101 0.00006 -0.00056 0.00056 0.00107 127 3S 0.00541 -0.00338 0.00077 0.00033 -0.00250 128 3PX 0.00059 -0.00022 -0.00018 -0.00058 -0.00018 129 3PY 0.00566 -0.00313 0.00045 0.00110 -0.00318 130 3PZ 0.00002 -0.00023 -0.00014 0.00060 0.00055 131 4XX -0.00023 0.00006 -0.00006 0.00005 0.00021 132 4YY 0.00009 0.00022 0.00008 -0.00008 -0.00034 133 4ZZ -0.00009 -0.00005 -0.00001 -0.00003 0.00021 134 4XY -0.00003 0.00016 -0.00002 0.00028 -0.00007 135 4XZ 0.00003 -0.00008 0.00002 0.00001 0.00004 136 4YZ 0.00020 -0.00002 -0.00012 0.00009 0.00018 137 17 H 1S -0.00155 0.00123 -0.00018 0.00082 0.00098 138 2S -0.00211 0.00239 -0.00041 0.00093 0.00075 139 18 H 1S -0.00100 -0.00013 -0.00010 -0.00069 0.00105 140 2S -0.00204 -0.00038 0.00006 -0.00099 0.00117 141 19 O 1S 0.00017 0.00016 0.00005 0.00011 0.00000 142 2S -0.00051 -0.00055 -0.00017 -0.00025 -0.00013 143 2PX -0.00016 -0.00088 -0.00094 0.00017 -0.00009 144 2PY 0.00000 0.00001 0.00031 0.00046 -0.00005 145 2PZ 0.00057 0.00045 0.00014 0.00175 -0.00007 146 3S 0.00010 0.00027 -0.00047 -0.00070 0.00071 147 3PX 0.00019 -0.00035 -0.00083 -0.00011 0.00009 148 3PY -0.00005 -0.00007 0.00030 0.00019 -0.00017 149 3PZ 0.00055 0.00015 -0.00014 0.00076 -0.00036 150 4XX -0.00011 -0.00007 0.00008 0.00020 -0.00001 151 4YY 0.00002 -0.00005 -0.00002 -0.00001 -0.00004 152 4ZZ -0.00003 -0.00002 -0.00004 -0.00007 -0.00006 153 4XY -0.00001 0.00005 0.00003 0.00002 -0.00002 154 4XZ 0.00003 0.00000 0.00003 -0.00005 0.00000 155 4YZ 0.00004 0.00000 -0.00003 -0.00017 0.00002 156 20 O 1S -0.00013 -0.00024 0.00001 0.00001 0.00001 157 2S 0.00025 0.00047 -0.00007 0.00013 0.00003 158 2PX 0.00074 0.00252 -0.00087 -0.00149 -0.00036 159 2PY -0.00051 0.00016 -0.00024 0.00050 0.00001 160 2PZ 0.00126 0.00186 -0.00054 -0.00179 -0.00037 161 3S 0.00029 0.00152 0.00019 -0.00050 -0.00001 162 3PX 0.00057 0.00228 -0.00059 -0.00134 -0.00031 163 3PY -0.00046 0.00020 -0.00018 0.00030 -0.00001 164 3PZ 0.00102 0.00155 -0.00056 -0.00155 -0.00033 165 4XX -0.00002 -0.00012 0.00002 0.00009 0.00000 166 4YY -0.00002 -0.00004 -0.00003 0.00004 0.00001 167 4ZZ -0.00001 0.00003 -0.00002 -0.00003 -0.00001 168 4XY 0.00005 0.00008 -0.00001 -0.00007 -0.00001 169 4XZ -0.00001 -0.00002 0.00000 0.00001 0.00000 170 4YZ 0.00000 0.00004 -0.00001 0.00002 -0.00002 171 21 C 1S 0.00013 0.00003 -0.00003 -0.00016 0.00007 172 2S -0.00018 0.00009 -0.00003 0.00059 -0.00011 173 2PX -0.00006 0.00010 -0.00012 0.00040 -0.00005 174 2PY 0.00002 0.00026 0.00017 0.00029 -0.00002 175 2PZ 0.00037 0.00014 -0.00013 -0.00018 -0.00016 176 3S -0.00020 -0.00002 0.00016 0.00113 -0.00013 177 3PX 0.00012 -0.00010 -0.00009 0.00002 -0.00009 178 3PY -0.00008 0.00009 0.00006 0.00014 0.00004 179 3PZ 0.00041 0.00050 -0.00026 -0.00024 -0.00028 180 4XX 0.00002 0.00004 -0.00004 -0.00007 -0.00002 181 4YY 0.00002 0.00002 0.00003 0.00003 0.00000 182 4ZZ -0.00004 -0.00008 0.00001 0.00000 0.00001 183 4XY -0.00002 -0.00010 0.00001 0.00004 0.00001 184 4XZ -0.00002 -0.00001 0.00002 0.00002 0.00000 185 4YZ -0.00002 -0.00009 0.00000 0.00009 0.00001 186 22 H 1S -0.00012 -0.00023 0.00000 0.00017 0.00002 187 2S -0.00042 -0.00083 0.00028 0.00005 0.00029 188 23 H 1S 0.00009 0.00020 -0.00012 -0.00031 -0.00004 189 2S 0.00042 0.00041 -0.00035 -0.00087 -0.00013 91 92 93 94 95 91 7 H 1S 0.21549 92 2S 0.15286 0.12398 93 8 H 1S 0.00096 -0.00010 0.21693 94 2S 0.00362 0.00234 0.17899 0.17163 95 9 H 1S -0.00193 0.00431 -0.02222 -0.02568 0.21693 96 2S -0.00036 0.00495 -0.02568 -0.03291 0.17899 97 10 H 1S -0.00805 -0.00435 -0.00941 -0.01833 -0.02289 98 2S -0.00416 -0.00116 -0.02008 -0.02682 -0.02757 99 11 H 1S -0.00202 -0.00285 -0.02289 -0.02724 -0.00941 100 2S -0.00894 -0.01063 -0.02757 -0.03410 -0.02008 101 12 H 1S -0.01120 -0.00665 -0.00193 -0.00036 0.00096 102 2S -0.00665 0.00087 0.00431 0.00495 -0.00010 103 13 C 1S 0.00045 0.00048 -0.00090 -0.00047 -0.00710 104 2S 0.00109 0.00573 0.00147 -0.00004 0.01561 105 2PX -0.00160 -0.00505 -0.00009 -0.00382 0.01136 106 2PY 0.00109 -0.00098 -0.00103 -0.00098 0.01106 107 2PZ -0.00103 -0.00802 -0.00298 0.00410 -0.03375 108 3S -0.00629 -0.00090 0.00354 -0.00168 0.04176 109 3PX 0.00654 0.00371 -0.00130 -0.00383 0.00461 110 3PY 0.00366 0.00288 0.00023 0.00067 0.01304 111 3PZ -0.00271 -0.00757 -0.00070 0.00421 -0.02990 112 4XX 0.00098 0.00068 0.00044 0.00114 -0.00119 113 4YY 0.00039 0.00064 -0.00008 -0.00033 0.00007 114 4ZZ -0.00090 -0.00135 0.00018 -0.00007 -0.00017 115 4XY 0.00011 -0.00020 -0.00020 -0.00068 0.00039 116 4XZ -0.00130 -0.00175 -0.00062 -0.00148 0.00149 117 4YZ -0.00010 -0.00041 0.00110 0.00253 -0.00084 118 14 H 1S -0.00511 -0.00978 -0.00063 -0.00022 -0.00034 119 2S -0.01065 -0.01718 -0.00021 -0.00044 -0.00120 120 15 H 1S 0.00507 0.00721 0.00342 0.01033 -0.00882 121 2S 0.01533 0.01713 0.00712 0.01814 -0.02136 122 16 C 1S -0.00132 -0.00232 -0.00710 -0.00909 -0.00090 123 2S 0.00099 0.00125 0.01561 0.02151 0.00147 124 2PX 0.00111 0.00626 0.01136 0.02680 -0.00009 125 2PY 0.00171 0.00757 -0.01106 -0.01592 0.00103 126 2PZ -0.00124 -0.00091 -0.03375 -0.06650 -0.00298 127 3S 0.01424 0.01825 0.04176 0.05147 0.00354 128 3PX -0.00070 0.00230 0.00461 0.01219 -0.00130 129 3PY 0.00473 0.00674 -0.01304 -0.01570 -0.00023 130 3PZ -0.00305 -0.00338 -0.02990 -0.04621 -0.00070 131 4XX -0.00050 -0.00091 -0.00119 -0.00276 0.00044 132 4YY -0.00037 -0.00020 0.00007 -0.00017 -0.00008 133 4ZZ 0.00053 0.00066 -0.00017 0.00099 0.00018 134 4XY 0.00014 -0.00005 -0.00039 -0.00092 0.00020 135 4XZ 0.00044 0.00083 0.00149 0.00196 -0.00062 136 4YZ -0.00009 -0.00029 0.00084 0.00199 -0.00110 137 17 H 1S -0.00257 -0.00698 -0.00882 -0.02288 0.00342 138 2S -0.00622 -0.01089 -0.02136 -0.03822 0.00712 139 18 H 1S 0.00248 0.00465 -0.00034 -0.00360 -0.00063 140 2S 0.00447 0.00591 -0.00120 -0.00328 -0.00021 141 19 O 1S 0.01458 0.01571 -0.00010 -0.00077 0.00019 142 2S -0.02981 -0.03187 0.00005 0.00190 0.00028 143 2PX -0.01400 -0.01595 0.00034 0.00462 -0.00315 144 2PY -0.01735 -0.02195 -0.00008 -0.00423 0.00017 145 2PZ 0.04334 0.07312 -0.00141 -0.00298 -0.00406 146 3S -0.07739 -0.06864 0.00235 0.00493 -0.00398 147 3PX -0.00236 0.00177 0.00114 0.00489 -0.00455 148 3PY -0.00922 -0.01053 -0.00027 -0.00317 0.00079 149 3PZ 0.03208 0.04921 -0.00126 -0.00197 -0.00269 150 4XX 0.00288 0.00109 -0.00010 -0.00028 0.00028 151 4YY 0.00091 0.00185 -0.00015 0.00000 0.00012 152 4ZZ 0.00570 0.00403 0.00007 0.00022 0.00003 153 4XY 0.00313 0.00327 -0.00012 -0.00030 0.00020 154 4XZ -0.00366 -0.00123 -0.00005 -0.00015 0.00012 155 4YZ -0.00319 -0.00428 -0.00001 -0.00001 -0.00002 156 20 O 1S -0.00352 -0.00324 0.00019 0.00148 -0.00010 157 2S 0.00990 0.00967 0.00028 -0.00270 0.00005 158 2PX 0.02877 0.05949 -0.00315 -0.00741 0.00034 159 2PY 0.01996 0.04326 -0.00017 -0.00120 0.00008 160 2PZ -0.00586 0.00658 -0.00406 -0.00151 -0.00141 161 3S 0.01898 0.01363 -0.00398 -0.00955 0.00235 162 3PX 0.02012 0.04089 -0.00455 -0.00836 0.00114 163 3PY 0.01569 0.03098 -0.00079 -0.00169 0.00027 164 3PZ -0.00330 0.00722 -0.00269 -0.00184 -0.00126 165 4XX -0.00004 0.00016 0.00028 0.00063 -0.00010 166 4YY 0.00060 0.00204 0.00012 0.00018 -0.00015 167 4ZZ -0.00074 -0.00140 0.00003 -0.00002 0.00007 168 4XY -0.00077 0.00066 -0.00020 -0.00051 0.00012 169 4XZ 0.00092 0.00084 0.00012 0.00021 -0.00005 170 4YZ 0.00109 0.00143 0.00002 0.00026 0.00001 171 21 C 1S -0.00735 -0.00777 0.00003 -0.00020 0.00003 172 2S 0.02026 0.02246 0.00031 0.00145 0.00031 173 2PX 0.01912 0.02698 0.00016 0.00178 0.00016 174 2PY 0.03006 0.03201 -0.00010 -0.00108 0.00010 175 2PZ -0.01935 -0.03245 0.00117 0.00026 0.00117 176 3S 0.02999 0.02716 0.00014 0.00175 0.00014 177 3PX 0.01340 0.01776 -0.00114 -0.00061 -0.00114 178 3PY 0.02407 0.02344 0.00068 0.00008 -0.00068 179 3PZ -0.00663 -0.00697 0.00049 0.00033 0.00049 180 4XX -0.00057 0.00091 -0.00009 -0.00015 -0.00009 181 4YY 0.00081 0.00129 -0.00008 -0.00005 -0.00008 182 4ZZ -0.00195 -0.00371 0.00028 0.00025 0.00028 183 4XY 0.00002 -0.00015 0.00019 0.00050 -0.00019 184 4XZ 0.00069 -0.00044 0.00003 0.00001 0.00003 185 4YZ 0.00063 0.00038 0.00017 0.00019 -0.00017 186 22 H 1S -0.00729 -0.01729 0.00108 0.00093 0.00108 187 2S -0.01840 -0.03271 0.00129 0.00051 0.00129 188 23 H 1S -0.00082 0.00158 -0.00069 -0.00122 -0.00069 189 2S -0.00206 0.00586 -0.00181 -0.00266 -0.00181 96 97 98 99 100 96 2S 0.17164 97 10 H 1S -0.02724 0.21714 98 2S -0.03410 0.17586 0.16496 99 11 H 1S -0.01833 0.00159 -0.00152 0.21714 100 2S -0.02682 -0.00152 -0.00431 0.17586 0.16496 101 12 H 1S 0.00362 -0.00202 -0.00894 -0.00805 -0.00416 102 2S 0.00234 -0.00285 -0.01063 -0.00435 -0.00116 103 13 C 1S -0.00909 0.01166 0.01409 -0.00717 -0.00907 104 2S 0.02151 -0.02374 -0.02635 0.01458 0.01876 105 2PX 0.02680 -0.00668 -0.01506 0.00151 0.00484 106 2PY 0.01592 -0.03133 -0.05916 -0.03618 -0.06045 107 2PZ -0.06650 0.03239 0.06668 -0.00434 -0.01994 108 3S 0.05147 -0.06426 -0.06879 0.04599 0.05206 109 3PX 0.01219 -0.00613 -0.00961 0.00396 0.00611 110 3PY 0.01570 -0.00753 -0.01769 -0.03698 -0.04915 111 3PZ -0.04621 0.02545 0.03802 -0.00019 -0.00658 112 4XX -0.00276 -0.00156 -0.00043 -0.00081 -0.00228 113 4YY -0.00017 0.00650 0.00718 -0.00011 0.00023 114 4ZZ 0.00099 -0.00183 -0.00457 -0.00001 0.00044 115 4XY 0.00092 0.00121 0.00058 0.00029 0.00036 116 4XZ 0.00196 0.00093 0.00158 0.00020 0.00044 117 4YZ -0.00199 -0.00478 -0.00206 -0.00198 -0.00306 118 14 H 1S -0.00360 -0.00897 -0.00497 -0.00529 -0.01306 119 2S -0.00328 -0.00567 -0.00227 -0.01224 -0.01808 120 15 H 1S -0.02288 -0.01340 -0.00728 -0.00724 -0.01829 121 2S -0.03822 -0.01059 -0.00004 -0.01154 -0.02512 122 16 C 1S -0.00047 -0.00717 -0.00907 0.01166 0.01409 123 2S -0.00005 0.01458 0.01876 -0.02374 -0.02635 124 2PX -0.00382 0.00151 0.00484 -0.00668 -0.01506 125 2PY 0.00098 0.03618 0.06045 0.03133 0.05916 126 2PZ 0.00410 -0.00434 -0.01994 0.03239 0.06668 127 3S -0.00168 0.04599 0.05206 -0.06426 -0.06879 128 3PX -0.00383 0.00396 0.00611 -0.00613 -0.00961 129 3PY -0.00067 0.03698 0.04915 0.00753 0.01769 130 3PZ 0.00421 -0.00019 -0.00658 0.02545 0.03802 131 4XX 0.00114 -0.00081 -0.00228 -0.00156 -0.00043 132 4YY -0.00033 -0.00011 0.00023 0.00650 0.00718 133 4ZZ -0.00007 -0.00001 0.00044 -0.00183 -0.00457 134 4XY 0.00068 -0.00029 -0.00036 -0.00121 -0.00058 135 4XZ -0.00148 0.00020 0.00044 0.00093 0.00158 136 4YZ -0.00253 0.00198 0.00306 0.00478 0.00206 137 17 H 1S 0.01033 -0.00724 -0.01829 -0.01340 -0.00728 138 2S 0.01814 -0.01154 -0.02512 -0.01059 -0.00004 139 18 H 1S -0.00022 -0.00529 -0.01306 -0.00897 -0.00497 140 2S -0.00044 -0.01224 -0.01808 -0.00567 -0.00227 141 19 O 1S 0.00148 0.00030 -0.00252 0.00027 0.00064 142 2S -0.00270 -0.00116 0.00539 -0.00065 -0.00182 143 2PX -0.00741 -0.00314 0.00053 0.00042 -0.00852 144 2PY 0.00120 -0.00246 0.00904 0.00414 0.00308 145 2PZ -0.00151 -0.00083 -0.00038 0.00615 0.00134 146 3S -0.00955 0.00162 0.01045 -0.00284 -0.00272 147 3PX -0.00836 -0.00071 0.00212 0.00000 -0.00714 148 3PY 0.00169 -0.00216 0.00531 0.00403 0.00308 149 3PZ -0.00184 0.00107 0.00269 0.00529 0.00040 150 4XX 0.00063 -0.00078 -0.00088 -0.00014 0.00008 151 4YY 0.00018 0.00045 -0.00030 0.00004 -0.00003 152 4ZZ -0.00002 -0.00011 0.00018 0.00006 -0.00024 153 4XY 0.00051 0.00008 -0.00009 -0.00017 0.00002 154 4XZ 0.00021 0.00013 -0.00014 0.00000 0.00006 155 4YZ -0.00026 0.00054 0.00048 0.00008 0.00028 156 20 O 1S -0.00077 0.00027 0.00064 0.00030 -0.00252 157 2S 0.00190 -0.00065 -0.00182 -0.00116 0.00539 158 2PX 0.00462 0.00042 -0.00852 -0.00314 0.00053 159 2PY 0.00423 -0.00414 -0.00308 0.00246 -0.00904 160 2PZ -0.00298 0.00615 0.00134 -0.00083 -0.00038 161 3S 0.00493 -0.00284 -0.00272 0.00162 0.01045 162 3PX 0.00489 0.00000 -0.00714 -0.00071 0.00212 163 3PY 0.00317 -0.00403 -0.00308 0.00216 -0.00531 164 3PZ -0.00197 0.00529 0.00040 0.00107 0.00269 165 4XX -0.00028 -0.00014 0.00008 -0.00078 -0.00088 166 4YY 0.00000 0.00004 -0.00003 0.00045 -0.00030 167 4ZZ 0.00022 0.00006 -0.00024 -0.00011 0.00018 168 4XY 0.00030 0.00017 -0.00002 -0.00008 0.00009 169 4XZ -0.00015 0.00000 0.00006 0.00013 -0.00014 170 4YZ 0.00001 -0.00008 -0.00028 -0.00054 -0.00048 171 21 C 1S -0.00020 0.00003 0.00032 0.00003 0.00032 172 2S 0.00145 -0.00057 -0.00251 -0.00057 -0.00251 173 2PX 0.00178 0.00048 -0.00236 0.00048 -0.00236 174 2PY 0.00108 0.00079 -0.00311 -0.00079 0.00311 175 2PZ 0.00026 0.00233 0.00527 0.00233 0.00527 176 3S 0.00175 -0.00148 -0.00319 -0.00148 -0.00319 177 3PX -0.00061 0.00031 -0.00078 0.00031 -0.00078 178 3PY -0.00008 -0.00086 -0.00100 0.00086 0.00100 179 3PZ 0.00033 0.00146 0.00219 0.00146 0.00219 180 4XX -0.00015 -0.00016 -0.00032 -0.00016 -0.00032 181 4YY -0.00005 0.00008 0.00021 0.00008 0.00021 182 4ZZ 0.00025 0.00006 0.00022 0.00006 0.00022 183 4XY -0.00050 -0.00003 0.00011 0.00003 -0.00011 184 4XZ 0.00001 -0.00021 0.00000 -0.00021 0.00000 185 4YZ -0.00019 -0.00029 0.00036 0.00029 -0.00036 186 22 H 1S 0.00093 0.00045 0.00163 0.00045 0.00163 187 2S 0.00051 0.00001 0.00218 0.00001 0.00218 188 23 H 1S -0.00122 -0.00050 -0.00051 -0.00050 -0.00051 189 2S -0.00266 0.00055 0.00035 0.00055 0.00035 101 102 103 104 105 101 12 H 1S 0.21549 102 2S 0.15286 0.12398 103 13 C 1S -0.00132 -0.00232 2.05092 104 2S 0.00099 0.00125 -0.05341 0.30682 105 2PX 0.00111 0.00626 0.00089 -0.00094 0.41188 106 2PY -0.00171 -0.00757 -0.00199 0.00121 -0.00499 107 2PZ -0.00124 -0.00091 -0.00339 0.00249 0.00312 108 3S 0.01424 0.01825 -0.18586 0.27975 0.00648 109 3PX -0.00070 0.00230 0.00226 -0.00385 0.18595 110 3PY -0.00473 -0.00674 0.00044 0.00253 0.00076 111 3PZ -0.00305 -0.00338 -0.00163 0.00937 -0.00744 112 4XX -0.00050 -0.00091 -0.01787 0.00019 -0.01071 113 4YY -0.00037 -0.00020 -0.01551 -0.00514 -0.00056 114 4ZZ 0.00053 0.00066 -0.01630 -0.00351 0.01052 115 4XY -0.00014 0.00005 0.00055 -0.00106 0.01581 116 4XZ 0.00044 0.00083 -0.00050 0.00110 0.01495 117 4YZ 0.00009 0.00029 -0.00140 0.00269 -0.00003 118 14 H 1S 0.00248 0.00465 -0.05287 0.10195 0.18026 119 2S 0.00447 0.00591 -0.00700 0.02105 0.16495 120 15 H 1S -0.00257 -0.00698 -0.05307 0.10305 -0.24405 121 2S -0.00622 -0.01089 -0.00471 0.02008 -0.21324 122 16 C 1S 0.00045 0.00048 0.01015 -0.01941 -0.00027 123 2S 0.00109 0.00573 -0.01941 0.03034 0.00112 124 2PX -0.00160 -0.00505 -0.00027 0.00112 -0.00075 125 2PY -0.00109 0.00098 -0.06234 0.12842 -0.00197 126 2PZ -0.00103 -0.00802 0.00368 -0.00768 -0.00493 127 3S -0.00629 -0.00090 0.00627 0.00956 -0.00445 128 3PX 0.00654 0.00371 -0.00051 0.00149 -0.00514 129 3PY -0.00366 -0.00288 -0.01398 0.04159 -0.00014 130 3PZ -0.00271 -0.00757 0.00321 -0.00963 0.00073 131 4XX 0.00098 0.00068 0.00206 -0.00506 0.00024 132 4YY 0.00039 0.00064 -0.00683 0.01180 0.00037 133 4ZZ -0.00090 -0.00135 0.00208 -0.00477 -0.00063 134 4XY -0.00011 0.00020 -0.00001 0.00002 0.01155 135 4XZ -0.00130 -0.00175 0.00011 -0.00018 -0.00064 136 4YZ 0.00010 0.00041 -0.00032 0.00030 0.00043 137 17 H 1S 0.00507 0.00721 0.00761 -0.02000 0.02272 138 2S 0.01533 0.01713 0.00792 -0.01756 0.04406 139 18 H 1S -0.00511 -0.00978 0.00840 -0.02008 -0.01885 140 2S -0.01065 -0.01718 0.01010 -0.02084 -0.03502 141 19 O 1S -0.00352 -0.00324 -0.00055 0.00099 -0.00447 142 2S 0.00990 0.00967 0.00228 -0.00252 0.00961 143 2PX 0.02877 0.05949 0.00379 -0.01216 0.01821 144 2PY -0.01996 -0.04326 0.00114 0.00119 0.00505 145 2PZ -0.00586 0.00658 0.00311 -0.00877 0.02212 146 3S 0.01898 0.01363 -0.00116 -0.00488 0.02701 147 3PX 0.02012 0.04089 0.00096 -0.00699 0.01209 148 3PY -0.01569 -0.03098 0.00085 0.00248 -0.00199 149 3PZ -0.00330 0.00722 0.00116 -0.00346 0.01266 150 4XX -0.00004 0.00016 0.00046 -0.00072 0.00019 151 4YY 0.00060 0.00204 0.00040 -0.00042 0.00023 152 4ZZ -0.00074 -0.00140 0.00021 0.00056 -0.00143 153 4XY 0.00077 -0.00066 -0.00008 0.00060 -0.00078 154 4XZ 0.00092 0.00084 -0.00030 0.00048 -0.00179 155 4YZ -0.00109 -0.00143 -0.00031 0.00067 -0.00146 156 20 O 1S 0.01458 0.01571 0.00035 -0.00090 0.00001 157 2S -0.02981 -0.03187 -0.00036 0.00121 -0.00059 158 2PX -0.01400 -0.01595 -0.00403 0.00893 0.00209 159 2PY 0.01735 0.02195 0.00108 -0.00204 0.00350 160 2PZ 0.04334 0.07312 -0.00486 0.01104 -0.00418 161 3S -0.07739 -0.06864 -0.00302 0.00783 0.00134 162 3PX -0.00236 0.00177 -0.00391 0.00955 0.00212 163 3PY 0.00922 0.01053 0.00036 -0.00118 0.00402 164 3PZ 0.03208 0.04921 -0.00478 0.00936 -0.00349 165 4XX 0.00288 0.00109 0.00039 -0.00038 -0.00086 166 4YY 0.00091 0.00185 0.00020 -0.00039 0.00015 167 4ZZ 0.00570 0.00403 0.00013 0.00006 0.00014 168 4XY -0.00313 -0.00327 -0.00012 0.00032 0.00016 169 4XZ -0.00366 -0.00123 0.00004 -0.00003 -0.00017 170 4YZ 0.00319 0.00428 -0.00012 0.00006 0.00007 171 21 C 1S -0.00735 -0.00777 -0.00065 0.00136 -0.00329 172 2S 0.02026 0.02246 0.00156 -0.00372 0.00906 173 2PX 0.01912 0.02698 0.00189 -0.00416 0.00785 174 2PY -0.03006 -0.03201 -0.00001 -0.00040 0.00185 175 2PZ -0.01935 -0.03245 0.00280 -0.00422 0.01831 176 3S 0.02999 0.02716 0.00356 -0.00478 0.01117 177 3PX 0.01340 0.01776 -0.00052 0.00167 -0.00735 178 3PY -0.02407 -0.02344 -0.00086 0.00110 -0.00495 179 3PZ -0.00663 -0.00697 0.00189 -0.00206 0.01917 180 4XX -0.00057 0.00091 -0.00032 0.00025 -0.00064 181 4YY 0.00081 0.00129 -0.00006 0.00027 -0.00022 182 4ZZ -0.00195 -0.00371 0.00026 -0.00041 0.00038 183 4XY -0.00002 0.00015 0.00015 -0.00060 0.00009 184 4XZ 0.00069 -0.00044 -0.00001 0.00004 -0.00050 185 4YZ -0.00063 -0.00038 0.00031 -0.00062 0.00027 186 22 H 1S -0.00729 -0.01729 0.00270 -0.00472 0.00803 187 2S -0.01840 -0.03271 -0.00011 -0.00129 -0.01068 188 23 H 1S -0.00082 0.00158 -0.00148 0.00242 -0.00372 189 2S -0.00206 0.00586 -0.00291 0.00563 -0.00933 106 107 108 109 110 106 2PY 0.38125 107 2PZ 0.00574 0.38896 108 3S -0.00793 -0.02478 0.30208 109 3PX -0.00356 -0.00070 0.00138 0.08584 110 3PY 0.17352 0.00966 -0.00728 -0.00186 0.08588 111 3PZ 0.00608 0.17988 -0.00699 -0.00654 0.00766 112 4XX 0.01029 0.01116 -0.00035 -0.00491 0.00456 113 4YY -0.01508 -0.00103 -0.00513 -0.00020 -0.00601 114 4ZZ 0.00819 -0.00581 -0.00015 0.00477 0.00318 115 4XY -0.00029 0.00039 -0.00117 0.00724 0.00004 116 4XZ -0.00053 0.01186 0.00235 0.00665 0.00025 117 4YZ 0.00069 0.01284 0.00251 -0.00017 0.00092 118 14 H 1S 0.08045 0.17916 0.09108 0.07908 0.04179 119 2S 0.06622 0.15932 0.01902 0.07322 0.03399 120 15 H 1S 0.09284 0.06754 0.08094 -0.11186 0.04140 121 2S 0.07583 0.05578 -0.00680 -0.09432 0.02999 122 16 C 1S 0.06234 0.00368 0.00627 -0.00051 0.01398 123 2S -0.12842 -0.00768 0.00956 0.00149 -0.04159 124 2PX 0.00197 -0.00493 -0.00445 -0.00514 0.00014 125 2PY -0.31488 -0.00211 0.12579 -0.00285 -0.14639 126 2PZ 0.00211 0.00696 -0.00425 0.00109 -0.01479 127 3S -0.12579 -0.00425 -0.03255 -0.00252 -0.03364 128 3PX 0.00285 0.00109 -0.00252 -0.00533 0.00180 129 3PY -0.14639 0.01479 0.03364 -0.00180 -0.06475 130 3PZ -0.00208 -0.00677 -0.00816 0.00276 -0.00906 131 4XX 0.00708 0.00043 -0.00421 0.00048 0.00296 132 4YY -0.00827 0.00046 0.01297 0.00018 -0.00461 133 4ZZ 0.00813 0.00082 -0.00656 -0.00073 0.00444 134 4XY -0.00033 0.00029 -0.00016 0.00535 0.00021 135 4XZ -0.00060 -0.00059 -0.00163 -0.00063 -0.00052 136 4YZ 0.00007 0.01048 0.00039 0.00012 0.00009 137 17 H 1S 0.02938 -0.00278 -0.01941 0.01473 0.01811 138 2S 0.05180 -0.00223 -0.00380 0.02327 0.02463 139 18 H 1S 0.02734 -0.01613 -0.03335 -0.00937 0.01272 140 2S 0.05262 -0.02228 -0.03229 -0.01824 0.02122 141 19 O 1S 0.00124 -0.00164 0.00837 -0.00231 0.00265 142 2S -0.00339 0.00099 -0.01855 0.00415 -0.00504 143 2PX -0.00614 0.00592 -0.01251 0.01345 -0.01906 144 2PY -0.00451 -0.00075 -0.03108 0.01808 -0.00893 145 2PZ -0.00844 -0.00282 -0.02062 0.03042 -0.03008 146 3S -0.00435 0.01800 -0.02749 0.01420 -0.00734 147 3PX -0.00447 0.00652 -0.00875 0.01046 -0.01350 148 3PY -0.00334 -0.00534 -0.01879 0.00958 -0.00610 149 3PZ -0.00584 -0.00686 -0.01344 0.01983 -0.02006 150 4XX -0.00039 0.00000 -0.00045 0.00034 -0.00079 151 4YY 0.00003 -0.00064 0.00149 -0.00081 0.00051 152 4ZZ 0.00010 -0.00159 -0.00030 -0.00048 0.00047 153 4XY 0.00045 -0.00066 0.00034 -0.00029 0.00084 154 4XZ 0.00033 -0.00045 0.00070 -0.00073 -0.00010 155 4YZ 0.00046 0.00005 0.00141 -0.00148 0.00138 156 20 O 1S 0.00021 0.00074 -0.00140 -0.00066 0.00031 157 2S -0.00149 -0.00001 0.00521 0.00116 -0.00170 158 2PX 0.00085 -0.00993 0.02578 0.00458 0.00795 159 2PY 0.00314 0.00004 -0.00373 0.01137 0.00147 160 2PZ -0.00133 -0.00777 0.01641 -0.00983 0.00789 161 3S 0.00365 -0.01230 0.00765 0.00274 0.00055 162 3PX 0.00073 -0.01197 0.02366 0.00319 0.00613 163 3PY 0.00359 -0.00176 -0.00328 0.00885 0.00121 164 3PZ -0.00254 -0.00680 0.01701 -0.00548 0.00420 165 4XX -0.00007 0.00102 -0.00092 -0.00070 0.00017 166 4YY -0.00010 0.00069 -0.00005 0.00042 -0.00011 167 4ZZ -0.00042 -0.00005 0.00064 0.00017 -0.00045 168 4XY -0.00007 -0.00049 0.00066 0.00030 0.00028 169 4XZ 0.00007 0.00004 -0.00026 -0.00021 0.00025 170 4YZ -0.00019 0.00002 0.00011 -0.00039 0.00016 171 21 C 1S 0.00005 0.00042 0.00215 -0.00092 0.00061 172 2S 0.00032 -0.00082 -0.00212 0.00274 -0.00100 173 2PX 0.00096 -0.00237 -0.00321 0.00252 -0.00027 174 2PY 0.00005 -0.00246 0.00569 0.00021 -0.00102 175 2PZ -0.00432 -0.00495 -0.01749 0.00966 -0.00547 176 3S -0.00019 -0.00239 -0.00294 0.00370 -0.00052 177 3PX -0.00475 -0.00092 0.00222 -0.00300 -0.00295 178 3PY 0.00071 -0.00067 0.00042 0.00015 -0.00061 179 3PZ -0.00415 -0.00710 -0.00571 0.01055 -0.00459 180 4XX -0.00036 0.00001 0.00117 0.00002 -0.00041 181 4YY -0.00026 -0.00012 -0.00037 0.00006 -0.00036 182 4ZZ 0.00035 -0.00005 -0.00068 -0.00030 0.00068 183 4XY -0.00014 0.00029 -0.00087 0.00002 -0.00095 184 4XZ 0.00006 -0.00002 -0.00078 -0.00006 -0.00017 185 4YZ -0.00019 0.00046 -0.00189 0.00109 -0.00100 186 22 H 1S 0.00102 -0.00060 -0.01209 0.00231 -0.00034 187 2S 0.00204 0.00671 -0.00942 -0.00804 0.00286 188 23 H 1S -0.00104 0.00045 0.00557 -0.00050 -0.00113 189 2S -0.00522 -0.00187 0.00912 -0.00122 -0.00426 111 112 113 114 115 111 3PZ 0.09074 112 4XX 0.00529 0.00113 113 4YY -0.00086 -0.00033 0.00121 114 4ZZ -0.00239 -0.00017 -0.00033 0.00105 115 4XY -0.00023 -0.00040 0.00003 0.00038 0.00096 116 4XZ 0.00508 -0.00023 -0.00007 0.00033 0.00054 117 4YZ 0.00612 0.00042 -0.00025 -0.00018 -0.00004 118 14 H 1S 0.08295 0.00243 -0.00576 0.00363 0.00696 119 2S 0.07121 0.00131 -0.00434 0.00445 0.00698 120 15 H 1S 0.03915 0.01149 -0.00486 -0.00663 -0.01023 121 2S 0.02565 0.01043 -0.00282 -0.00647 -0.00917 122 16 C 1S 0.00321 0.00206 -0.00683 0.00208 0.00001 123 2S -0.00963 -0.00506 0.01180 -0.00477 -0.00002 124 2PX 0.00073 0.00024 0.00037 -0.00063 -0.01155 125 2PY 0.00208 -0.00708 0.00827 -0.00813 -0.00033 126 2PZ -0.00677 0.00043 0.00046 0.00082 -0.00029 127 3S -0.00816 -0.00421 0.01297 -0.00656 0.00016 128 3PX 0.00276 0.00048 0.00018 -0.00073 -0.00535 129 3PY 0.00906 -0.00296 0.00461 -0.00444 0.00021 130 3PZ -0.00863 -0.00045 0.00072 0.00072 0.00024 131 4XX -0.00045 0.00013 -0.00014 0.00028 0.00031 132 4YY 0.00072 -0.00014 -0.00006 -0.00018 -0.00002 133 4ZZ 0.00072 0.00028 -0.00018 0.00011 -0.00028 134 4XY -0.00024 -0.00031 0.00002 0.00028 0.00089 135 4XZ -0.00015 0.00004 0.00013 -0.00008 -0.00042 136 4YZ 0.00526 0.00030 -0.00010 -0.00016 0.00003 137 17 H 1S -0.00845 -0.00095 0.00174 0.00161 0.00761 138 2S -0.00582 -0.00070 -0.00149 0.00325 0.00741 139 18 H 1S -0.01224 0.00039 0.00276 -0.00025 -0.00568 140 2S -0.01141 0.00188 -0.00032 0.00040 -0.00580 141 19 O 1S 0.00095 0.00014 -0.00007 0.00013 -0.00014 142 2S -0.00118 -0.00029 0.00012 -0.00040 0.00034 143 2PX -0.02776 0.00093 0.00022 -0.00224 0.00076 144 2PY -0.01363 -0.00024 0.00054 0.00010 0.00014 145 2PZ -0.04822 0.00025 0.00078 -0.00182 0.00109 146 3S 0.00314 -0.00059 0.00044 -0.00016 0.00080 147 3PX -0.01961 0.00078 0.00045 -0.00192 0.00051 148 3PY -0.01099 -0.00013 0.00037 -0.00007 -0.00004 149 3PZ -0.03602 0.00032 0.00083 -0.00189 0.00072 150 4XX -0.00089 -0.00003 -0.00008 0.00010 0.00001 151 4YY 0.00054 -0.00002 -0.00001 0.00000 0.00003 152 4ZZ -0.00017 0.00005 0.00006 -0.00010 -0.00003 153 4XY 0.00070 -0.00005 -0.00001 0.00010 -0.00004 154 4XZ -0.00054 0.00002 -0.00002 -0.00001 -0.00007 155 4YZ 0.00194 0.00000 0.00001 0.00001 -0.00006 156 20 O 1S 0.00119 0.00004 -0.00004 -0.00007 0.00020 157 2S -0.00313 -0.00018 0.00000 0.00014 -0.00047 158 2PX -0.00207 -0.00035 -0.00056 -0.00002 -0.00080 159 2PY -0.00662 -0.00002 -0.00024 0.00066 0.00022 160 2PZ 0.00188 -0.00015 -0.00030 -0.00126 -0.00112 161 3S -0.01042 -0.00035 0.00020 -0.00016 -0.00093 162 3PX -0.00363 -0.00055 -0.00032 0.00000 -0.00060 163 3PY -0.00584 0.00000 -0.00020 0.00047 0.00006 164 3PZ -0.00022 -0.00026 -0.00007 -0.00093 -0.00079 165 4XX 0.00061 0.00007 -0.00005 -0.00002 -0.00004 166 4YY 0.00010 0.00001 -0.00003 0.00003 0.00000 167 4ZZ 0.00006 -0.00005 0.00001 0.00004 0.00004 168 4XY -0.00015 -0.00001 -0.00001 -0.00001 -0.00002 169 4XZ 0.00019 0.00001 0.00001 -0.00001 0.00005 170 4YZ 0.00026 0.00000 -0.00005 0.00000 -0.00005 171 21 C 1S -0.00086 -0.00002 0.00007 -0.00007 -0.00013 172 2S 0.00004 -0.00013 -0.00026 0.00031 0.00022 173 2PX 0.00164 0.00008 -0.00029 0.00045 0.00040 174 2PY -0.00025 -0.00010 0.00006 0.00004 0.00023 175 2PZ 0.00070 -0.00011 0.00016 0.00025 0.00061 176 3S 0.00040 -0.00031 -0.00036 0.00070 0.00022 177 3PX -0.00092 0.00023 0.00004 -0.00033 0.00002 178 3PY -0.00171 0.00022 0.00001 -0.00011 -0.00030 179 3PZ -0.00645 -0.00043 0.00024 -0.00014 0.00032 180 4XX -0.00132 0.00004 0.00000 -0.00014 -0.00004 181 4YY -0.00059 -0.00002 0.00003 -0.00003 -0.00002 182 4ZZ 0.00184 -0.00001 -0.00002 0.00014 0.00004 183 4XY -0.00079 0.00006 0.00003 -0.00009 0.00003 184 4XZ -0.00014 0.00002 0.00000 -0.00001 0.00000 185 4YZ -0.00153 0.00005 0.00004 -0.00005 0.00003 186 22 H 1S 0.00659 0.00011 -0.00020 0.00062 0.00045 187 2S 0.01557 0.00053 -0.00023 0.00073 0.00022 188 23 H 1S -0.00515 0.00001 0.00012 -0.00060 -0.00026 189 2S -0.01009 0.00014 0.00038 -0.00132 -0.00035 116 117 118 119 120 116 4XZ 0.00130 117 4YZ 0.00042 0.00091 118 14 H 1S 0.01312 0.00750 0.21529 119 2S 0.01252 0.00650 0.17308 0.15894 120 15 H 1S -0.00742 0.00360 -0.02500 -0.05205 0.21593 121 2S -0.00856 0.00244 -0.05357 -0.06142 0.16994 122 16 C 1S 0.00011 0.00032 0.00840 0.01010 0.00761 123 2S -0.00018 -0.00030 -0.02008 -0.02084 -0.02000 124 2PX -0.00064 -0.00043 -0.01885 -0.03502 0.02272 125 2PY 0.00060 0.00007 -0.02734 -0.05262 -0.02938 126 2PZ -0.00059 -0.01048 -0.01613 -0.02228 -0.00278 127 3S -0.00163 -0.00039 -0.03335 -0.03229 -0.01941 128 3PX -0.00063 -0.00012 -0.00937 -0.01824 0.01473 129 3PY 0.00052 0.00009 -0.01272 -0.02122 -0.01811 130 3PZ -0.00015 -0.00526 -0.01224 -0.01141 -0.00845 131 4XX 0.00004 -0.00030 0.00039 0.00188 -0.00095 132 4YY 0.00013 0.00010 0.00276 -0.00032 0.00174 133 4ZZ -0.00008 0.00016 -0.00025 0.00040 0.00161 134 4XY 0.00042 0.00003 0.00568 0.00580 -0.00761 135 4XZ -0.00011 -0.00036 -0.00207 -0.00284 0.00092 136 4YZ 0.00036 0.00065 0.00549 0.00499 0.00178 137 17 H 1S 0.00092 -0.00178 0.01701 0.03048 -0.02780 138 2S 0.00198 -0.00144 0.03245 0.04130 -0.03451 139 18 H 1S -0.00207 -0.00549 -0.03157 -0.03522 0.01701 140 2S -0.00284 -0.00499 -0.03522 -0.03753 0.03048 141 19 O 1S -0.00013 -0.00001 -0.00177 -0.00269 0.00247 142 2S 0.00031 -0.00010 0.00218 0.00416 -0.00571 143 2PX 0.00009 -0.00011 0.00116 0.00434 -0.00293 144 2PY -0.00041 -0.00023 -0.00041 0.00207 -0.00146 145 2PZ -0.00040 -0.00069 -0.00143 0.00443 -0.00480 146 3S 0.00116 0.00073 0.01641 0.01705 -0.01333 147 3PX -0.00035 0.00011 0.00081 0.00079 0.00015 148 3PY -0.00063 -0.00034 -0.00446 -0.00283 0.00175 149 3PZ -0.00109 -0.00072 -0.00561 -0.00444 -0.00079 150 4XX 0.00016 -0.00002 0.00021 0.00130 -0.00054 151 4YY 0.00000 -0.00004 -0.00032 -0.00042 -0.00055 152 4ZZ -0.00024 -0.00005 -0.00157 -0.00217 0.00098 153 4XY -0.00003 -0.00002 -0.00023 -0.00037 0.00014 154 4XZ -0.00005 -0.00001 -0.00065 -0.00047 0.00117 155 4YZ -0.00007 0.00002 -0.00028 -0.00097 0.00064 156 20 O 1S 0.00011 0.00014 0.00058 0.00121 -0.00029 157 2S -0.00016 -0.00015 -0.00069 -0.00104 0.00059 158 2PX -0.00059 -0.00081 -0.00313 -0.01765 0.00035 159 2PY 0.00033 0.00016 0.00275 0.00414 -0.00238 160 2PZ -0.00133 -0.00077 -0.00692 -0.02057 0.00406 161 3S -0.00111 -0.00109 -0.00618 -0.01247 0.00244 162 3PX -0.00059 -0.00079 -0.00336 -0.01545 -0.00061 163 3PY 0.00009 -0.00008 0.00131 0.00143 -0.00185 164 3PZ -0.00109 -0.00050 -0.00539 -0.01639 0.00295 165 4XX 0.00003 0.00003 0.00001 0.00042 0.00050 166 4YY 0.00006 0.00005 0.00039 0.00062 -0.00015 167 4ZZ 0.00004 0.00005 0.00029 0.00048 -0.00026 168 4XY -0.00002 -0.00005 -0.00021 -0.00079 -0.00004 169 4XZ -0.00001 0.00001 0.00001 0.00008 0.00001 170 4YZ 0.00002 -0.00001 0.00001 -0.00007 -0.00004 171 21 C 1S -0.00031 -0.00004 -0.00112 -0.00173 0.00189 172 2S 0.00060 0.00002 0.00309 0.00488 -0.00550 173 2PX 0.00058 0.00003 0.00252 0.00483 -0.00397 174 2PY 0.00013 -0.00015 -0.00028 -0.00067 -0.00120 175 2PZ 0.00055 -0.00015 0.00308 0.00345 -0.00842 176 3S 0.00098 0.00006 0.00385 0.00721 -0.00813 177 3PX -0.00021 -0.00001 -0.00343 -0.00266 0.00445 178 3PY -0.00028 -0.00003 -0.00247 -0.00303 0.00431 179 3PZ 0.00007 -0.00027 0.00142 -0.00121 -0.00991 180 4XX -0.00008 -0.00003 -0.00055 -0.00102 0.00060 181 4YY -0.00005 -0.00002 -0.00024 -0.00017 0.00010 182 4ZZ 0.00010 0.00005 0.00047 0.00083 -0.00049 183 4XY -0.00001 0.00001 -0.00017 0.00030 0.00027 184 4XZ -0.00002 0.00000 -0.00018 0.00000 0.00039 185 4YZ -0.00002 0.00002 -0.00005 0.00052 0.00016 186 22 H 1S 0.00073 0.00012 0.00355 0.00647 -0.00401 187 2S 0.00062 0.00042 0.00220 0.00728 0.00596 188 23 H 1S -0.00048 -0.00011 -0.00241 -0.00501 0.00266 189 2S -0.00118 -0.00027 -0.00705 -0.01207 0.00702 121 122 123 124 125 121 2S 0.16628 122 16 C 1S 0.00792 2.05092 123 2S -0.01756 -0.05341 0.30682 124 2PX 0.04406 0.00089 -0.00094 0.41188 125 2PY -0.05180 0.00199 -0.00121 0.00499 0.38125 126 2PZ -0.00223 -0.00339 0.00249 0.00312 -0.00574 127 3S -0.00380 -0.18586 0.27975 0.00648 0.00793 128 3PX 0.02327 0.00226 -0.00385 0.18595 0.00356 129 3PY -0.02463 -0.00044 -0.00253 -0.00076 0.17352 130 3PZ -0.00582 -0.00163 0.00937 -0.00744 -0.00608 131 4XX -0.00070 -0.01787 0.00019 -0.01071 -0.01029 132 4YY -0.00149 -0.01551 -0.00514 -0.00056 0.01508 133 4ZZ 0.00325 -0.01630 -0.00351 0.01052 -0.00819 134 4XY -0.00741 -0.00055 0.00106 -0.01581 -0.00029 135 4XZ 0.00198 -0.00050 0.00110 0.01495 0.00053 136 4YZ 0.00144 0.00140 -0.00269 0.00003 0.00069 137 17 H 1S -0.03451 -0.05307 0.10305 -0.24405 -0.09284 138 2S -0.04555 -0.00471 0.02008 -0.21324 -0.07583 139 18 H 1S 0.03245 -0.05287 0.10195 0.18026 -0.08045 140 2S 0.04130 -0.00700 0.02105 0.16495 -0.06622 141 19 O 1S -0.00390 0.00035 -0.00090 0.00001 -0.00021 142 2S 0.00520 -0.00036 0.00121 -0.00059 0.00149 143 2PX 0.03405 -0.00403 0.00893 0.00209 -0.00085 144 2PY 0.03723 -0.00108 0.00204 -0.00350 0.00314 145 2PZ 0.06462 -0.00486 0.01104 -0.00418 0.00133 146 3S 0.00937 -0.00302 0.00783 0.00134 -0.00365 147 3PX 0.02980 -0.00391 0.00955 0.00212 -0.00073 148 3PY 0.02632 -0.00036 0.00118 -0.00402 0.00359 149 3PZ 0.04875 -0.00478 0.00936 -0.00349 0.00254 150 4XX 0.00006 0.00039 -0.00038 -0.00086 0.00007 151 4YY -0.00276 0.00020 -0.00039 0.00015 0.00010 152 4ZZ 0.00098 0.00013 0.00006 0.00014 0.00042 153 4XY -0.00087 0.00012 -0.00032 -0.00016 -0.00007 154 4XZ 0.00114 0.00004 -0.00003 -0.00017 -0.00007 155 4YZ -0.00220 0.00012 -0.00006 -0.00007 -0.00019 156 20 O 1S -0.00186 -0.00055 0.00099 -0.00447 -0.00124 157 2S 0.00405 0.00228 -0.00252 0.00961 0.00339 158 2PX -0.00766 0.00379 -0.01216 0.01821 0.00614 159 2PY 0.00835 -0.00114 -0.00119 -0.00505 -0.00451 160 2PZ -0.00691 0.00311 -0.00877 0.02212 0.00844 161 3S 0.01126 -0.00116 -0.00488 0.02701 0.00435 162 3PX -0.00768 0.00096 -0.00699 0.01209 0.00447 163 3PY 0.00726 -0.00085 -0.00248 0.00199 -0.00334 164 3PZ -0.00401 0.00116 -0.00346 0.01266 0.00584 165 4XX 0.00018 0.00046 -0.00072 0.00019 0.00039 166 4YY 0.00006 0.00040 -0.00042 0.00023 -0.00003 167 4ZZ -0.00050 0.00021 0.00056 -0.00143 -0.00010 168 4XY -0.00018 0.00008 -0.00060 0.00078 0.00045 169 4XZ -0.00030 -0.00030 0.00048 -0.00179 -0.00033 170 4YZ -0.00058 0.00031 -0.00067 0.00146 0.00046 171 21 C 1S 0.00272 -0.00065 0.00136 -0.00329 -0.00005 172 2S -0.00661 0.00156 -0.00372 0.00906 -0.00032 173 2PX -0.00748 0.00189 -0.00416 0.00785 -0.00096 174 2PY -0.00478 0.00001 0.00040 -0.00185 0.00005 175 2PZ -0.00090 0.00280 -0.00422 0.01831 0.00432 176 3S -0.01072 0.00356 -0.00478 0.01117 0.00019 177 3PX 0.00292 -0.00052 0.00167 -0.00735 0.00475 178 3PY 0.00729 0.00086 -0.00110 0.00495 0.00071 179 3PZ 0.00070 0.00189 -0.00206 0.01917 0.00415 180 4XX 0.00160 -0.00032 0.00025 -0.00064 0.00036 181 4YY 0.00112 -0.00006 0.00027 -0.00022 0.00026 182 4ZZ -0.00256 0.00026 -0.00041 0.00038 -0.00035 183 4XY 0.00147 -0.00015 0.00060 -0.00009 -0.00014 184 4XZ 0.00094 -0.00001 0.00004 -0.00050 -0.00006 185 4YZ 0.00313 -0.00031 0.00062 -0.00027 -0.00019 186 22 H 1S -0.00757 0.00270 -0.00472 0.00803 -0.00102 187 2S -0.00842 -0.00011 -0.00129 -0.01068 -0.00204 188 23 H 1S 0.00727 -0.00148 0.00242 -0.00372 0.00104 189 2S 0.01619 -0.00291 0.00563 -0.00933 0.00522 126 127 128 129 130 126 2PZ 0.38896 127 3S -0.02478 0.30208 128 3PX -0.00070 0.00138 0.08584 129 3PY -0.00966 0.00728 0.00186 0.08588 130 3PZ 0.17988 -0.00699 -0.00654 -0.00766 0.09074 131 4XX 0.01116 -0.00035 -0.00491 -0.00456 0.00529 132 4YY -0.00103 -0.00513 -0.00020 0.00601 -0.00086 133 4ZZ -0.00581 -0.00015 0.00477 -0.00318 -0.00239 134 4XY -0.00039 0.00117 -0.00724 0.00004 0.00023 135 4XZ 0.01186 0.00235 0.00665 -0.00025 0.00508 136 4YZ -0.01284 -0.00251 0.00017 0.00092 -0.00612 137 17 H 1S 0.06754 0.08094 -0.11186 -0.04140 0.03915 138 2S 0.05578 -0.00680 -0.09432 -0.02999 0.02565 139 18 H 1S 0.17916 0.09108 0.07908 -0.04179 0.08295 140 2S 0.15932 0.01902 0.07322 -0.03399 0.07121 141 19 O 1S 0.00074 -0.00140 -0.00066 -0.00031 0.00119 142 2S -0.00001 0.00521 0.00116 0.00170 -0.00313 143 2PX -0.00993 0.02578 0.00458 -0.00795 -0.00207 144 2PY -0.00004 0.00373 -0.01137 0.00147 0.00662 145 2PZ -0.00777 0.01641 -0.00983 -0.00789 0.00188 146 3S -0.01230 0.00765 0.00274 -0.00055 -0.01042 147 3PX -0.01197 0.02366 0.00319 -0.00613 -0.00363 148 3PY 0.00176 0.00328 -0.00885 0.00121 0.00584 149 3PZ -0.00680 0.01701 -0.00548 -0.00420 -0.00022 150 4XX 0.00102 -0.00092 -0.00070 -0.00017 0.00061 151 4YY 0.00069 -0.00005 0.00042 0.00011 0.00010 152 4ZZ -0.00005 0.00064 0.00017 0.00045 0.00006 153 4XY 0.00049 -0.00066 -0.00030 0.00028 0.00015 154 4XZ 0.00004 -0.00026 -0.00021 -0.00025 0.00019 155 4YZ -0.00002 -0.00011 0.00039 0.00016 -0.00026 156 20 O 1S -0.00164 0.00837 -0.00231 -0.00265 0.00095 157 2S 0.00099 -0.01855 0.00415 0.00504 -0.00118 158 2PX 0.00592 -0.01251 0.01345 0.01906 -0.02776 159 2PY 0.00075 0.03108 -0.01808 -0.00893 0.01363 160 2PZ -0.00282 -0.02062 0.03042 0.03008 -0.04822 161 3S 0.01800 -0.02749 0.01420 0.00734 0.00314 162 3PX 0.00652 -0.00875 0.01046 0.01350 -0.01961 163 3PY 0.00534 0.01879 -0.00958 -0.00610 0.01099 164 3PZ -0.00686 -0.01344 0.01983 0.02006 -0.03602 165 4XX 0.00000 -0.00045 0.00034 0.00079 -0.00089 166 4YY -0.00064 0.00149 -0.00081 -0.00051 0.00054 167 4ZZ -0.00159 -0.00030 -0.00048 -0.00047 -0.00017 168 4XY 0.00066 -0.00034 0.00029 0.00084 -0.00070 169 4XZ -0.00045 0.00070 -0.00073 0.00010 -0.00054 170 4YZ -0.00005 -0.00141 0.00148 0.00138 -0.00194 171 21 C 1S 0.00042 0.00215 -0.00092 -0.00061 -0.00086 172 2S -0.00082 -0.00212 0.00274 0.00100 0.00004 173 2PX -0.00237 -0.00321 0.00252 0.00027 0.00164 174 2PY 0.00246 -0.00569 -0.00021 -0.00102 0.00025 175 2PZ -0.00495 -0.01749 0.00966 0.00547 0.00070 176 3S -0.00239 -0.00294 0.00370 0.00052 0.00040 177 3PX -0.00092 0.00222 -0.00300 0.00295 -0.00092 178 3PY 0.00067 -0.00042 -0.00015 -0.00061 0.00171 179 3PZ -0.00710 -0.00571 0.01055 0.00459 -0.00645 180 4XX 0.00001 0.00117 0.00002 0.00041 -0.00132 181 4YY -0.00012 -0.00037 0.00006 0.00036 -0.00059 182 4ZZ -0.00005 -0.00068 -0.00030 -0.00068 0.00184 183 4XY -0.00029 0.00087 -0.00002 -0.00095 0.00079 184 4XZ -0.00002 -0.00078 -0.00006 0.00017 -0.00014 185 4YZ -0.00046 0.00189 -0.00109 -0.00100 0.00153 186 22 H 1S -0.00060 -0.01209 0.00231 0.00034 0.00659 187 2S 0.00671 -0.00942 -0.00804 -0.00286 0.01557 188 23 H 1S 0.00045 0.00558 -0.00050 0.00113 -0.00515 189 2S -0.00187 0.00912 -0.00122 0.00426 -0.01009 131 132 133 134 135 131 4XX 0.00113 132 4YY -0.00033 0.00121 133 4ZZ -0.00017 -0.00033 0.00105 134 4XY 0.00040 -0.00003 -0.00038 0.00096 135 4XZ -0.00023 -0.00007 0.00033 -0.00054 0.00130 136 4YZ -0.00042 0.00025 0.00018 -0.00004 -0.00042 137 17 H 1S 0.01149 -0.00486 -0.00663 0.01023 -0.00742 138 2S 0.01043 -0.00282 -0.00647 0.00917 -0.00856 139 18 H 1S 0.00243 -0.00576 0.00363 -0.00696 0.01312 140 2S 0.00131 -0.00434 0.00445 -0.00698 0.01252 141 19 O 1S 0.00004 -0.00004 -0.00007 -0.00020 0.00011 142 2S -0.00018 0.00000 0.00014 0.00047 -0.00016 143 2PX -0.00035 -0.00056 -0.00002 0.00080 -0.00059 144 2PY 0.00002 0.00024 -0.00066 0.00022 -0.00033 145 2PZ -0.00015 -0.00030 -0.00126 0.00112 -0.00133 146 3S -0.00035 0.00020 -0.00016 0.00093 -0.00111 147 3PX -0.00055 -0.00032 0.00000 0.00060 -0.00059 148 3PY 0.00000 0.00020 -0.00047 0.00006 -0.00009 149 3PZ -0.00026 -0.00007 -0.00093 0.00079 -0.00109 150 4XX 0.00007 -0.00005 -0.00002 0.00004 0.00003 151 4YY 0.00001 -0.00003 0.00003 0.00000 0.00006 152 4ZZ -0.00005 0.00001 0.00004 -0.00004 0.00004 153 4XY 0.00001 0.00001 0.00001 -0.00002 0.00002 154 4XZ 0.00001 0.00001 -0.00001 -0.00005 -0.00001 155 4YZ 0.00000 0.00005 0.00000 -0.00005 -0.00002 156 20 O 1S 0.00014 -0.00007 0.00013 0.00014 -0.00013 157 2S -0.00029 0.00012 -0.00040 -0.00034 0.00031 158 2PX 0.00093 0.00022 -0.00224 -0.00076 0.00009 159 2PY 0.00024 -0.00054 -0.00010 0.00014 0.00041 160 2PZ 0.00025 0.00078 -0.00182 -0.00109 -0.00040 161 3S -0.00059 0.00044 -0.00016 -0.00080 0.00116 162 3PX 0.00078 0.00045 -0.00192 -0.00051 -0.00035 163 3PY 0.00013 -0.00037 0.00007 -0.00004 0.00063 164 3PZ 0.00032 0.00083 -0.00189 -0.00072 -0.00109 165 4XX -0.00003 -0.00008 0.00010 -0.00001 0.00016 166 4YY -0.00002 -0.00001 0.00000 -0.00003 0.00000 167 4ZZ 0.00005 0.00006 -0.00010 0.00003 -0.00024 168 4XY 0.00005 0.00001 -0.00010 -0.00004 0.00003 169 4XZ 0.00002 -0.00002 -0.00001 0.00007 -0.00005 170 4YZ 0.00000 -0.00001 -0.00001 -0.00006 0.00007 171 21 C 1S -0.00002 0.00007 -0.00007 0.00013 -0.00031 172 2S -0.00013 -0.00026 0.00031 -0.00022 0.00060 173 2PX 0.00008 -0.00029 0.00045 -0.00040 0.00058 174 2PY 0.00010 -0.00006 -0.00004 0.00023 -0.00013 175 2PZ -0.00011 0.00016 0.00025 -0.00061 0.00055 176 3S -0.00031 -0.00036 0.00070 -0.00022 0.00098 177 3PX 0.00023 0.00004 -0.00033 -0.00002 -0.00021 178 3PY -0.00022 -0.00001 0.00011 -0.00030 0.00028 179 3PZ -0.00043 0.00024 -0.00014 -0.00032 0.00007 180 4XX 0.00004 0.00000 -0.00014 0.00004 -0.00008 181 4YY -0.00002 0.00003 -0.00003 0.00002 -0.00005 182 4ZZ -0.00001 -0.00002 0.00014 -0.00004 0.00010 183 4XY -0.00006 -0.00003 0.00009 0.00003 0.00001 184 4XZ 0.00002 0.00000 -0.00001 0.00000 -0.00002 185 4YZ -0.00005 -0.00004 0.00005 0.00003 0.00002 186 22 H 1S 0.00011 -0.00020 0.00062 -0.00045 0.00073 187 2S 0.00053 -0.00023 0.00073 -0.00022 0.00062 188 23 H 1S 0.00001 0.00012 -0.00060 0.00026 -0.00048 189 2S 0.00014 0.00038 -0.00132 0.00035 -0.00118 136 137 138 139 140 136 4YZ 0.00091 137 17 H 1S -0.00360 0.21593 138 2S -0.00244 0.16994 0.16628 139 18 H 1S -0.00750 -0.02500 -0.05357 0.21529 140 2S -0.00650 -0.05205 -0.06142 0.17308 0.15894 141 19 O 1S -0.00014 -0.00029 -0.00186 0.00058 0.00121 142 2S 0.00015 0.00059 0.00405 -0.00069 -0.00104 143 2PX 0.00081 0.00035 -0.00766 -0.00313 -0.01765 144 2PY 0.00016 0.00238 -0.00835 -0.00275 -0.00414 145 2PZ 0.00077 0.00406 -0.00691 -0.00692 -0.02057 146 3S 0.00109 0.00244 0.01126 -0.00618 -0.01247 147 3PX 0.00079 -0.00061 -0.00768 -0.00336 -0.01545 148 3PY -0.00008 0.00185 -0.00726 -0.00131 -0.00143 149 3PZ 0.00050 0.00295 -0.00401 -0.00539 -0.01639 150 4XX -0.00003 0.00050 0.00018 0.00001 0.00042 151 4YY -0.00005 -0.00015 0.00006 0.00039 0.00062 152 4ZZ -0.00005 -0.00026 -0.00050 0.00029 0.00048 153 4XY -0.00005 0.00004 0.00018 0.00021 0.00079 154 4XZ -0.00001 0.00001 -0.00030 0.00001 0.00008 155 4YZ -0.00001 0.00004 0.00058 -0.00001 0.00007 156 20 O 1S 0.00001 0.00247 -0.00390 -0.00177 -0.00269 157 2S 0.00010 -0.00571 0.00520 0.00218 0.00416 158 2PX 0.00011 -0.00293 0.03405 0.00116 0.00434 159 2PY -0.00023 0.00146 -0.03723 0.00041 -0.00207 160 2PZ 0.00069 -0.00480 0.06462 -0.00143 0.00443 161 3S -0.00073 -0.01333 0.00937 0.01641 0.01705 162 3PX -0.00011 0.00015 0.02980 0.00081 0.00079 163 3PY -0.00034 -0.00175 -0.02632 0.00446 0.00283 164 3PZ 0.00072 -0.00079 0.04875 -0.00561 -0.00444 165 4XX 0.00002 -0.00054 0.00006 0.00021 0.00130 166 4YY 0.00004 -0.00055 -0.00276 -0.00032 -0.00042 167 4ZZ 0.00005 0.00098 0.00098 -0.00157 -0.00217 168 4XY -0.00002 -0.00014 0.00087 0.00023 0.00037 169 4XZ 0.00001 0.00117 0.00114 -0.00065 -0.00047 170 4YZ 0.00002 -0.00064 0.00220 0.00028 0.00097 171 21 C 1S 0.00004 0.00189 0.00272 -0.00112 -0.00173 172 2S -0.00002 -0.00550 -0.00661 0.00309 0.00488 173 2PX -0.00003 -0.00397 -0.00748 0.00252 0.00483 174 2PY -0.00015 0.00120 0.00478 0.00028 0.00067 175 2PZ 0.00015 -0.00842 -0.00090 0.00308 0.00345 176 3S -0.00006 -0.00813 -0.01072 0.00385 0.00721 177 3PX 0.00001 0.00445 0.00292 -0.00343 -0.00266 178 3PY -0.00003 -0.00431 -0.00729 0.00247 0.00303 179 3PZ 0.00027 -0.00991 0.00070 0.00142 -0.00121 180 4XX 0.00003 0.00060 0.00160 -0.00055 -0.00102 181 4YY 0.00002 0.00010 0.00112 -0.00024 -0.00017 182 4ZZ -0.00005 -0.00049 -0.00256 0.00047 0.00083 183 4XY 0.00001 -0.00027 -0.00147 0.00017 -0.00030 184 4XZ 0.00000 0.00039 0.00094 -0.00018 0.00000 185 4YZ 0.00002 -0.00016 -0.00313 0.00005 -0.00052 186 22 H 1S -0.00012 -0.00401 -0.00757 0.00355 0.00647 187 2S -0.00042 0.00596 -0.00842 0.00220 0.00728 188 23 H 1S 0.00011 0.00266 0.00727 -0.00241 -0.00501 189 2S 0.00027 0.00702 0.01619 -0.00705 -0.01207 141 142 143 144 145 141 19 O 1S 2.07557 142 2S -0.17799 0.50359 143 2PX 0.01250 -0.02848 0.64787 144 2PY -0.03973 0.07465 -0.02591 0.66558 145 2PZ -0.00479 0.00378 0.13784 0.04097 0.71656 146 3S -0.24523 0.59251 -0.04937 0.21999 0.05282 147 3PX 0.00937 -0.02092 0.40595 -0.03492 0.15871 148 3PY -0.02573 0.04921 -0.03541 0.42233 0.03763 149 3PZ -0.00454 0.00465 0.14600 0.04614 0.46287 150 4XX -0.01520 -0.00285 0.01348 0.00530 0.00322 151 4YY -0.01267 -0.00833 -0.00249 -0.04105 -0.00244 152 4ZZ -0.01397 -0.00548 -0.00533 0.00589 -0.00733 153 4XY -0.00150 0.00344 -0.02796 0.00807 -0.00450 154 4XZ 0.00372 -0.00792 -0.00238 0.00090 0.00742 155 4YZ 0.00139 -0.00292 -0.00402 -0.00308 -0.02923 156 20 O 1S 0.00092 -0.00175 0.00452 -0.01104 -0.00932 157 2S -0.00175 0.00434 -0.00772 0.02887 0.01773 158 2PX 0.00452 -0.00772 0.00554 0.00092 0.01624 159 2PY 0.01104 -0.02887 -0.00092 0.13550 0.00572 160 2PZ -0.00932 0.01773 0.01624 -0.00572 0.00701 161 3S -0.01295 0.02675 -0.03681 0.05939 0.07067 162 3PX 0.00662 -0.01438 0.00626 0.00134 0.00568 163 3PY 0.00453 -0.01240 -0.00193 0.10448 0.01083 164 3PZ -0.01027 0.02058 0.00998 -0.00173 0.01670 165 4XX 0.00031 -0.00032 0.00140 0.00226 -0.00269 166 4YY 0.00035 -0.00120 -0.00051 -0.00223 0.00072 167 4ZZ -0.00024 0.00068 0.00158 0.00197 -0.00342 168 4XY 0.00079 -0.00193 0.00037 0.00332 0.00069 169 4XZ -0.00022 0.00068 -0.00132 -0.00299 0.00072 170 4YZ -0.00075 0.00177 0.00019 -0.00195 0.00060 171 21 C 1S 0.00354 -0.00655 0.02524 0.05976 -0.02421 172 2S -0.00182 0.00255 -0.05128 -0.13128 0.04936 173 2PX -0.01530 0.03726 -0.05318 -0.13986 0.05327 174 2PY -0.02797 0.06677 -0.12294 -0.21997 0.13948 175 2PZ 0.01500 -0.03596 0.05822 0.14514 -0.05257 176 3S 0.02924 -0.07391 -0.03116 -0.09643 0.02268 177 3PX 0.00403 -0.00862 0.00237 -0.05247 0.04081 178 3PY -0.00234 0.00203 -0.04752 -0.01939 0.06253 179 3PZ -0.00333 0.00686 0.06071 0.05201 0.03542 180 4XX 0.00248 -0.00539 0.02408 -0.00103 0.00835 181 4YY -0.00615 0.01471 -0.01378 0.00404 0.01596 182 4ZZ 0.00217 -0.00418 -0.00780 -0.00108 -0.02692 183 4XY -0.00392 0.00925 0.00688 -0.01986 0.01748 184 4XZ 0.00149 -0.00368 -0.00132 0.01286 0.00135 185 4YZ 0.00458 -0.01105 0.01703 0.02150 0.00889 186 22 H 1S 0.00889 -0.02015 -0.02511 0.01453 -0.07387 187 2S 0.00532 -0.01017 -0.08181 0.02793 -0.15908 188 23 H 1S 0.01026 -0.02489 0.06500 0.01387 0.02894 189 2S 0.00569 -0.01480 0.11693 0.03139 0.07574 146 147 148 149 150 146 3S 0.75619 147 3PX -0.03226 0.26575 148 3PY 0.14005 -0.03229 0.26980 149 3PZ 0.04142 0.13779 0.03454 0.30855 150 4XX -0.00420 0.00784 0.00286 0.00301 0.00104 151 4YY -0.01835 -0.00029 -0.02560 -0.00326 -0.00033 152 4ZZ -0.00646 -0.00401 0.00371 -0.00473 0.00002 153 4XY 0.00490 -0.01726 0.00593 -0.00506 -0.00037 154 4XZ -0.00741 -0.00077 0.00087 0.00424 -0.00009 155 4YZ -0.00413 -0.00508 -0.00252 -0.01812 -0.00023 156 20 O 1S -0.01295 0.00662 -0.00453 -0.01027 0.00031 157 2S 0.02675 -0.01438 0.01240 0.02058 -0.00032 158 2PX -0.03681 0.00626 0.00193 0.00998 0.00140 159 2PY -0.05939 -0.00134 0.10448 0.00173 -0.00226 160 2PZ 0.07067 0.00568 -0.01083 0.01670 -0.00269 161 3S 0.08394 -0.02856 0.02903 0.05949 -0.00148 162 3PX -0.02856 0.00661 0.00116 0.00631 0.00031 163 3PY -0.02903 -0.00116 0.07828 0.00617 -0.00118 164 3PZ 0.05949 0.00631 -0.00617 0.02059 -0.00184 165 4XX -0.00148 0.00031 0.00118 -0.00184 0.00050 166 4YY -0.00513 0.00009 -0.00014 -0.00021 -0.00026 167 4ZZ 0.00135 0.00074 0.00093 -0.00229 -0.00004 168 4XY -0.00244 -0.00007 0.00244 0.00041 -0.00010 169 4XZ 0.00058 -0.00070 -0.00179 0.00023 -0.00005 170 4YZ 0.00257 -0.00036 -0.00155 0.00015 0.00000 171 21 C 1S 0.02100 0.00730 0.03520 -0.00645 0.00031 172 2S -0.05476 -0.01641 -0.07588 0.01410 -0.00092 173 2PX 0.02477 -0.03750 -0.08018 0.01331 -0.00985 174 2PY 0.03596 -0.04935 -0.13392 0.06656 -0.00249 175 2PZ -0.02662 0.01733 0.08587 -0.03962 0.00035 176 3S -0.13767 -0.00867 -0.05611 -0.00201 0.00126 177 3PX -0.01708 0.00189 -0.03033 0.02004 -0.00281 178 3PY -0.00629 -0.02070 -0.00873 0.03357 -0.00039 179 3PZ 0.01927 0.03707 0.03009 0.02610 0.00025 180 4XX -0.00774 0.01644 -0.00130 0.00819 0.00094 181 4YY 0.02322 -0.00750 0.00300 0.00988 -0.00058 182 4ZZ -0.00867 -0.00797 -0.00068 -0.01913 -0.00039 183 4XY 0.00751 0.00700 -0.01254 0.01068 0.00007 184 4XZ -0.00155 -0.00096 0.00776 0.00089 0.00035 185 4YZ -0.00926 0.01035 0.01359 0.00787 0.00048 186 22 H 1S -0.04561 -0.02836 0.00975 -0.06365 -0.00188 187 2S -0.02895 -0.07362 0.01834 -0.12020 -0.00272 188 23 H 1S -0.04014 0.05426 0.00601 0.03096 0.00638 189 2S -0.01081 0.08764 0.01562 0.06853 0.00588 151 152 153 154 155 151 4YY 0.00294 152 4ZZ -0.00023 0.00079 153 4XY -0.00030 0.00034 0.00161 154 4XZ 0.00005 -0.00011 0.00008 0.00045 155 4YZ 0.00015 0.00019 -0.00006 -0.00028 0.00151 156 20 O 1S 0.00035 -0.00024 -0.00079 -0.00022 0.00075 157 2S -0.00120 0.00068 0.00193 0.00068 -0.00177 158 2PX -0.00051 0.00158 -0.00037 -0.00132 -0.00019 159 2PY 0.00223 -0.00197 0.00332 0.00299 -0.00195 160 2PZ 0.00072 -0.00342 -0.00069 0.00072 -0.00060 161 3S -0.00513 0.00135 0.00244 0.00058 -0.00257 162 3PX 0.00009 0.00074 0.00007 -0.00070 0.00036 163 3PY 0.00014 -0.00093 0.00244 0.00179 -0.00155 164 3PZ -0.00021 -0.00229 -0.00041 0.00023 -0.00015 165 4XX -0.00026 -0.00004 0.00010 -0.00005 0.00000 166 4YY 0.00085 -0.00029 0.00011 0.00015 -0.00014 167 4ZZ -0.00029 0.00025 -0.00002 -0.00008 0.00004 168 4XY -0.00011 0.00002 -0.00029 0.00001 0.00012 169 4XZ 0.00015 -0.00008 -0.00001 0.00004 -0.00002 170 4YZ 0.00014 -0.00004 0.00012 0.00002 -0.00034 171 21 C 1S -0.00712 0.00033 -0.00305 0.00130 0.00368 172 2S 0.01322 -0.00064 0.00578 -0.00169 -0.00687 173 2PX 0.01104 0.00019 -0.00349 0.00297 -0.00514 174 2PY 0.01051 -0.00109 0.00263 -0.00092 -0.00522 175 2PZ -0.01121 0.00931 -0.00410 -0.00265 -0.00220 176 3S 0.00987 0.00118 0.00446 -0.00062 -0.00523 177 3PX 0.00396 0.00003 -0.00213 0.00170 -0.00267 178 3PY 0.00112 0.00049 0.00188 0.00024 -0.00254 179 3PZ -0.00408 0.00221 -0.00299 -0.00123 -0.00263 180 4XX -0.00003 -0.00048 -0.00079 -0.00011 -0.00001 181 4YY -0.00031 -0.00042 0.00054 0.00031 -0.00060 182 4ZZ 0.00013 0.00081 0.00004 -0.00027 0.00083 183 4XY 0.00082 -0.00036 -0.00052 -0.00012 -0.00065 184 4XZ -0.00098 0.00037 0.00029 -0.00004 -0.00020 185 4YZ -0.00102 0.00007 -0.00044 0.00032 -0.00038 186 22 H 1S 0.00010 0.00617 0.00032 -0.00216 -0.00169 187 2S -0.00145 0.00636 0.00176 -0.00178 0.00307 188 23 H 1S -0.00047 -0.00215 0.00191 -0.00194 -0.00018 189 2S -0.00281 -0.00286 -0.00179 -0.00098 -0.00080 156 157 158 159 160 156 20 O 1S 2.07557 157 2S -0.17799 0.50359 158 2PX 0.01250 -0.02848 0.64787 159 2PY 0.03973 -0.07465 0.02591 0.66558 160 2PZ -0.00479 0.00378 0.13784 -0.04097 0.71656 161 3S -0.24523 0.59251 -0.04937 -0.21999 0.05282 162 3PX 0.00937 -0.02092 0.40595 0.03492 0.15871 163 3PY 0.02573 -0.04921 0.03541 0.42233 -0.03763 164 3PZ -0.00454 0.00465 0.14600 -0.04614 0.46287 165 4XX -0.01520 -0.00285 0.01348 -0.00530 0.00322 166 4YY -0.01267 -0.00833 -0.00249 0.04105 -0.00244 167 4ZZ -0.01397 -0.00548 -0.00533 -0.00589 -0.00733 168 4XY 0.00150 -0.00344 0.02796 0.00807 0.00450 169 4XZ 0.00372 -0.00792 -0.00238 -0.00090 0.00742 170 4YZ -0.00139 0.00292 0.00402 -0.00308 0.02923 171 21 C 1S 0.00354 -0.00655 0.02524 -0.05976 -0.02421 172 2S -0.00182 0.00255 -0.05128 0.13128 0.04936 173 2PX -0.01530 0.03726 -0.05318 0.13986 0.05327 174 2PY 0.02797 -0.06677 0.12294 -0.21997 -0.13948 175 2PZ 0.01500 -0.03596 0.05822 -0.14514 -0.05257 176 3S 0.02924 -0.07391 -0.03116 0.09643 0.02268 177 3PX 0.00403 -0.00862 0.00237 0.05247 0.04081 178 3PY 0.00234 -0.00203 0.04752 -0.01939 -0.06253 179 3PZ -0.00333 0.00686 0.06071 -0.05201 0.03542 180 4XX 0.00248 -0.00539 0.02408 0.00103 0.00835 181 4YY -0.00615 0.01471 -0.01378 -0.00404 0.01596 182 4ZZ 0.00217 -0.00418 -0.00780 0.00108 -0.02692 183 4XY 0.00392 -0.00925 -0.00688 -0.01986 -0.01748 184 4XZ 0.00149 -0.00368 -0.00132 -0.01286 0.00135 185 4YZ -0.00458 0.01105 -0.01703 0.02150 -0.00889 186 22 H 1S 0.00889 -0.02015 -0.02511 -0.01453 -0.07387 187 2S 0.00532 -0.01017 -0.08181 -0.02793 -0.15908 188 23 H 1S 0.01026 -0.02489 0.06500 -0.01387 0.02894 189 2S 0.00569 -0.01480 0.11693 -0.03139 0.07574 161 162 163 164 165 161 3S 0.75619 162 3PX -0.03226 0.26575 163 3PY -0.14005 0.03229 0.26980 164 3PZ 0.04142 0.13779 -0.03454 0.30855 165 4XX -0.00420 0.00784 -0.00286 0.00301 0.00104 166 4YY -0.01835 -0.00029 0.02560 -0.00326 -0.00033 167 4ZZ -0.00646 -0.00401 -0.00371 -0.00473 0.00002 168 4XY -0.00490 0.01726 0.00593 0.00506 0.00037 169 4XZ -0.00741 -0.00077 -0.00087 0.00424 -0.00009 170 4YZ 0.00413 0.00508 -0.00252 0.01812 0.00023 171 21 C 1S 0.02100 0.00730 -0.03520 -0.00645 0.00031 172 2S -0.05476 -0.01641 0.07588 0.01410 -0.00092 173 2PX 0.02477 -0.03750 0.08018 0.01331 -0.00985 174 2PY -0.03596 0.04935 -0.13392 -0.06656 0.00249 175 2PZ -0.02662 0.01733 -0.08587 -0.03962 0.00035 176 3S -0.13767 -0.00867 0.05611 -0.00201 0.00126 177 3PX -0.01708 0.00189 0.03033 0.02004 -0.00281 178 3PY 0.00629 0.02070 -0.00873 -0.03357 0.00039 179 3PZ 0.01927 0.03707 -0.03009 0.02610 0.00025 180 4XX -0.00774 0.01644 0.00130 0.00819 0.00094 181 4YY 0.02322 -0.00750 -0.00300 0.00988 -0.00058 182 4ZZ -0.00867 -0.00797 0.00068 -0.01913 -0.00039 183 4XY -0.00751 -0.00700 -0.01254 -0.01068 -0.00007 184 4XZ -0.00155 -0.00096 -0.00776 0.00089 0.00035 185 4YZ 0.00926 -0.01035 0.01359 -0.00787 -0.00048 186 22 H 1S -0.04561 -0.02836 -0.00975 -0.06365 -0.00188 187 2S -0.02894 -0.07362 -0.01834 -0.12020 -0.00272 188 23 H 1S -0.04014 0.05426 -0.00601 0.03096 0.00638 189 2S -0.01081 0.08764 -0.01562 0.06853 0.00588 166 167 168 169 170 166 4YY 0.00294 167 4ZZ -0.00023 0.00079 168 4XY 0.00030 -0.00034 0.00161 169 4XZ 0.00005 -0.00011 -0.00008 0.00045 170 4YZ -0.00015 -0.00019 -0.00006 0.00028 0.00151 171 21 C 1S -0.00712 0.00033 0.00305 0.00130 -0.00368 172 2S 0.01322 -0.00064 -0.00578 -0.00169 0.00687 173 2PX 0.01104 0.00019 0.00349 0.00297 0.00514 174 2PY -0.01051 0.00109 0.00263 0.00092 -0.00522 175 2PZ -0.01121 0.00931 0.00410 -0.00265 0.00220 176 3S 0.00987 0.00118 -0.00446 -0.00062 0.00523 177 3PX 0.00396 0.00003 0.00213 0.00170 0.00267 178 3PY -0.00112 -0.00049 0.00188 -0.00024 -0.00254 179 3PZ -0.00408 0.00221 0.00299 -0.00123 0.00263 180 4XX -0.00003 -0.00048 0.00079 -0.00011 0.00001 181 4YY -0.00031 -0.00042 -0.00054 0.00031 0.00060 182 4ZZ 0.00013 0.00081 -0.00004 -0.00027 -0.00083 183 4XY -0.00082 0.00036 -0.00052 0.00012 -0.00065 184 4XZ -0.00098 0.00037 -0.00029 -0.00004 0.00020 185 4YZ 0.00102 -0.00007 -0.00044 -0.00032 -0.00038 186 22 H 1S 0.00010 0.00617 -0.00032 -0.00216 0.00169 187 2S -0.00145 0.00636 -0.00176 -0.00178 -0.00307 188 23 H 1S -0.00047 -0.00215 -0.00191 -0.00194 0.00018 189 2S -0.00281 -0.00286 0.00179 -0.00098 0.00080 171 172 173 174 175 171 21 C 1S 2.04980 172 2S -0.06512 0.34292 173 2PX 0.01455 -0.02588 0.42798 174 2PY 0.00000 0.00000 0.00000 0.29266 175 2PZ -0.01513 0.02463 0.04322 0.00000 0.42493 176 3S -0.14989 0.26013 -0.04460 0.00000 0.05588 177 3PX 0.00858 -0.01869 0.15537 0.00000 0.01403 178 3PY 0.00000 0.00000 0.00000 0.07097 0.00000 179 3PZ -0.01235 0.02302 0.00828 0.00000 0.14522 180 4XX -0.01781 0.00026 -0.02405 0.00000 -0.00914 181 4YY -0.01312 -0.01025 0.01563 0.00000 -0.01615 182 4ZZ -0.01764 -0.00043 0.01019 0.00000 0.02328 183 4XY 0.00000 0.00000 0.00000 0.02089 0.00000 184 4XZ -0.00060 0.00098 -0.01143 0.00000 0.01231 185 4YZ 0.00000 0.00000 0.00000 -0.02049 0.00000 186 22 H 1S -0.05992 0.12295 0.07202 0.00000 0.26778 187 2S -0.01152 0.03387 0.08267 0.00000 0.21793 188 23 H 1S -0.05970 0.12411 -0.27094 0.00000 -0.06535 189 2S -0.01230 0.03558 -0.21702 0.00000 -0.07301 176 177 178 179 180 176 3S 0.23350 177 3PX -0.01607 0.06205 178 3PY 0.00000 0.00000 0.02607 179 3PZ 0.02150 0.00376 0.00000 0.06494 180 4XX 0.00239 -0.00680 0.00000 0.00047 0.00335 181 4YY -0.01289 0.00513 0.00000 -0.00463 -0.00124 182 4ZZ 0.00320 0.00204 0.00000 0.00358 -0.00166 183 4XY 0.00000 0.00000 0.00389 0.00000 0.00000 184 4XZ 0.00368 -0.00378 0.00000 0.00399 0.00011 185 4YZ 0.00000 0.00000 -0.00288 0.00000 0.00000 186 22 H 1S 0.11638 0.01748 0.00000 0.08286 -0.01123 187 2S 0.04305 0.01689 0.00000 0.04493 -0.01622 188 23 H 1S 0.10661 -0.09598 0.00000 -0.00321 0.02033 189 2S 0.03008 -0.06958 0.00000 0.00206 0.02111 181 182 183 184 185 181 4YY 0.00343 182 4ZZ -0.00138 0.00350 183 4XY 0.00000 0.00000 0.00248 184 4XZ -0.00051 0.00014 0.00000 0.00106 185 4YZ 0.00000 0.00000 -0.00102 0.00000 0.00274 186 22 H 1S -0.01262 0.02042 0.00000 0.00573 0.00000 187 2S -0.00902 0.02416 0.00000 0.00381 0.00000 188 23 H 1S -0.01191 -0.01176 0.00000 0.00525 0.00000 189 2S -0.00689 -0.01530 0.00000 0.00339 0.00000 186 187 188 189 186 22 H 1S 0.22400 187 2S 0.18435 0.19868 188 23 H 1S -0.04299 -0.08901 0.22350 189 2S -0.08220 -0.12032 0.17400 0.16575 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05255 2 2S -0.01389 0.33288 3 2PX 0.00000 0.00000 0.34621 4 2PY 0.00000 0.00000 0.00000 0.43070 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.37881 6 3S -0.03170 0.22133 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.09508 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.07004 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.09296 10 4XX -0.00093 -0.00929 0.00000 0.00000 0.00000 11 4YY -0.00136 -0.00072 0.00000 0.00000 0.00000 12 4ZZ -0.00124 -0.00291 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 -0.00065 0.00000 -0.00287 0.00000 17 2S -0.00065 0.01384 0.00000 0.04297 0.00000 18 2PX 0.00000 0.00000 0.01640 0.00000 0.00000 19 2PY -0.00287 0.04297 0.00000 0.10300 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.01211 21 3S 0.00011 0.00956 0.00000 0.03203 0.00000 22 3PX 0.00000 0.00000 0.02165 0.00000 0.00000 23 3PY -0.00013 0.01037 0.00000 0.01886 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.01873 25 4XX 0.00000 -0.00061 0.00000 -0.00167 0.00000 26 4YY -0.00027 0.00367 0.00000 0.00315 0.00000 27 4ZZ 0.00000 -0.00064 0.00000 -0.00128 0.00000 28 4XY 0.00000 0.00000 0.00205 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 0.00234 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 33 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 34 2PY 0.00000 0.00000 0.00000 -0.00001 0.00000 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S 0.00000 -0.00008 0.00018 -0.00011 0.00003 37 3PX 0.00001 -0.00017 -0.00033 -0.00054 -0.00033 38 3PY 0.00000 -0.00005 0.00062 -0.00002 0.00023 39 3PZ 0.00000 -0.00007 0.00000 -0.00031 0.00000 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 -0.00003 0.00000 0.00000 49 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 0.00000 0.00003 -0.00037 0.00000 -0.00002 52 3PX 0.00002 -0.00038 -0.00238 0.00019 -0.00018 53 3PY 0.00000 -0.00004 -0.00037 -0.00001 -0.00002 54 3PZ 0.00000 -0.00003 -0.00012 0.00002 0.00015 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 -0.00002 0.00000 0.00000 63 2PX 0.00000 -0.00002 -0.00008 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 0.00001 -0.00029 0.00030 0.00000 -0.00001 67 3PX 0.00006 -0.00144 -0.00169 -0.00001 -0.00008 68 3PY 0.00000 0.00000 0.00000 -0.00003 0.00000 69 3PZ 0.00000 -0.00004 -0.00016 0.00000 0.00001 70 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00008 0.00003 -0.00002 0.00007 78 2PX 0.00000 0.00013 0.00204 0.00020 0.00111 79 2PY 0.00000 0.00001 0.00028 -0.00001 0.00010 80 2PZ 0.00000 0.00005 0.00071 0.00004 0.00022 81 3S 0.00004 0.00014 0.00061 0.00007 0.00128 82 3PX 0.00004 -0.00038 0.00777 0.00087 0.00549 83 3PY -0.00002 0.00039 0.00085 -0.00007 0.00059 84 3PZ -0.00005 0.00064 0.00475 0.00059 0.00007 85 4XX 0.00000 0.00003 0.00009 0.00003 0.00004 86 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00003 0.00000 0.00001 89 4XZ 0.00000 0.00002 0.00009 0.00002 0.00001 90 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 91 7 H 1S -0.00236 0.03822 0.00581 0.03853 0.05490 92 2S -0.00192 0.02241 0.00246 0.02221 0.03133 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00009 0.00001 -0.00001 97 10 H 1S 0.00000 0.00000 -0.00001 -0.00001 0.00000 98 2S 0.00001 -0.00009 -0.00061 -0.00045 -0.00017 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00001 0.00001 0.00004 0.00000 101 12 H 1S 0.00000 -0.00020 -0.00001 -0.00045 0.00000 102 2S 0.00024 -0.00382 -0.00027 -0.00595 -0.00030 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 105 2PX 0.00000 -0.00001 -0.00001 0.00000 -0.00002 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 -0.00001 -0.00003 0.00000 -0.00004 108 3S 0.00000 -0.00015 -0.00017 0.00000 -0.00002 109 3PX 0.00002 -0.00016 -0.00018 -0.00001 0.00018 110 3PY 0.00000 0.00000 0.00001 0.00003 0.00002 111 3PZ 0.00002 -0.00035 -0.00008 0.00000 -0.00037 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00001 0.00005 0.00000 0.00007 120 15 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 121 2S 0.00001 -0.00017 -0.00012 -0.00003 -0.00126 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 -0.00007 -0.00023 -0.00005 -0.00031 128 3PX 0.00000 0.00001 0.00009 -0.00002 0.00010 129 3PY 0.00000 0.00001 -0.00007 0.00001 -0.00016 130 3PZ 0.00000 -0.00004 -0.00029 0.00000 -0.00029 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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00002 -0.00001 0.00004 -0.00001 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00001 0.00000 0.00000 141 19 O 1S 0.00000 -0.00006 -0.00048 -0.00006 -0.00028 142 2S -0.00002 0.00104 0.00849 0.00171 0.00516 143 2PX -0.00024 0.01219 0.01590 0.00661 0.01963 144 2PY -0.00005 0.00218 0.00602 -0.00067 0.00301 145 2PZ -0.00011 0.00477 0.01887 0.00318 0.00253 146 3S 0.00061 -0.00734 0.01468 -0.00371 0.00746 147 3PX -0.00226 0.02342 0.01029 0.00756 0.02076 148 3PY -0.00071 0.00626 0.00942 -0.00375 0.00482 149 3PZ -0.00096 0.00742 0.01889 0.00399 -0.00207 150 4XX -0.00009 0.00127 -0.00098 0.00104 0.00161 151 4YY -0.00001 0.00012 0.00061 0.00000 0.00028 152 4ZZ -0.00001 0.00009 0.00030 0.00043 -0.00046 153 4XY -0.00008 0.00088 0.00084 0.00020 0.00115 154 4XZ -0.00015 0.00130 0.00070 0.00034 -0.00008 155 4YZ -0.00004 0.00036 0.00123 0.00018 0.00005 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 -0.00003 -0.00003 -0.00007 -0.00003 158 2PX 0.00000 -0.00005 0.00010 -0.00012 -0.00007 159 2PY 0.00000 -0.00016 -0.00010 -0.00034 -0.00004 160 2PZ 0.00000 0.00000 -0.00008 -0.00014 0.00002 161 3S -0.00001 -0.00015 -0.00043 0.00138 -0.00129 162 3PX 0.00004 -0.00104 0.00070 -0.00111 -0.00130 163 3PY 0.00011 -0.00329 -0.00122 -0.00346 -0.00068 164 3PZ -0.00001 0.00015 -0.00130 -0.00196 -0.00024 165 4XX 0.00000 0.00000 -0.00001 -0.00005 0.00002 166 4YY 0.00000 -0.00003 -0.00001 -0.00005 0.00001 167 4ZZ 0.00000 0.00000 0.00001 -0.00002 0.00000 168 4XY 0.00000 0.00002 0.00002 0.00012 -0.00001 169 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 170 4YZ 0.00000 0.00002 0.00002 0.00007 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 -0.00016 -0.00030 -0.00018 -0.00012 173 2PX 0.00000 -0.00038 -0.00036 -0.00014 -0.00041 174 2PY 0.00000 -0.00003 -0.00032 0.00000 -0.00029 175 2PZ 0.00000 -0.00024 -0.00061 -0.00016 -0.00003 176 3S 0.00009 -0.00098 -0.00291 -0.00149 -0.00044 177 3PX 0.00018 -0.00204 -0.00095 -0.00093 -0.00124 178 3PY 0.00001 -0.00026 -0.00173 -0.00001 -0.00153 179 3PZ 0.00012 -0.00154 -0.00360 -0.00101 0.00036 180 4XX 0.00000 0.00004 0.00011 -0.00001 0.00010 181 4YY 0.00000 -0.00002 -0.00006 0.00000 -0.00004 182 4ZZ 0.00000 0.00001 0.00007 -0.00001 0.00003 183 4XY 0.00000 0.00002 0.00000 0.00000 0.00004 184 4XZ 0.00000 0.00001 0.00009 0.00000 0.00004 185 4YZ 0.00000 0.00000 0.00004 0.00000 -0.00001 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00009 -0.00002 -0.00001 0.00051 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00017 0.00068 0.00002 0.00003 6 7 8 9 10 6 3S 0.30240 7 3PX 0.00000 0.10753 8 3PY 0.00000 0.00000 0.05313 9 3PZ 0.00000 0.00000 0.00000 0.09324 10 4XX -0.00699 0.00000 0.00000 0.00000 0.00284 11 4YY -0.00002 0.00000 0.00000 0.00000 -0.00027 12 4ZZ -0.00197 0.00000 0.00000 0.00000 -0.00019 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 0.00011 0.00000 -0.00013 0.00000 0.00000 17 2S 0.00956 0.00000 0.01037 0.00000 -0.00061 18 2PX 0.00000 0.02165 0.00000 0.00000 0.00000 19 2PY 0.03203 0.00000 0.01886 0.00000 -0.00167 20 2PZ 0.00000 0.00000 0.00000 0.01873 0.00000 21 3S -0.01174 0.00000 -0.00774 0.00000 -0.00101 22 3PX 0.00000 0.02493 0.00000 0.00000 0.00000 23 3PY -0.00774 0.00000 0.00238 0.00000 -0.00166 24 3PZ 0.00000 0.00000 0.00000 0.02709 0.00000 25 4XX -0.00101 0.00000 -0.00166 0.00000 0.00004 26 4YY 0.00361 0.00000 0.00143 0.00000 -0.00005 27 4ZZ -0.00207 0.00000 -0.00096 0.00000 0.00000 28 4XY 0.00000 0.00113 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 0.00113 0.00000 31 3 C 1S 0.00000 0.00001 -0.00001 0.00000 0.00000 32 2S -0.00020 -0.00047 0.00003 -0.00022 0.00000 33 2PX -0.00015 -0.00029 -0.00009 -0.00033 0.00000 34 2PY -0.00051 -0.00024 -0.00035 -0.00015 0.00000 35 2PZ 0.00013 -0.00025 0.00017 0.00000 0.00000 36 3S -0.00008 0.00010 -0.00080 0.00043 0.00001 37 3PX -0.00065 -0.00161 0.00022 -0.00177 -0.00002 38 3PY -0.00001 0.00159 -0.00060 0.00093 0.00002 39 3PZ 0.00038 -0.00078 -0.00008 -0.00006 -0.00001 40 4XX 0.00004 0.00010 -0.00008 0.00007 0.00000 41 4YY 0.00002 -0.00002 0.00003 -0.00001 0.00000 42 4ZZ -0.00002 -0.00004 0.00001 -0.00002 0.00000 43 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 44 4XZ 0.00001 0.00001 -0.00001 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S -0.00005 -0.00017 -0.00002 0.00000 0.00000 48 2PX -0.00055 -0.00188 0.00051 -0.00014 0.00000 49 2PY -0.00007 -0.00021 0.00001 -0.00002 0.00000 50 2PZ -0.00003 -0.00012 0.00004 0.00020 0.00000 51 3S -0.00076 -0.00191 -0.00001 -0.00021 -0.00001 52 3PX -0.00413 -0.00957 0.00282 -0.00096 -0.00001 53 3PY -0.00081 -0.00165 0.00000 -0.00014 -0.00001 54 3PZ -0.00023 -0.00061 0.00017 0.00122 0.00000 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 -0.00001 0.00001 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY -0.00001 0.00001 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 0.00001 0.00004 0.00000 0.00000 0.00000 62 2S -0.00022 -0.00065 0.00000 -0.00006 0.00000 63 2PX -0.00141 -0.00046 -0.00001 -0.00019 0.00001 64 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 65 2PZ -0.00006 0.00001 0.00000 -0.00011 0.00000 66 3S -0.00022 0.00035 0.00000 0.00006 -0.00004 67 3PX -0.00787 -0.00258 -0.00002 -0.00044 0.00027 68 3PY 0.00001 0.00001 -0.00005 0.00000 0.00000 69 3PZ -0.00039 -0.00020 0.00000 0.00051 0.00003 70 4XX 0.00005 0.00034 0.00000 0.00003 0.00000 71 4YY -0.00002 -0.00007 0.00000 0.00000 0.00000 72 4ZZ 0.00000 -0.00009 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00002 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 0.00016 0.00003 0.00000 0.00004 0.00000 77 2S -0.00065 -0.00039 -0.00033 0.00025 0.00003 78 2PX 0.00234 0.00813 0.00105 0.00632 0.00012 79 2PY 0.00090 0.00149 0.00026 0.00056 0.00002 80 2PZ -0.00066 0.00512 0.00060 0.00003 0.00006 81 3S 0.00126 0.00341 0.00015 0.00207 0.00056 82 3PX 0.00244 0.01262 0.00214 0.01154 0.00070 83 3PY 0.00172 0.00220 -0.00001 0.00088 0.00021 84 3PZ 0.00107 0.01182 0.00151 -0.00216 0.00048 85 4XX 0.00037 0.00046 0.00013 0.00026 -0.00001 86 4YY -0.00017 -0.00022 0.00000 -0.00007 0.00000 87 4ZZ -0.00001 0.00002 -0.00004 -0.00001 0.00000 88 4XY 0.00003 0.00005 0.00000 0.00005 0.00000 89 4XZ 0.00009 0.00022 0.00006 0.00001 0.00000 90 4YZ 0.00000 0.00004 0.00000 0.00000 0.00000 91 7 H 1S 0.05282 0.00177 0.01252 0.02525 -0.00145 92 2S 0.03771 -0.00039 0.01030 0.02356 -0.00256 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S -0.00007 -0.00003 -0.00001 0.00004 0.00000 95 9 H 1S 0.00001 0.00001 0.00000 -0.00002 0.00000 96 2S 0.00027 0.00048 0.00001 -0.00021 0.00000 97 10 H 1S -0.00055 -0.00060 0.00020 -0.00018 0.00000 98 2S -0.00323 -0.00284 0.00072 -0.00110 -0.00002 99 11 H 1S 0.00001 -0.00001 0.00003 0.00000 0.00000 100 2S 0.00040 0.00008 0.00046 0.00007 0.00000 101 12 H 1S -0.00418 0.00003 -0.00397 -0.00012 0.00000 102 2S -0.01562 -0.00006 -0.00811 0.00007 0.00023 103 13 C 1S 0.00001 0.00002 0.00000 0.00004 0.00000 104 2S -0.00003 -0.00065 -0.00002 -0.00040 0.00000 105 2PX -0.00003 -0.00038 -0.00001 -0.00034 0.00000 106 2PY -0.00001 0.00000 -0.00002 0.00000 0.00000 107 2PZ 0.00044 -0.00139 -0.00005 -0.00007 0.00000 108 3S 0.00071 -0.00064 -0.00007 0.00100 0.00004 109 3PX -0.00008 -0.00045 -0.00004 -0.00007 0.00004 110 3PY 0.00000 0.00004 -0.00002 0.00005 0.00000 111 3PZ 0.00096 -0.00201 -0.00009 0.00026 -0.00011 112 4XX 0.00000 -0.00002 0.00000 -0.00006 0.00000 113 4YY -0.00002 -0.00004 0.00000 -0.00006 0.00000 114 4ZZ 0.00004 0.00017 0.00000 0.00016 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00002 0.00009 0.00000 0.00014 0.00000 117 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 118 14 H 1S 0.00000 0.00004 0.00000 0.00002 0.00000 119 2S 0.00004 0.00100 0.00008 0.00076 0.00000 120 15 H 1S -0.00007 -0.00022 -0.00006 -0.00067 0.00000 121 2S -0.00144 -0.00106 -0.00020 -0.00525 -0.00007 122 16 C 1S 0.00000 0.00001 0.00000 0.00001 0.00000 123 2S -0.00017 -0.00011 -0.00002 -0.00033 0.00000 124 2PX 0.00000 0.00007 -0.00009 0.00003 0.00000 125 2PY -0.00002 -0.00012 0.00002 -0.00001 0.00000 126 2PZ -0.00038 -0.00016 -0.00014 -0.00046 0.00000 127 3S -0.00190 -0.00155 -0.00028 -0.00263 -0.00001 128 3PX 0.00017 0.00026 -0.00044 0.00062 0.00000 129 3PY -0.00011 -0.00060 0.00001 -0.00038 0.00000 130 3PZ -0.00170 -0.00095 -0.00014 -0.00168 0.00000 131 4XX 0.00001 0.00001 0.00000 0.00002 0.00000 132 4YY 0.00000 -0.00001 0.00001 -0.00001 0.00000 133 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00001 0.00000 0.00000 0.00001 0.00000 136 4YZ 0.00001 0.00000 0.00000 0.00001 0.00000 137 17 H 1S 0.00000 0.00002 -0.00004 0.00001 0.00000 138 2S 0.00028 0.00011 0.00013 0.00001 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00012 0.00003 0.00003 0.00015 0.00000 141 19 O 1S 0.00128 0.00012 -0.00024 0.00040 -0.00006 142 2S -0.01942 -0.00292 0.00273 -0.00508 0.00138 143 2PX 0.00361 0.00058 0.00087 0.00354 -0.00096 144 2PY 0.00274 -0.00034 0.00415 0.00004 0.00096 145 2PZ 0.00548 0.00691 0.00111 -0.00136 0.00397 146 3S -0.06779 -0.00105 0.00117 -0.01270 0.00244 147 3PX 0.00144 -0.00163 0.00035 0.00188 -0.00195 148 3PY 0.00726 -0.00035 0.01063 0.00017 0.00147 149 3PZ 0.01220 0.00729 0.00218 -0.00724 0.00627 150 4XX 0.00209 -0.00128 0.00059 0.00141 -0.00007 151 4YY 0.00064 0.00000 -0.00021 0.00012 0.00010 152 4ZZ 0.00073 0.00114 0.00015 -0.00059 -0.00001 153 4XY 0.00019 0.00001 0.00021 0.00007 -0.00005 154 4XZ 0.00037 0.00001 0.00003 0.00008 0.00003 155 4YZ 0.00012 0.00021 0.00012 0.00001 0.00016 156 20 O 1S -0.00011 0.00000 -0.00014 0.00000 0.00000 157 2S 0.00175 -0.00001 0.00149 0.00019 0.00000 158 2PX -0.00098 0.00024 0.00014 -0.00032 0.00000 159 2PY -0.00391 0.00057 -0.00410 0.00089 0.00000 160 2PZ 0.00032 -0.00091 -0.00146 -0.00037 0.00000 161 3S 0.01002 0.00118 0.01200 -0.00278 -0.00009 162 3PX -0.00459 -0.00122 0.00131 -0.00172 -0.00002 163 3PY -0.01561 0.00190 -0.00972 0.00219 -0.00010 164 3PZ 0.00201 -0.00340 -0.00488 -0.00289 0.00004 165 4XX 0.00008 -0.00011 -0.00029 0.00020 0.00000 166 4YY -0.00056 -0.00001 -0.00055 0.00016 0.00000 167 4ZZ -0.00011 0.00004 -0.00014 -0.00003 0.00000 168 4XY -0.00004 0.00001 0.00009 -0.00001 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00002 0.00002 0.00002 0.00000 0.00000 171 21 C 1S 0.00006 0.00014 0.00007 0.00002 0.00000 172 2S -0.00090 -0.00168 -0.00102 0.00026 0.00001 173 2PX -0.00264 -0.00116 -0.00012 -0.00122 0.00005 174 2PY 0.00040 -0.00157 -0.00078 -0.00112 0.00000 175 2PZ -0.00187 -0.00288 -0.00017 0.00021 0.00004 176 3S 0.00149 -0.00489 -0.00286 0.00277 -0.00004 177 3PX -0.00468 -0.00073 -0.00046 -0.00117 -0.00001 178 3PY 0.00071 -0.00141 -0.00035 -0.00109 -0.00017 179 3PZ -0.00045 -0.00620 -0.00134 0.00048 0.00044 180 4XX 0.00003 0.00036 0.00003 0.00020 -0.00001 181 4YY -0.00023 -0.00041 0.00006 -0.00032 0.00000 182 4ZZ 0.00025 0.00021 -0.00012 0.00017 0.00001 183 4XY 0.00002 -0.00009 -0.00004 -0.00003 0.00000 184 4XZ -0.00010 0.00005 0.00002 0.00001 0.00001 185 4YZ 0.00000 0.00002 -0.00005 -0.00004 0.00001 186 22 H 1S 0.00021 0.00010 -0.00008 0.00018 0.00000 187 2S 0.00239 -0.00041 -0.00054 0.00259 0.00009 188 23 H 1S 0.00006 0.00030 0.00000 0.00004 0.00000 189 2S -0.00031 0.00313 0.00032 -0.00042 -0.00009 11 12 13 14 15 11 4YY 0.00124 12 4ZZ -0.00008 0.00166 13 4XY 0.00000 0.00000 0.00146 14 4XZ 0.00000 0.00000 0.00000 0.00147 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00192 16 2 C 1S -0.00027 0.00000 0.00000 0.00000 0.00000 17 2S 0.00367 -0.00064 0.00000 0.00000 0.00000 18 2PX 0.00000 0.00000 0.00205 0.00000 0.00000 19 2PY 0.00315 -0.00128 0.00000 0.00000 0.00000 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.00234 21 3S 0.00361 -0.00207 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.00113 0.00000 0.00000 23 3PY 0.00143 -0.00096 0.00000 0.00000 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.00113 25 4XX -0.00005 0.00000 0.00000 0.00000 0.00000 26 4YY -0.00005 -0.00004 0.00000 0.00000 0.00000 27 4ZZ -0.00004 0.00005 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 -0.00018 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 0.00000 0.00000 0.00000 0.00000 33 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 34 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 3S 0.00001 -0.00001 0.00001 0.00000 0.00001 37 3PX 0.00000 0.00001 0.00007 -0.00002 0.00005 38 3PY 0.00001 -0.00002 0.00002 0.00001 0.00001 39 3PZ 0.00000 0.00000 0.00004 0.00000 0.00000 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00000 0.00000 0.00000 0.00000 48 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 49 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 0.00000 0.00001 0.00000 0.00000 0.00000 52 3PX -0.00001 0.00003 -0.00001 -0.00001 0.00000 53 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.00001 0.00001 0.00000 0.00000 0.00000 67 3PX -0.00003 -0.00001 0.00000 0.00002 0.00000 68 3PY 0.00000 0.00000 -0.00002 0.00000 0.00000 69 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00001 0.00002 0.00001 78 2PX -0.00001 -0.00003 0.00002 0.00007 0.00001 79 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 80 2PZ 0.00000 -0.00001 0.00001 0.00001 0.00000 81 3S -0.00011 -0.00023 -0.00001 0.00006 0.00000 82 3PX -0.00015 -0.00026 0.00006 0.00018 0.00007 83 3PY -0.00003 -0.00012 0.00004 0.00002 0.00001 84 3PZ -0.00009 -0.00012 0.00003 0.00001 0.00000 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S -0.00033 0.00234 0.00041 0.00023 0.00377 92 2S -0.00044 0.00314 0.00010 0.00003 0.00064 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 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00005 -0.00001 0.00000 0.00000 0.00001 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 0.00001 0.00000 0.00000 0.00000 0.00004 102 2S -0.00027 0.00027 0.00001 0.00001 0.00022 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S -0.00002 0.00001 0.00000 0.00002 0.00000 109 3PX -0.00001 -0.00003 0.00000 0.00000 0.00000 110 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 111 3PZ 0.00000 0.00015 0.00000 0.00002 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 121 2S 0.00002 0.00011 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 0.00002 0.00000 -0.00001 0.00000 128 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 129 3PY 0.00000 0.00000 0.00000 0.00000 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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 0.00000 0.00000 141 19 O 1S 0.00001 0.00000 -0.00005 -0.00008 -0.00003 142 2S -0.00019 0.00007 0.00089 0.00157 0.00056 143 2PX -0.00048 0.00157 0.00038 0.00289 0.00116 144 2PY 0.00017 0.00023 0.00025 0.00116 0.00016 145 2PZ -0.00031 -0.00055 0.00125 0.00026 -0.00003 146 3S -0.00007 -0.00012 0.00096 0.00101 0.00085 147 3PX -0.00143 0.00390 0.00001 0.00088 0.00070 148 3PY -0.00054 0.00045 0.00071 0.00077 0.00045 149 3PZ -0.00099 -0.00197 0.00073 -0.00001 0.00002 150 4XX -0.00001 0.00008 0.00004 0.00005 -0.00001 151 4YY -0.00004 0.00002 0.00002 0.00009 0.00001 152 4ZZ 0.00001 -0.00001 0.00000 -0.00002 -0.00001 153 4XY 0.00001 0.00004 0.00000 0.00013 -0.00003 154 4XZ -0.00003 -0.00001 0.00003 0.00005 0.00000 155 4YZ 0.00000 -0.00003 -0.00002 0.00001 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00001 0.00000 0.00001 0.00000 0.00001 159 2PY 0.00002 0.00000 0.00001 0.00000 0.00001 160 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 161 3S 0.00013 0.00004 0.00003 -0.00003 0.00000 162 3PX 0.00012 0.00008 0.00007 0.00000 0.00007 163 3PY 0.00036 0.00002 0.00013 -0.00004 0.00009 164 3PZ 0.00004 -0.00004 0.00004 0.00000 -0.00001 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00001 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S -0.00001 0.00002 0.00002 0.00001 0.00002 173 2PX -0.00002 0.00006 0.00004 0.00006 0.00004 174 2PY 0.00000 0.00003 0.00000 0.00000 0.00000 175 2PZ -0.00002 0.00003 0.00004 0.00005 0.00002 176 3S -0.00010 0.00015 0.00005 -0.00005 0.00008 177 3PX -0.00015 0.00042 0.00005 0.00006 0.00006 178 3PY 0.00003 0.00009 -0.00007 -0.00006 -0.00006 179 3PZ -0.00013 -0.00008 0.00002 -0.00001 0.00004 180 4XX 0.00000 0.00001 0.00000 0.00001 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00001 0.00000 0.00001 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 -0.00016 -0.00001 -0.00003 0.00001 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00001 0.00003 0.00000 0.00001 -0.00001 16 17 18 19 20 16 2 C 1S 2.05255 17 2S -0.01389 0.33288 18 2PX 0.00000 0.00000 0.34621 19 2PY 0.00000 0.00000 0.00000 0.43070 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.37881 21 3S -0.03170 0.22133 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.09508 0.00000 0.00000 23 3PY 0.00000 0.00000 0.00000 0.07004 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.09296 25 4XX -0.00093 -0.00929 0.00000 0.00000 0.00000 26 4YY -0.00136 -0.00072 0.00000 0.00000 0.00000 27 4ZZ -0.00124 -0.00291 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 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00008 0.00003 -0.00002 0.00007 33 2PX 0.00000 0.00013 0.00204 0.00020 0.00111 34 2PY 0.00000 0.00001 0.00028 -0.00001 0.00010 35 2PZ 0.00000 0.00005 0.00071 0.00004 0.00022 36 3S 0.00004 0.00014 0.00061 0.00007 0.00128 37 3PX 0.00004 -0.00038 0.00777 0.00087 0.00549 38 3PY -0.00002 0.00039 0.00085 -0.00007 0.00059 39 3PZ -0.00005 0.00064 0.00475 0.00059 0.00007 40 4XX 0.00000 0.00003 0.00009 0.00003 0.00004 41 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00003 0.00000 0.00001 44 4XZ 0.00000 0.00002 0.00009 0.00002 0.00001 45 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 48 2PX 0.00000 -0.00002 -0.00008 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 0.00001 -0.00029 0.00030 0.00000 -0.00001 52 3PX 0.00006 -0.00144 -0.00169 -0.00001 -0.00008 53 3PY 0.00000 0.00000 0.00000 -0.00003 0.00000 54 3PZ 0.00000 -0.00004 -0.00016 0.00000 0.00001 55 4XX 0.00000 0.00000 0.00001 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 -0.00003 0.00000 0.00000 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.00000 0.00003 -0.00037 0.00000 -0.00002 67 3PX 0.00002 -0.00038 -0.00238 0.00019 -0.00018 68 3PY 0.00000 -0.00004 -0.00037 -0.00001 -0.00002 69 3PZ 0.00000 -0.00003 -0.00012 0.00002 0.00015 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 -0.00001 0.00000 0.00000 78 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 79 2PY 0.00000 0.00000 0.00000 -0.00001 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.00000 -0.00008 0.00018 -0.00011 0.00003 82 3PX 0.00001 -0.00017 -0.00033 -0.00054 -0.00033 83 3PY 0.00000 -0.00005 0.00062 -0.00002 0.00023 84 3PZ 0.00000 -0.00007 0.00000 -0.00031 0.00000 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 -0.00020 -0.00001 -0.00045 0.00000 92 2S 0.00024 -0.00382 -0.00027 -0.00595 -0.00030 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00009 0.00001 -0.00001 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00001 0.00001 0.00004 0.00000 99 11 H 1S 0.00000 0.00000 -0.00001 -0.00001 0.00000 100 2S 0.00001 -0.00009 -0.00061 -0.00045 -0.00017 101 12 H 1S -0.00236 0.03822 0.00581 0.03853 0.05490 102 2S -0.00192 0.02241 0.00246 0.02221 0.03133 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 -0.00007 -0.00023 -0.00005 -0.00031 109 3PX 0.00000 0.00001 0.00009 -0.00002 0.00010 110 3PY 0.00000 0.00001 -0.00007 0.00001 -0.00016 111 3PZ 0.00000 -0.00004 -0.00029 0.00000 -0.00029 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00001 0.00000 0.00000 120 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 121 2S 0.00000 0.00002 -0.00001 0.00004 -0.00001 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 124 2PX 0.00000 -0.00001 -0.00001 0.00000 -0.00002 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 -0.00001 -0.00003 0.00000 -0.00004 127 3S 0.00000 -0.00015 -0.00017 0.00000 -0.00002 128 3PX 0.00002 -0.00016 -0.00018 -0.00001 0.00018 129 3PY 0.00000 0.00000 0.00001 0.00003 0.00002 130 3PZ 0.00002 -0.00035 -0.00008 0.00000 -0.00037 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 0.00001 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 138 2S 0.00001 -0.00017 -0.00012 -0.00003 -0.00126 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00001 0.00005 0.00000 0.00007 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 -0.00003 -0.00003 -0.00007 -0.00003 143 2PX 0.00000 -0.00005 0.00010 -0.00012 -0.00007 144 2PY 0.00000 -0.00016 -0.00010 -0.00034 -0.00004 145 2PZ 0.00000 0.00000 -0.00008 -0.00014 0.00002 146 3S -0.00001 -0.00015 -0.00043 0.00138 -0.00129 147 3PX 0.00004 -0.00104 0.00070 -0.00111 -0.00130 148 3PY 0.00011 -0.00329 -0.00122 -0.00346 -0.00068 149 3PZ -0.00001 0.00015 -0.00130 -0.00196 -0.00024 150 4XX 0.00000 0.00000 -0.00001 -0.00005 0.00002 151 4YY 0.00000 -0.00003 -0.00001 -0.00005 0.00001 152 4ZZ 0.00000 0.00000 0.00001 -0.00002 0.00000 153 4XY 0.00000 0.00002 0.00002 0.00012 -0.00001 154 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 155 4YZ 0.00000 0.00002 0.00002 0.00007 0.00000 156 20 O 1S 0.00000 -0.00006 -0.00048 -0.00006 -0.00028 157 2S -0.00002 0.00104 0.00849 0.00171 0.00516 158 2PX -0.00024 0.01219 0.01590 0.00661 0.01963 159 2PY -0.00005 0.00218 0.00602 -0.00067 0.00301 160 2PZ -0.00011 0.00477 0.01887 0.00318 0.00253 161 3S 0.00061 -0.00734 0.01468 -0.00371 0.00746 162 3PX -0.00226 0.02342 0.01029 0.00755 0.02076 163 3PY -0.00071 0.00626 0.00942 -0.00375 0.00482 164 3PZ -0.00096 0.00742 0.01889 0.00399 -0.00207 165 4XX -0.00009 0.00127 -0.00098 0.00104 0.00161 166 4YY -0.00001 0.00012 0.00061 0.00000 0.00028 167 4ZZ -0.00001 0.00009 0.00030 0.00043 -0.00046 168 4XY -0.00008 0.00088 0.00084 0.00020 0.00115 169 4XZ -0.00015 0.00130 0.00070 0.00034 -0.00008 170 4YZ -0.00004 0.00036 0.00123 0.00018 0.00005 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 -0.00016 -0.00030 -0.00018 -0.00012 173 2PX 0.00000 -0.00038 -0.00036 -0.00014 -0.00041 174 2PY 0.00000 -0.00003 -0.00032 0.00000 -0.00029 175 2PZ 0.00000 -0.00024 -0.00061 -0.00016 -0.00003 176 3S 0.00009 -0.00098 -0.00291 -0.00149 -0.00044 177 3PX 0.00018 -0.00204 -0.00095 -0.00093 -0.00124 178 3PY 0.00001 -0.00026 -0.00173 -0.00001 -0.00153 179 3PZ 0.00012 -0.00154 -0.00360 -0.00101 0.00036 180 4XX 0.00000 0.00004 0.00011 -0.00001 0.00010 181 4YY 0.00000 -0.00002 -0.00006 0.00000 -0.00004 182 4ZZ 0.00000 0.00001 0.00007 -0.00001 0.00003 183 4XY 0.00000 0.00002 0.00000 0.00000 0.00004 184 4XZ 0.00000 0.00001 0.00009 0.00000 0.00004 185 4YZ 0.00000 0.00000 0.00004 0.00000 -0.00001 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00009 -0.00002 -0.00001 0.00051 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00017 0.00068 0.00002 0.00003 21 22 23 24 25 21 3S 0.30240 22 3PX 0.00000 0.10753 23 3PY 0.00000 0.00000 0.05313 24 3PZ 0.00000 0.00000 0.00000 0.09324 25 4XX -0.00699 0.00000 0.00000 0.00000 0.00284 26 4YY -0.00002 0.00000 0.00000 0.00000 -0.00027 27 4ZZ -0.00197 0.00000 0.00000 0.00000 -0.00019 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 0.00016 0.00003 0.00000 0.00004 0.00000 32 2S -0.00065 -0.00039 -0.00033 0.00025 0.00003 33 2PX 0.00234 0.00813 0.00105 0.00632 0.00012 34 2PY 0.00090 0.00149 0.00026 0.00056 0.00002 35 2PZ -0.00066 0.00512 0.00060 0.00003 0.00006 36 3S 0.00126 0.00341 0.00015 0.00207 0.00056 37 3PX 0.00244 0.01262 0.00214 0.01154 0.00070 38 3PY 0.00172 0.00220 -0.00001 0.00088 0.00021 39 3PZ 0.00107 0.01182 0.00151 -0.00216 0.00048 40 4XX 0.00037 0.00046 0.00013 0.00026 -0.00001 41 4YY -0.00017 -0.00022 0.00000 -0.00007 0.00000 42 4ZZ -0.00001 0.00002 -0.00004 -0.00001 0.00000 43 4XY 0.00003 0.00005 0.00000 0.00005 0.00000 44 4XZ 0.00009 0.00022 0.00006 0.00001 0.00000 45 4YZ 0.00000 0.00004 0.00000 0.00000 0.00000 46 4 C 1S 0.00001 0.00004 0.00000 0.00000 0.00000 47 2S -0.00022 -0.00065 0.00000 -0.00006 0.00000 48 2PX -0.00141 -0.00046 -0.00001 -0.00019 0.00001 49 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 50 2PZ -0.00006 0.00001 0.00000 -0.00011 0.00000 51 3S -0.00022 0.00035 0.00000 0.00006 -0.00004 52 3PX -0.00787 -0.00258 -0.00002 -0.00044 0.00027 53 3PY 0.00001 0.00001 -0.00005 0.00000 0.00000 54 3PZ -0.00039 -0.00020 0.00000 0.00051 0.00003 55 4XX 0.00005 0.00034 0.00000 0.00003 0.00000 56 4YY -0.00002 -0.00007 0.00000 0.00000 0.00000 57 4ZZ 0.00000 -0.00009 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00002 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 -0.00005 -0.00017 -0.00002 0.00000 0.00000 63 2PX -0.00055 -0.00188 0.00051 -0.00014 0.00000 64 2PY -0.00007 -0.00021 0.00001 -0.00002 0.00000 65 2PZ -0.00003 -0.00012 0.00004 0.00020 0.00000 66 3S -0.00076 -0.00191 -0.00001 -0.00021 -0.00001 67 3PX -0.00413 -0.00957 0.00282 -0.00096 -0.00001 68 3PY -0.00081 -0.00165 0.00000 -0.00014 -0.00001 69 3PZ -0.00023 -0.00061 0.00017 0.00122 0.00000 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 -0.00001 0.00001 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY -0.00001 0.00001 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 0.00001 -0.00001 0.00000 0.00000 77 2S -0.00020 -0.00047 0.00003 -0.00022 0.00000 78 2PX -0.00015 -0.00029 -0.00009 -0.00033 0.00000 79 2PY -0.00051 -0.00024 -0.00035 -0.00015 0.00000 80 2PZ 0.00013 -0.00025 0.00017 0.00000 0.00000 81 3S -0.00008 0.00010 -0.00080 0.00043 0.00001 82 3PX -0.00065 -0.00161 0.00022 -0.00177 -0.00002 83 3PY -0.00001 0.00159 -0.00060 0.00093 0.00002 84 3PZ 0.00038 -0.00078 -0.00008 -0.00006 -0.00001 85 4XX 0.00004 0.00010 -0.00008 0.00007 0.00000 86 4YY 0.00002 -0.00002 0.00003 -0.00001 0.00000 87 4ZZ -0.00002 -0.00004 0.00001 -0.00002 0.00000 88 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 89 4XZ 0.00001 0.00001 -0.00001 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S -0.00418 0.00003 -0.00397 -0.00012 0.00000 92 2S -0.01562 -0.00006 -0.00811 0.00007 0.00023 93 8 H 1S 0.00001 0.00001 0.00000 -0.00002 0.00000 94 2S 0.00027 0.00048 0.00001 -0.00021 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S -0.00007 -0.00003 -0.00001 0.00004 0.00000 97 10 H 1S 0.00001 -0.00001 0.00003 0.00000 0.00000 98 2S 0.00040 0.00008 0.00046 0.00007 0.00000 99 11 H 1S -0.00055 -0.00060 0.00020 -0.00018 0.00000 100 2S -0.00323 -0.00284 0.00072 -0.00110 -0.00002 101 12 H 1S 0.05282 0.00177 0.01252 0.02525 -0.00145 102 2S 0.03771 -0.00039 0.01030 0.02356 -0.00256 103 13 C 1S 0.00000 0.00001 0.00000 0.00001 0.00000 104 2S -0.00017 -0.00011 -0.00002 -0.00033 0.00000 105 2PX 0.00000 0.00007 -0.00009 0.00003 0.00000 106 2PY -0.00002 -0.00012 0.00002 -0.00001 0.00000 107 2PZ -0.00038 -0.00016 -0.00014 -0.00046 0.00000 108 3S -0.00190 -0.00155 -0.00028 -0.00263 -0.00001 109 3PX 0.00017 0.00026 -0.00044 0.00062 0.00000 110 3PY -0.00011 -0.00060 0.00001 -0.00038 0.00000 111 3PZ -0.00170 -0.00095 -0.00014 -0.00168 0.00000 112 4XX 0.00001 0.00001 0.00000 0.00002 0.00000 113 4YY 0.00000 -0.00001 0.00001 -0.00001 0.00000 114 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00001 0.00000 0.00000 0.00001 0.00000 117 4YZ 0.00001 0.00000 0.00000 0.00001 0.00000 118 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00012 0.00003 0.00003 0.00015 0.00000 120 15 H 1S 0.00000 0.00002 -0.00004 0.00001 0.00000 121 2S 0.00028 0.00011 0.00013 0.00001 0.00000 122 16 C 1S 0.00001 0.00002 0.00000 0.00004 0.00000 123 2S -0.00003 -0.00065 -0.00002 -0.00040 0.00000 124 2PX -0.00003 -0.00038 -0.00001 -0.00034 0.00000 125 2PY -0.00001 0.00000 -0.00002 0.00000 0.00000 126 2PZ 0.00044 -0.00139 -0.00005 -0.00007 0.00000 127 3S 0.00071 -0.00064 -0.00007 0.00100 0.00004 128 3PX -0.00008 -0.00045 -0.00004 -0.00007 0.00004 129 3PY 0.00000 0.00004 -0.00002 0.00005 0.00000 130 3PZ 0.00096 -0.00201 -0.00009 0.00026 -0.00011 131 4XX 0.00000 -0.00002 0.00000 -0.00006 0.00000 132 4YY -0.00002 -0.00004 0.00000 -0.00006 0.00000 133 4ZZ 0.00004 0.00017 0.00000 0.00016 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00002 0.00009 0.00000 0.00014 0.00000 136 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 137 17 H 1S -0.00007 -0.00022 -0.00006 -0.00067 0.00000 138 2S -0.00144 -0.00106 -0.00020 -0.00525 -0.00007 139 18 H 1S 0.00000 0.00004 0.00000 0.00002 0.00000 140 2S 0.00004 0.00100 0.00008 0.00076 0.00000 141 19 O 1S -0.00011 0.00000 -0.00014 0.00000 0.00000 142 2S 0.00175 -0.00001 0.00149 0.00019 0.00000 143 2PX -0.00098 0.00024 0.00014 -0.00032 0.00000 144 2PY -0.00391 0.00057 -0.00410 0.00089 0.00000 145 2PZ 0.00032 -0.00091 -0.00146 -0.00037 0.00000 146 3S 0.01002 0.00118 0.01200 -0.00278 -0.00009 147 3PX -0.00459 -0.00122 0.00131 -0.00172 -0.00002 148 3PY -0.01561 0.00190 -0.00972 0.00219 -0.00010 149 3PZ 0.00201 -0.00340 -0.00488 -0.00289 0.00004 150 4XX 0.00008 -0.00011 -0.00029 0.00020 0.00000 151 4YY -0.00056 -0.00001 -0.00055 0.00016 0.00000 152 4ZZ -0.00011 0.00004 -0.00014 -0.00003 0.00000 153 4XY -0.00004 0.00001 0.00009 -0.00001 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00002 0.00002 0.00002 0.00000 0.00000 156 20 O 1S 0.00128 0.00012 -0.00024 0.00040 -0.00006 157 2S -0.01942 -0.00292 0.00273 -0.00508 0.00138 158 2PX 0.00361 0.00058 0.00087 0.00354 -0.00096 159 2PY 0.00274 -0.00034 0.00415 0.00004 0.00096 160 2PZ 0.00548 0.00691 0.00111 -0.00136 0.00397 161 3S -0.06779 -0.00105 0.00117 -0.01270 0.00244 162 3PX 0.00144 -0.00163 0.00035 0.00188 -0.00195 163 3PY 0.00726 -0.00035 0.01063 0.00017 0.00147 164 3PZ 0.01220 0.00729 0.00218 -0.00724 0.00627 165 4XX 0.00209 -0.00128 0.00059 0.00141 -0.00007 166 4YY 0.00064 0.00000 -0.00021 0.00012 0.00010 167 4ZZ 0.00073 0.00114 0.00015 -0.00059 -0.00001 168 4XY 0.00019 0.00001 0.00021 0.00007 -0.00005 169 4XZ 0.00037 0.00001 0.00003 0.00008 0.00003 170 4YZ 0.00012 0.00021 0.00012 0.00001 0.00016 171 21 C 1S 0.00006 0.00014 0.00007 0.00002 0.00000 172 2S -0.00090 -0.00168 -0.00102 0.00026 0.00001 173 2PX -0.00264 -0.00116 -0.00012 -0.00122 0.00005 174 2PY 0.00040 -0.00157 -0.00078 -0.00112 0.00000 175 2PZ -0.00187 -0.00288 -0.00017 0.00021 0.00004 176 3S 0.00149 -0.00489 -0.00286 0.00277 -0.00004 177 3PX -0.00468 -0.00073 -0.00046 -0.00117 -0.00001 178 3PY 0.00071 -0.00141 -0.00035 -0.00109 -0.00017 179 3PZ -0.00045 -0.00620 -0.00134 0.00048 0.00044 180 4XX 0.00003 0.00036 0.00003 0.00020 -0.00001 181 4YY -0.00023 -0.00041 0.00006 -0.00032 0.00000 182 4ZZ 0.00025 0.00021 -0.00012 0.00017 0.00001 183 4XY 0.00002 -0.00009 -0.00004 -0.00003 0.00000 184 4XZ -0.00010 0.00005 0.00002 0.00001 0.00001 185 4YZ 0.00000 0.00002 -0.00005 -0.00004 0.00001 186 22 H 1S 0.00021 0.00010 -0.00008 0.00018 0.00000 187 2S 0.00239 -0.00041 -0.00054 0.00259 0.00009 188 23 H 1S 0.00006 0.00030 0.00000 0.00004 0.00000 189 2S -0.00031 0.00313 0.00032 -0.00042 -0.00009 26 27 28 29 30 26 4YY 0.00124 27 4ZZ -0.00008 0.00166 28 4XY 0.00000 0.00000 0.00146 29 4XZ 0.00000 0.00000 0.00000 0.00147 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00192 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 0.00000 0.00001 0.00002 0.00001 33 2PX -0.00001 -0.00003 0.00002 0.00007 0.00001 34 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 35 2PZ 0.00000 -0.00001 0.00001 0.00001 0.00000 36 3S -0.00011 -0.00023 -0.00001 0.00006 0.00000 37 3PX -0.00015 -0.00026 0.00006 0.00018 0.00007 38 3PY -0.00003 -0.00012 0.00004 0.00002 0.00001 39 3PZ -0.00009 -0.00012 0.00003 0.00001 0.00000 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 0.00001 0.00001 0.00000 0.00000 0.00000 52 3PX -0.00003 -0.00001 0.00000 0.00002 0.00000 53 3PY 0.00000 0.00000 -0.00002 0.00000 0.00000 54 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.00000 0.00001 0.00000 0.00000 0.00000 67 3PX -0.00001 0.00003 -0.00001 -0.00001 0.00000 68 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.00001 -0.00001 0.00001 0.00000 0.00001 82 3PX 0.00000 0.00001 0.00007 -0.00002 0.00005 83 3PY 0.00001 -0.00002 0.00002 0.00001 0.00001 84 3PZ 0.00000 0.00000 0.00004 0.00000 0.00000 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00001 0.00000 0.00000 0.00000 0.00004 92 2S -0.00027 0.00027 0.00001 0.00001 0.00022 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 0.00000 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 0.00005 -0.00001 0.00000 0.00000 0.00001 101 12 H 1S -0.00033 0.00234 0.00041 0.00023 0.00377 102 2S -0.00044 0.00314 0.00010 0.00003 0.00064 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 0.00002 0.00000 -0.00001 0.00000 109 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 110 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 111 3PZ -0.00001 0.00002 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 121 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 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 0.00001 0.00000 0.00002 0.00000 128 3PX -0.00001 -0.00003 0.00000 0.00000 0.00000 129 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 130 3PZ 0.00000 0.00015 0.00000 0.00002 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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00002 0.00011 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 0.00000 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00001 0.00000 0.00001 0.00000 0.00001 144 2PY 0.00002 0.00000 0.00001 0.00000 0.00001 145 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 146 3S 0.00013 0.00004 0.00003 -0.00003 0.00000 147 3PX 0.00012 0.00008 0.00007 0.00000 0.00007 148 3PY 0.00036 0.00002 0.00013 -0.00004 0.00009 149 3PZ 0.00004 -0.00004 0.00004 0.00000 -0.00001 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00001 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00001 0.00000 -0.00005 -0.00008 -0.00003 157 2S -0.00019 0.00007 0.00089 0.00157 0.00056 158 2PX -0.00048 0.00157 0.00038 0.00289 0.00116 159 2PY 0.00017 0.00023 0.00025 0.00116 0.00016 160 2PZ -0.00031 -0.00055 0.00125 0.00026 -0.00003 161 3S -0.00007 -0.00012 0.00096 0.00101 0.00085 162 3PX -0.00143 0.00390 0.00001 0.00088 0.00070 163 3PY -0.00054 0.00045 0.00071 0.00077 0.00045 164 3PZ -0.00099 -0.00197 0.00073 -0.00001 0.00002 165 4XX -0.00001 0.00008 0.00004 0.00005 -0.00001 166 4YY -0.00004 0.00002 0.00002 0.00009 0.00001 167 4ZZ 0.00001 -0.00001 0.00000 -0.00002 -0.00001 168 4XY 0.00001 0.00004 0.00000 0.00013 -0.00003 169 4XZ -0.00003 -0.00001 0.00003 0.00005 0.00000 170 4YZ 0.00000 -0.00003 -0.00002 0.00001 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S -0.00001 0.00002 0.00002 0.00001 0.00002 173 2PX -0.00002 0.00006 0.00004 0.00006 0.00004 174 2PY 0.00000 0.00003 0.00000 0.00000 0.00000 175 2PZ -0.00002 0.00003 0.00004 0.00005 0.00002 176 3S -0.00010 0.00015 0.00005 -0.00005 0.00008 177 3PX -0.00015 0.00042 0.00005 0.00006 0.00006 178 3PY 0.00003 0.00009 -0.00007 -0.00006 -0.00006 179 3PZ -0.00013 -0.00008 0.00002 -0.00001 0.00004 180 4XX 0.00000 0.00001 0.00000 0.00001 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00001 0.00000 0.00001 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 -0.00016 -0.00001 -0.00003 0.00001 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00001 0.00003 0.00000 0.00001 -0.00001 31 32 33 34 35 31 3 C 1S 2.05499 32 2S -0.01343 0.32633 33 2PX 0.00000 0.00000 0.35438 34 2PY 0.00000 0.00000 0.00000 0.41151 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.38400 36 3S -0.03645 0.23613 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.11189 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 -0.00054 -0.00132 -0.00067 -0.00092 47 2S -0.00058 0.01134 0.02021 0.00936 0.01358 48 2PX -0.00143 0.02093 -0.00057 0.01826 0.03417 49 2PY -0.00062 0.00935 0.01791 -0.00036 0.00933 50 2PZ -0.00090 0.01263 0.03915 0.00746 0.00059 51 3S 0.00070 0.00574 0.00750 0.01238 0.00722 52 3PX -0.00061 0.01223 0.00366 0.00805 0.01436 53 3PY -0.00036 0.00249 0.01210 0.00131 0.00369 54 3PZ 0.00035 0.00196 0.01594 0.00065 0.00348 55 4XX -0.00003 0.00050 -0.00076 0.00066 0.00099 56 4YY 0.00001 -0.00046 -0.00034 -0.00027 -0.00033 57 4ZZ 0.00000 0.00001 0.00041 0.00025 -0.00055 58 4XY -0.00008 0.00083 0.00020 -0.00002 0.00121 59 4XZ -0.00009 0.00096 0.00031 0.00105 -0.00005 60 4YZ -0.00007 0.00068 0.00124 -0.00001 0.00005 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00009 -0.00011 -0.00024 -0.00005 63 2PX 0.00000 -0.00001 0.00001 -0.00002 -0.00006 64 2PY 0.00000 -0.00030 -0.00025 -0.00053 -0.00010 65 2PZ 0.00000 -0.00005 -0.00008 -0.00005 0.00000 66 3S -0.00002 -0.00118 0.00136 -0.00557 0.00025 67 3PX -0.00006 0.00040 -0.00041 -0.00006 -0.00025 68 3PY 0.00010 -0.00274 0.00143 -0.00579 -0.00045 69 3PZ -0.00004 -0.00007 0.00025 0.00006 -0.00044 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00002 0.00001 0.00006 0.00002 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00002 0.00000 0.00006 0.00004 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00001 0.00005 0.00002 0.00000 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 0.00002 0.00003 0.00003 0.00003 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 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00013 0.00023 0.00019 0.00011 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00002 0.00000 0.00006 0.00000 99 11 H 1S -0.00196 0.03098 0.00105 0.09692 0.00070 100 2S -0.00121 0.01238 0.00024 0.06456 0.00049 101 12 H 1S 0.00000 -0.00002 -0.00005 0.00000 -0.00004 102 2S 0.00003 -0.00065 -0.00108 0.00000 -0.00122 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 -0.00002 0.00000 -0.00008 -0.00005 105 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 106 2PY 0.00000 -0.00011 0.00000 -0.00027 -0.00017 107 2PZ 0.00000 -0.00004 0.00000 -0.00004 -0.00006 108 3S 0.00000 -0.00058 -0.00039 -0.00336 0.00006 109 3PX 0.00000 -0.00008 0.00020 -0.00018 0.00002 110 3PY 0.00009 -0.00203 -0.00020 -0.00450 -0.00131 111 3PZ 0.00000 -0.00047 -0.00018 -0.00024 -0.00028 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 114 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00001 0.00000 0.00003 0.00002 118 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00006 0.00001 0.00010 0.00023 120 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 121 2S 0.00000 0.00009 0.00011 0.00015 0.00006 122 16 C 1S 0.00000 -0.00019 -0.00012 -0.00024 -0.00095 123 2S -0.00020 0.00510 0.00225 0.00423 0.01884 124 2PX -0.00009 0.00176 0.00002 0.00094 0.00648 125 2PY -0.00019 0.00371 0.00070 -0.00061 0.01257 126 2PZ -0.00117 0.02398 0.00789 0.01390 0.04484 127 3S 0.00013 0.00692 0.00563 0.00982 0.01744 128 3PX -0.00008 0.00179 0.00000 0.00068 0.00364 129 3PY -0.00024 0.00226 0.00058 0.00034 0.00760 130 3PZ -0.00127 0.01980 0.00424 0.00822 0.01549 131 4XX 0.00000 -0.00030 0.00003 -0.00007 -0.00038 132 4YY 0.00000 -0.00018 -0.00003 -0.00006 -0.00029 133 4ZZ -0.00007 0.00165 0.00057 0.00108 0.00023 134 4XY 0.00000 0.00007 0.00004 0.00000 0.00021 135 4XZ -0.00002 0.00039 0.00047 0.00020 0.00058 136 4YZ -0.00005 0.00082 0.00023 0.00005 0.00129 137 17 H 1S 0.00000 -0.00015 -0.00026 0.00000 -0.00029 138 2S 0.00020 -0.00288 -0.00584 -0.00011 -0.00246 139 18 H 1S 0.00000 -0.00019 0.00001 -0.00001 -0.00045 140 2S 0.00018 -0.00332 -0.00013 -0.00012 -0.00666 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 -0.00009 0.00000 0.00001 162 3PX 0.00000 -0.00011 -0.00099 -0.00002 -0.00003 163 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 164 3PZ 0.00000 -0.00001 -0.00009 0.00000 0.00005 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00002 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00003 0.00000 -0.00001 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 36 3S 0.30063 37 3PX 0.00000 0.12488 38 3PY 0.00000 0.00000 0.05321 39 3PZ 0.00000 0.00000 0.00000 0.09657 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 -0.00055 -0.00102 -0.00059 -0.00032 -0.00004 47 2S 0.01143 0.01276 0.00675 0.00387 0.00057 48 2PX 0.02145 0.00242 0.00702 0.01528 -0.00099 49 2PY 0.00590 0.00816 -0.00073 0.00376 0.00080 50 2PZ 0.01306 0.02060 0.00274 0.00258 0.00133 51 3S -0.01475 -0.00312 0.00540 0.00231 0.00123 52 3PX 0.01146 0.01823 0.00359 0.01266 -0.00161 53 3PY 0.00031 0.01057 0.00090 -0.00004 0.00080 54 3PZ 0.00069 0.01516 -0.00047 0.01139 0.00174 55 4XX 0.00113 -0.00122 0.00038 0.00142 -0.00002 56 4YY -0.00076 0.00008 -0.00056 -0.00054 -0.00003 57 4ZZ -0.00044 0.00087 -0.00013 -0.00080 0.00002 58 4XY 0.00045 0.00000 0.00002 0.00025 0.00000 59 4XZ 0.00026 -0.00001 0.00009 0.00002 0.00000 60 4YZ 0.00036 0.00030 0.00001 0.00004 -0.00007 61 5 C 1S 0.00004 0.00004 0.00006 0.00003 0.00000 62 2S -0.00122 -0.00090 -0.00155 -0.00048 0.00000 63 2PX -0.00102 -0.00004 -0.00010 -0.00104 -0.00001 64 2PY -0.00147 -0.00124 0.00064 -0.00151 -0.00001 65 2PZ -0.00108 -0.00095 -0.00066 -0.00021 0.00001 66 3S -0.00157 0.00466 -0.00670 -0.00143 -0.00002 67 3PX -0.00090 -0.00292 0.00027 -0.00242 -0.00013 68 3PY -0.00347 0.00394 -0.00164 -0.00328 -0.00004 69 3PZ -0.00043 -0.00051 -0.00011 -0.00241 0.00017 70 4XX 0.00000 0.00010 0.00004 -0.00007 0.00000 71 4YY 0.00009 -0.00006 0.00012 0.00006 0.00000 72 4ZZ 0.00005 -0.00002 0.00000 0.00005 0.00000 73 4XY 0.00014 0.00001 0.00014 0.00012 0.00000 74 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 75 4YZ 0.00009 0.00018 0.00006 0.00002 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 -0.00749 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 0.00000 0.00004 -0.00001 0.00002 0.00000 92 2S 0.00009 0.00051 -0.00013 0.00041 0.00000 93 8 H 1S -0.00410 -0.00228 -0.00011 -0.00102 0.00002 94 2S -0.01508 -0.01064 -0.00027 -0.00394 0.00015 95 9 H 1S 0.00011 0.00012 0.00006 0.00007 0.00000 96 2S 0.00169 0.00167 0.00108 0.00063 0.00000 97 10 H 1S 0.00000 0.00000 -0.00003 0.00000 0.00000 98 2S 0.00020 0.00003 -0.00016 0.00001 0.00000 99 11 H 1S 0.04240 0.00025 0.04296 0.00017 -0.00103 100 2S 0.02340 -0.00063 0.04178 -0.00010 -0.00176 101 12 H 1S -0.00059 -0.00157 0.00000 -0.00084 0.00000 102 2S -0.00383 -0.00490 -0.00003 -0.00395 0.00006 103 13 C 1S 0.00002 0.00001 0.00005 0.00001 0.00000 104 2S -0.00040 -0.00009 -0.00095 -0.00046 0.00000 105 2PX -0.00011 -0.00005 0.00000 0.00006 0.00000 106 2PY -0.00123 -0.00020 -0.00108 -0.00158 0.00000 107 2PZ 0.00017 -0.00019 0.00178 -0.00044 0.00000 108 3S -0.00142 -0.00184 -0.00547 0.00200 -0.00002 109 3PX -0.00033 0.00051 -0.00015 0.00022 0.00000 110 3PY -0.00425 -0.00083 -0.00385 -0.00215 -0.00003 111 3PZ 0.00049 -0.00062 0.00275 -0.00015 -0.00003 112 4XX 0.00001 0.00001 -0.00005 0.00000 0.00000 113 4YY 0.00002 0.00003 0.00004 -0.00010 0.00000 114 4ZZ -0.00002 -0.00004 0.00006 0.00006 0.00000 115 4XY 0.00001 0.00002 0.00000 0.00001 0.00000 116 4XZ 0.00000 -0.00002 0.00000 -0.00001 0.00000 117 4YZ 0.00005 0.00002 0.00002 0.00007 0.00000 118 14 H 1S -0.00001 0.00000 -0.00011 0.00024 0.00000 119 2S 0.00004 0.00006 -0.00014 0.00192 0.00001 120 15 H 1S 0.00004 0.00005 -0.00005 0.00002 0.00000 121 2S 0.00041 0.00088 -0.00025 -0.00009 0.00000 122 16 C 1S -0.00008 -0.00013 -0.00030 -0.00056 0.00000 123 2S 0.00439 0.00144 0.00327 0.01093 -0.00025 124 2PX 0.00232 0.00002 0.00013 0.00151 0.00003 125 2PY 0.00318 0.00032 -0.00170 0.00724 -0.00003 126 2PZ 0.02221 0.00379 0.00268 0.01200 -0.00056 127 3S 0.00013 0.00757 0.00649 -0.00033 -0.00076 128 3PX 0.00180 -0.00074 -0.00003 0.00122 -0.00020 129 3PY 0.00225 0.00009 -0.00189 0.00562 -0.00013 130 3PZ 0.01207 0.00263 0.00065 0.00191 -0.00046 131 4XX -0.00096 -0.00026 0.00001 0.00003 0.00002 132 4YY -0.00038 -0.00014 -0.00034 -0.00005 0.00000 133 4ZZ 0.00238 0.00065 0.00048 -0.00049 -0.00005 134 4XY 0.00004 0.00006 0.00001 0.00003 0.00000 135 4XZ 0.00013 0.00054 0.00001 0.00015 0.00000 136 4YZ 0.00035 0.00005 0.00023 0.00018 -0.00002 137 17 H 1S -0.00230 -0.00206 0.00009 0.00032 0.00003 138 2S -0.01153 -0.01242 -0.00013 0.00542 0.00057 139 18 H 1S -0.00122 -0.00012 0.00015 -0.00578 0.00000 140 2S -0.00380 -0.00091 0.00030 -0.01806 -0.00007 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 143 2PX 0.00000 0.00001 -0.00001 0.00000 0.00000 144 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S -0.00007 -0.00005 -0.00008 -0.00001 0.00000 147 3PX -0.00007 0.00013 -0.00022 0.00000 0.00000 148 3PY -0.00007 0.00009 -0.00003 0.00000 0.00000 149 3PZ -0.00001 0.00000 -0.00002 0.00002 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 157 2S 0.00004 0.00008 0.00001 -0.00002 0.00000 158 2PX -0.00039 -0.00078 -0.00007 -0.00008 0.00000 159 2PY -0.00002 0.00002 0.00001 0.00000 0.00000 160 2PZ -0.00005 -0.00006 -0.00001 0.00011 0.00000 161 3S 0.00004 0.00079 0.00005 -0.00007 -0.00001 162 3PX -0.00341 -0.00509 -0.00042 -0.00053 0.00003 163 3PY -0.00013 0.00011 0.00010 -0.00002 0.00000 164 3PZ -0.00044 -0.00047 -0.00005 0.00119 0.00000 165 4XX -0.00002 0.00010 0.00000 0.00001 0.00000 166 4YY 0.00002 -0.00003 0.00000 0.00000 0.00000 167 4ZZ 0.00000 -0.00005 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00001 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00002 0.00001 0.00001 -0.00001 0.00000 174 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00009 0.00016 0.00004 -0.00002 0.00000 177 3PX 0.00002 -0.00008 -0.00005 -0.00002 0.00000 178 3PY -0.00005 -0.00006 0.00000 0.00000 0.00000 179 3PZ 0.00002 0.00004 0.00002 0.00010 0.00000 180 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00001 0.00001 0.00001 0.00000 0.00000 187 2S 0.00037 0.00025 0.00025 -0.00019 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00003 -0.00003 -0.00002 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 0.00002 0.00000 -0.00008 -0.00011 -0.00006 47 2S -0.00045 -0.00019 0.00083 0.00116 0.00065 48 2PX -0.00024 0.00034 0.00030 0.00034 0.00116 49 2PY -0.00025 0.00013 -0.00003 0.00095 -0.00001 50 2PZ -0.00019 -0.00071 0.00116 0.00003 0.00009 51 3S -0.00158 0.00062 0.00021 0.00039 0.00020 52 3PX -0.00022 0.00152 0.00001 -0.00002 0.00018 53 3PY -0.00043 -0.00031 0.00000 0.00016 -0.00002 54 3PZ -0.00022 -0.00113 0.00013 0.00002 0.00003 55 4XX -0.00004 0.00005 -0.00003 -0.00001 0.00000 56 4YY 0.00004 -0.00005 0.00000 -0.00005 0.00000 57 4ZZ -0.00006 0.00002 -0.00005 0.00001 -0.00002 58 4XY 0.00000 -0.00010 0.00001 -0.00001 0.00000 59 4XZ -0.00010 0.00001 0.00000 0.00003 0.00000 60 4YZ 0.00000 -0.00002 0.00001 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00003 0.00000 0.00001 0.00000 0.00001 63 2PX 0.00001 0.00001 0.00000 0.00000 0.00001 64 2PY 0.00014 -0.00001 0.00006 -0.00001 0.00004 65 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 66 3S 0.00046 -0.00017 0.00008 -0.00002 0.00005 67 3PX 0.00005 0.00010 0.00000 -0.00001 0.00005 68 3PY 0.00070 -0.00027 0.00010 -0.00001 0.00006 69 3PZ -0.00004 -0.00007 0.00004 0.00001 0.00000 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00001 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 0.00000 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 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S -0.00002 0.00000 0.00000 0.00000 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 H 1S 0.00754 -0.00119 0.00009 0.00001 0.00008 100 2S 0.00684 -0.00308 0.00002 0.00000 0.00001 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S -0.00002 0.00003 0.00000 0.00002 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00001 0.00000 0.00000 0.00000 0.00001 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 2PY 0.00005 -0.00001 0.00000 0.00000 0.00005 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00026 -0.00011 0.00001 0.00000 0.00006 109 3PX 0.00001 0.00000 0.00000 -0.00001 0.00000 110 3PY 0.00058 -0.00029 0.00001 -0.00001 0.00017 111 3PZ 0.00000 0.00001 0.00000 0.00000 0.00001 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S -0.00002 0.00000 0.00000 0.00000 -0.00001 120 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 121 2S -0.00001 0.00001 0.00000 0.00000 0.00000 122 16 C 1S 0.00001 -0.00008 0.00000 -0.00002 -0.00004 123 2S -0.00028 0.00173 0.00008 0.00027 0.00071 124 2PX -0.00004 0.00057 0.00002 0.00055 0.00018 125 2PY -0.00005 0.00113 0.00000 0.00016 0.00007 126 2PZ -0.00047 -0.00015 0.00023 0.00036 0.00127 127 3S -0.00147 0.00324 0.00007 0.00015 0.00037 128 3PX -0.00007 0.00038 0.00002 0.00045 0.00004 129 3PY -0.00035 0.00081 0.00000 0.00003 0.00015 130 3PZ -0.00095 0.00011 0.00007 0.00003 0.00018 131 4XX -0.00001 0.00000 0.00000 0.00000 -0.00003 132 4YY 0.00002 -0.00008 0.00000 -0.00001 0.00000 133 4ZZ -0.00006 0.00007 0.00000 -0.00001 -0.00002 134 4XY 0.00000 0.00001 0.00000 0.00002 0.00000 135 4XZ -0.00001 -0.00007 0.00001 -0.00005 0.00001 136 4YZ 0.00000 -0.00007 0.00000 0.00000 0.00000 137 17 H 1S 0.00000 0.00001 0.00000 0.00008 0.00000 138 2S -0.00014 -0.00023 -0.00001 0.00030 -0.00002 139 18 H 1S 0.00000 0.00014 0.00000 0.00002 0.00000 140 2S -0.00012 0.00070 0.00000 0.00008 -0.00003 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 4 C 1S 2.05271 47 2S -0.01361 0.32496 48 2PX 0.00000 0.00000 0.36896 49 2PY 0.00000 0.00000 0.00000 0.41335 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.39023 51 3S -0.02961 0.20116 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.10336 0.00000 0.00000 53 3PY 0.00000 0.00000 0.00000 0.07887 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.09568 55 4XX -0.00113 -0.00672 0.00000 0.00000 0.00000 56 4YY -0.00134 -0.00219 0.00000 0.00000 0.00000 57 4ZZ -0.00127 -0.00380 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 -0.00047 0.00000 -0.00258 0.00000 62 2S -0.00047 0.00970 0.00000 0.04008 0.00000 63 2PX 0.00000 0.00000 0.01116 0.00000 0.00000 64 2PY -0.00258 0.04008 0.00000 0.09681 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00839 66 3S -0.00027 0.01148 0.00000 0.03098 0.00000 67 3PX 0.00000 0.00000 0.01911 0.00000 0.00000 68 3PY -0.00172 0.02369 0.00000 0.01764 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.01655 70 4XX 0.00000 -0.00042 0.00000 -0.00106 0.00000 71 4YY -0.00026 0.00361 0.00000 0.00223 0.00000 72 4ZZ 0.00000 -0.00047 0.00000 -0.00112 0.00000 73 4XY 0.00000 0.00000 0.00201 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 0.00210 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 -0.00148 -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 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00011 0.00000 0.00003 93 8 H 1S -0.00198 0.03084 0.02436 0.02406 0.04948 94 2S -0.00120 0.01190 0.01601 0.01556 0.03425 95 9 H 1S 0.00000 -0.00017 -0.00007 -0.00057 -0.00007 96 2S 0.00019 -0.00265 -0.00091 -0.00839 -0.00152 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00013 0.00003 0.00051 0.00001 99 11 H 1S 0.00000 -0.00019 -0.00019 -0.00047 -0.00007 100 2S 0.00019 -0.00267 -0.00255 -0.00651 -0.00039 101 12 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 102 2S 0.00000 -0.00003 -0.00048 0.00002 -0.00005 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 105 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 106 2PY 0.00000 0.00000 -0.00002 0.00001 0.00000 107 2PZ 0.00000 -0.00001 0.00001 -0.00002 -0.00002 108 3S 0.00002 -0.00039 -0.00025 -0.00036 -0.00016 109 3PX 0.00000 -0.00005 0.00000 -0.00003 -0.00005 110 3PY 0.00001 -0.00022 -0.00053 0.00010 0.00006 111 3PZ 0.00002 -0.00032 0.00017 -0.00075 -0.00016 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00001 -0.00002 -0.00001 0.00010 120 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 121 2S 0.00000 0.00000 0.00001 0.00001 -0.00001 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 -0.00004 -0.00005 0.00000 -0.00015 124 2PX 0.00000 -0.00007 0.00000 0.00000 -0.00022 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 -0.00017 -0.00033 0.00000 -0.00022 127 3S 0.00004 -0.00076 0.00005 0.00002 -0.00379 128 3PX 0.00004 -0.00064 0.00002 -0.00002 -0.00115 129 3PY 0.00000 0.00004 0.00002 0.00013 0.00009 130 3PZ 0.00012 -0.00216 -0.00313 0.00004 -0.00217 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 132 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 133 4ZZ 0.00000 0.00000 0.00004 0.00000 -0.00001 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 135 4XZ 0.00000 0.00001 -0.00001 0.00000 0.00008 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00015 -0.00001 0.00002 0.00041 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 140 2S 0.00000 -0.00006 0.00013 0.00000 -0.00054 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 3S 0.25010 52 3PX 0.00000 0.12000 53 3PY 0.00000 0.00000 0.06237 54 3PZ 0.00000 0.00000 0.00000 0.09329 55 4XX -0.00354 0.00000 0.00000 0.00000 0.00092 56 4YY -0.00196 0.00000 0.00000 0.00000 -0.00008 57 4ZZ -0.00155 0.00000 0.00000 0.00000 0.00007 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 -0.00027 0.00000 -0.00172 0.00000 0.00000 62 2S 0.01148 0.00000 0.02369 0.00000 -0.00042 63 2PX 0.00000 0.01911 0.00000 0.00000 0.00000 64 2PY 0.03098 0.00000 0.01764 0.00000 -0.00106 65 2PZ 0.00000 0.00000 0.00000 0.01655 0.00000 66 3S -0.00963 0.00000 0.00844 0.00000 -0.00148 67 3PX 0.00000 0.02603 0.00000 0.00000 0.00000 68 3PY 0.00844 0.00000 0.00146 0.00000 -0.00163 69 3PZ 0.00000 0.00000 0.00000 0.02467 0.00000 70 4XX -0.00148 0.00000 -0.00163 0.00000 0.00001 71 4YY 0.00401 0.00000 0.00113 0.00000 -0.00004 72 4ZZ -0.00135 0.00000 -0.00110 0.00000 0.00001 73 4XY 0.00000 0.00097 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 0.00084 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 0.00002 0.00006 0.00002 0.00000 0.00000 92 2S 0.00017 0.00120 0.00023 0.00028 0.00000 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 -0.00417 0.00012 -0.00334 0.00019 0.00000 96 2S -0.01699 0.00059 -0.01421 -0.00033 0.00011 97 10 H 1S 0.00015 0.00000 0.00033 0.00000 0.00000 98 2S 0.00219 0.00018 0.00392 -0.00004 0.00000 99 11 H 1S -0.00450 -0.00158 -0.00036 -0.00043 -0.00001 100 2S -0.01535 -0.00582 -0.00203 -0.00017 -0.00025 101 12 H 1S -0.00008 -0.00081 0.00003 -0.00026 0.00000 102 2S -0.00017 -0.00194 0.00021 -0.00063 -0.00004 103 13 C 1S 0.00001 0.00000 0.00001 0.00001 0.00000 104 2S -0.00036 0.00006 -0.00018 -0.00042 0.00000 105 2PX -0.00014 0.00004 -0.00033 -0.00003 0.00000 106 2PY -0.00023 -0.00038 0.00008 0.00010 0.00000 107 2PZ -0.00137 -0.00006 -0.00076 -0.00117 0.00000 108 3S -0.00468 -0.00148 -0.00260 -0.00056 -0.00002 109 3PX -0.00064 0.00000 -0.00082 0.00000 -0.00001 110 3PY -0.00149 -0.00158 0.00001 0.00079 -0.00003 111 3PZ -0.00522 -0.00027 -0.00249 -0.00211 0.00001 112 4XX 0.00004 0.00001 0.00003 0.00004 0.00000 113 4YY 0.00001 0.00001 0.00003 -0.00005 0.00000 114 4ZZ -0.00005 -0.00002 -0.00009 0.00001 0.00000 115 4XY -0.00001 0.00000 0.00001 -0.00001 0.00000 116 4XZ 0.00000 0.00001 0.00001 -0.00002 0.00000 117 4YZ 0.00001 0.00000 0.00001 0.00003 0.00000 118 14 H 1S 0.00004 0.00000 -0.00002 0.00010 0.00000 119 2S 0.00052 -0.00015 -0.00030 0.00142 0.00000 120 15 H 1S 0.00001 0.00001 0.00002 0.00000 0.00000 121 2S 0.00036 0.00036 0.00040 -0.00009 0.00000 122 16 C 1S 0.00002 0.00001 0.00000 0.00012 0.00000 123 2S -0.00042 0.00002 -0.00003 -0.00177 0.00000 124 2PX -0.00082 0.00015 -0.00008 -0.00219 0.00000 125 2PY -0.00002 -0.00002 0.00019 0.00001 0.00000 126 2PZ -0.00011 -0.00079 -0.00014 0.00070 0.00001 127 3S 0.00248 0.00384 -0.00019 -0.00950 0.00010 128 3PX -0.00096 0.00004 -0.00014 -0.00300 0.00000 129 3PY 0.00009 -0.00003 0.00105 0.00013 0.00000 130 3PZ 0.00150 -0.00198 -0.00016 0.00127 0.00004 131 4XX 0.00006 -0.00008 0.00001 0.00026 0.00000 132 4YY -0.00007 -0.00007 0.00000 -0.00002 0.00000 133 4ZZ 0.00005 0.00033 -0.00001 -0.00022 0.00000 134 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 135 4XZ 0.00006 -0.00006 0.00001 0.00029 0.00000 136 4YZ 0.00000 0.00000 -0.00005 0.00000 0.00000 137 17 H 1S 0.00005 -0.00005 0.00005 0.00015 0.00000 138 2S 0.00079 -0.00100 0.00047 0.00247 -0.00001 139 18 H 1S -0.00011 0.00013 -0.00002 -0.00097 0.00000 140 2S -0.00081 0.00059 -0.00011 -0.00406 0.00002 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00002 0.00006 0.00001 0.00000 0.00000 147 3PX 0.00004 0.00032 0.00005 -0.00003 0.00000 148 3PY 0.00001 0.00002 0.00000 0.00001 0.00000 149 3PZ 0.00000 -0.00004 0.00000 -0.00001 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00024 0.00001 -0.00003 0.00000 162 3PX 0.00008 0.00030 0.00004 0.00002 0.00000 163 3PY -0.00002 -0.00003 0.00001 0.00000 0.00000 164 3PZ -0.00003 -0.00005 0.00000 0.00003 0.00000 165 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S -0.00001 -0.00004 0.00000 0.00000 0.00000 177 3PX 0.00000 -0.00003 0.00000 0.00001 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 -0.00005 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00001 -0.00005 0.00000 0.00001 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00001 0.00000 0.00000 0.00000 56 57 58 59 60 56 4YY 0.00114 57 4ZZ -0.00006 0.00089 58 4XY 0.00000 0.00000 0.00095 59 4XZ 0.00000 0.00000 0.00000 0.00067 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00117 61 5 C 1S -0.00026 0.00000 0.00000 0.00000 0.00000 62 2S 0.00361 -0.00047 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00000 0.00201 0.00000 0.00000 64 2PY 0.00223 -0.00112 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00210 66 3S 0.00401 -0.00135 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.00097 0.00000 0.00000 68 3PY 0.00113 -0.00110 0.00000 0.00000 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.00084 70 4XX -0.00004 0.00001 0.00000 0.00000 0.00000 71 4YY -0.00008 -0.00004 0.00000 0.00000 0.00000 72 4ZZ -0.00004 0.00002 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 -0.00012 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 -0.00022 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 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 8 H 1S -0.00082 0.00160 0.00114 0.00172 0.00226 94 2S -0.00135 0.00254 0.00027 0.00030 0.00052 95 9 H 1S 0.00002 0.00000 0.00003 0.00000 0.00005 96 2S -0.00017 0.00014 0.00012 0.00000 0.00026 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S -0.00001 -0.00001 -0.00001 0.00000 0.00000 99 11 H 1S 0.00009 -0.00001 0.00004 -0.00001 0.00002 100 2S 0.00097 -0.00025 0.00009 -0.00008 0.00008 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00002 -0.00001 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00003 0.00003 0.00000 -0.00001 -0.00004 109 3PX 0.00000 0.00001 0.00000 0.00000 -0.00001 110 3PY 0.00004 -0.00002 0.00000 -0.00002 0.00001 111 3PZ -0.00002 0.00003 -0.00003 0.00000 -0.00001 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 121 2S 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 0.00001 0.00000 124 2PX 0.00000 0.00002 0.00000 0.00001 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 2PZ 0.00000 0.00006 0.00000 0.00005 0.00000 127 3S -0.00012 0.00019 0.00000 0.00008 -0.00001 128 3PX -0.00003 0.00015 0.00000 0.00001 0.00000 129 3PY 0.00000 -0.00001 -0.00003 0.00000 -0.00001 130 3PZ -0.00015 0.00050 -0.00001 0.00018 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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 -0.00004 0.00000 -0.00001 -0.00001 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 5 C 1S 2.05271 62 2S -0.01361 0.32496 63 2PX 0.00000 0.00000 0.36896 64 2PY 0.00000 0.00000 0.00000 0.41335 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.39023 66 3S -0.02961 0.20116 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.10336 0.00000 0.00000 68 3PY 0.00000 0.00000 0.00000 0.07887 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.09568 70 4XX -0.00113 -0.00672 0.00000 0.00000 0.00000 71 4YY -0.00134 -0.00219 0.00000 0.00000 0.00000 72 4ZZ -0.00127 -0.00380 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 -0.00058 -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 0.00936 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 0.02060 83 3PY -0.00059 0.00675 0.00702 -0.00073 0.00274 84 3PZ -0.00032 0.00387 0.01528 0.00376 0.00258 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 0.00000 0.00000 -0.00001 0.00000 0.00000 92 2S 0.00000 -0.00003 -0.00048 0.00002 -0.00005 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 -0.00198 0.03084 0.02436 0.02406 0.04948 96 2S -0.00120 0.01190 0.01601 0.01556 0.03425 97 10 H 1S 0.00000 -0.00019 -0.00019 -0.00047 -0.00007 98 2S 0.00019 -0.00267 -0.00255 -0.00651 -0.00039 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00013 0.00003 0.00051 0.00001 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00000 0.00011 0.00000 0.00003 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 -0.00004 -0.00005 0.00000 -0.00015 105 2PX 0.00000 -0.00007 0.00000 0.00000 -0.00022 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 -0.00017 -0.00033 0.00000 -0.00022 108 3S 0.00004 -0.00076 0.00005 0.00002 -0.00378 109 3PX 0.00004 -0.00064 0.00002 -0.00002 -0.00115 110 3PY 0.00000 0.00004 0.00002 0.00013 0.00009 111 3PZ 0.00012 -0.00216 -0.00313 0.00004 -0.00217 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00004 0.00000 -0.00001 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00001 -0.00001 0.00000 0.00008 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 119 2S 0.00000 -0.00006 0.00013 0.00000 -0.00054 120 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 121 2S 0.00000 0.00015 -0.00001 0.00002 0.00041 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 124 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 125 2PY 0.00000 0.00000 -0.00002 0.00001 0.00000 126 2PZ 0.00000 -0.00001 0.00001 -0.00002 -0.00002 127 3S 0.00002 -0.00039 -0.00025 -0.00036 -0.00016 128 3PX 0.00000 -0.00005 0.00000 -0.00003 -0.00005 129 3PY 0.00001 -0.00022 -0.00053 0.00010 0.00006 130 3PZ 0.00002 -0.00032 0.00017 -0.00075 -0.00016 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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00001 0.00001 -0.00001 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00001 -0.00002 -0.00001 0.00010 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 3S 0.25010 67 3PX 0.00000 0.12000 68 3PY 0.00000 0.00000 0.06237 69 3PZ 0.00000 0.00000 0.00000 0.09329 70 4XX -0.00354 0.00000 0.00000 0.00000 0.00092 71 4YY -0.00196 0.00000 0.00000 0.00000 -0.00008 72 4ZZ -0.00155 0.00000 0.00000 0.00000 0.00007 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 0.00070 -0.00061 -0.00036 0.00035 -0.00003 77 2S 0.00574 0.01223 0.00249 0.00196 0.00050 78 2PX 0.00750 0.00366 0.01210 0.01594 -0.00076 79 2PY 0.01238 0.00805 0.00131 0.00065 0.00066 80 2PZ 0.00722 0.01436 0.00369 0.00348 0.00099 81 3S -0.01475 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 0.00231 0.01266 -0.00004 0.01139 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 -0.00008 -0.00081 0.00003 -0.00026 0.00000 92 2S -0.00017 -0.00194 0.00021 -0.00063 -0.00004 93 8 H 1S -0.00417 0.00012 -0.00334 0.00019 0.00000 94 2S -0.01699 0.00059 -0.01421 -0.00033 0.00011 95 9 H 1S 0.04347 0.00828 0.01001 0.02191 -0.00039 96 2S 0.03825 0.00516 0.00740 0.02134 0.00026 97 10 H 1S -0.00450 -0.00158 -0.00036 -0.00043 -0.00001 98 2S -0.01535 -0.00582 -0.00203 -0.00017 -0.00025 99 11 H 1S 0.00015 0.00000 0.00033 0.00000 0.00000 100 2S 0.00219 0.00018 0.00392 -0.00004 0.00000 101 12 H 1S 0.00002 0.00006 0.00002 0.00000 0.00000 102 2S 0.00017 0.00120 0.00023 0.00028 0.00000 103 13 C 1S 0.00002 0.00001 0.00000 0.00012 0.00000 104 2S -0.00042 0.00002 -0.00003 -0.00177 0.00000 105 2PX -0.00082 0.00015 -0.00008 -0.00219 0.00000 106 2PY -0.00002 -0.00002 0.00019 0.00001 0.00000 107 2PZ -0.00011 -0.00079 -0.00014 0.00070 0.00001 108 3S 0.00248 0.00384 -0.00019 -0.00950 0.00010 109 3PX -0.00096 0.00004 -0.00014 -0.00300 0.00000 110 3PY 0.00009 -0.00003 0.00105 0.00013 0.00000 111 3PZ 0.00150 -0.00198 -0.00016 0.00127 0.00004 112 4XX 0.00006 -0.00008 0.00001 0.00026 0.00000 113 4YY -0.00007 -0.00007 0.00000 -0.00002 0.00000 114 4ZZ 0.00005 0.00033 -0.00001 -0.00022 0.00000 115 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 116 4XZ 0.00006 -0.00006 0.00001 0.00029 0.00000 117 4YZ 0.00000 0.00000 -0.00005 0.00000 0.00000 118 14 H 1S -0.00011 0.00013 -0.00002 -0.00096 0.00000 119 2S -0.00081 0.00059 -0.00011 -0.00406 0.00002 120 15 H 1S 0.00005 -0.00005 0.00005 0.00015 0.00000 121 2S 0.00079 -0.00100 0.00047 0.00247 -0.00001 122 16 C 1S 0.00001 0.00000 0.00001 0.00001 0.00000 123 2S -0.00036 0.00006 -0.00018 -0.00042 0.00000 124 2PX -0.00014 0.00004 -0.00033 -0.00003 0.00000 125 2PY -0.00023 -0.00038 0.00008 0.00010 0.00000 126 2PZ -0.00137 -0.00006 -0.00076 -0.00117 0.00000 127 3S -0.00468 -0.00148 -0.00260 -0.00056 -0.00002 128 3PX -0.00064 0.00000 -0.00082 0.00000 -0.00001 129 3PY -0.00149 -0.00158 0.00001 0.00079 -0.00003 130 3PZ -0.00522 -0.00027 -0.00249 -0.00211 0.00001 131 4XX 0.00004 0.00001 0.00003 0.00004 0.00000 132 4YY 0.00001 0.00001 0.00003 -0.00005 0.00000 133 4ZZ -0.00005 -0.00002 -0.00009 0.00001 0.00000 134 4XY -0.00001 0.00000 0.00001 -0.00001 0.00000 135 4XZ 0.00000 0.00001 0.00001 -0.00002 0.00000 136 4YZ 0.00001 0.00000 0.00001 0.00003 0.00000 137 17 H 1S 0.00001 0.00001 0.00002 0.00000 0.00000 138 2S 0.00036 0.00036 0.00040 -0.00009 0.00000 139 18 H 1S 0.00004 0.00000 -0.00002 0.00010 0.00000 140 2S 0.00052 -0.00015 -0.00030 0.00142 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00024 0.00001 -0.00003 0.00000 147 3PX 0.00008 0.00030 0.00004 0.00002 0.00000 148 3PY -0.00002 -0.00003 0.00001 0.00000 0.00000 149 3PZ -0.00003 -0.00005 0.00000 0.00003 0.00000 150 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00002 0.00006 0.00001 0.00000 0.00000 162 3PX 0.00004 0.00032 0.00005 -0.00003 0.00000 163 3PY 0.00001 0.00002 0.00000 0.00001 0.00000 164 3PZ 0.00000 -0.00004 0.00000 -0.00001 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S -0.00001 -0.00004 0.00000 0.00000 0.00000 177 3PX 0.00000 -0.00003 0.00000 0.00001 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 -0.00005 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00001 -0.00005 0.00000 0.00001 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00001 0.00000 0.00000 0.00000 71 72 73 74 75 71 4YY 0.00114 72 4ZZ -0.00006 0.00089 73 4XY 0.00000 0.00000 0.00095 74 4XZ 0.00000 0.00000 0.00000 0.00067 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00117 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 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00002 -0.00001 0.00000 0.00000 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 -0.00082 0.00160 0.00114 0.00172 0.00226 96 2S -0.00135 0.00254 0.00027 0.00030 0.00052 97 10 H 1S 0.00009 -0.00001 0.00004 -0.00001 0.00002 98 2S 0.00097 -0.00025 0.00009 -0.00008 0.00008 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S -0.00001 -0.00001 -0.00001 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 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00001 0.00000 0.00001 0.00000 105 2PX 0.00000 0.00002 0.00000 0.00001 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00006 0.00000 0.00005 0.00000 108 3S -0.00012 0.00019 0.00000 0.00008 -0.00001 109 3PX -0.00003 0.00015 0.00000 0.00001 0.00000 110 3PY 0.00000 -0.00001 -0.00003 0.00000 -0.00001 111 3PZ -0.00015 0.00050 -0.00001 0.00018 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 -0.00004 0.00000 -0.00001 -0.00001 120 15 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 121 2S 0.00000 -0.00001 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 0.00003 0.00003 0.00000 -0.00001 -0.00004 128 3PX 0.00000 0.00001 0.00000 0.00000 -0.00001 129 3PY 0.00004 -0.00002 0.00000 -0.00002 0.00001 130 3PZ -0.00002 0.00003 -0.00003 0.00000 -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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00000 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 0.00000 0.00000 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 76 77 78 79 80 76 6 C 1S 2.05499 77 2S -0.01343 0.32633 78 2PX 0.00000 0.00000 0.35438 79 2PY 0.00000 0.00000 0.00000 0.41151 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.38400 81 3S -0.03645 0.23613 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 0.11189 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 -0.00002 -0.00005 0.00000 -0.00004 92 2S 0.00003 -0.00065 -0.00108 0.00000 -0.00122 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 -0.00020 -0.00035 0.00000 -0.00037 96 2S 0.00026 -0.00342 -0.00577 0.00001 -0.00550 97 10 H 1S -0.00196 0.03098 0.00105 0.09692 0.00070 98 2S -0.00121 0.01238 0.00024 0.06456 0.00049 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00002 0.00000 0.00006 0.00000 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00002 0.00003 0.00003 0.00003 103 13 C 1S 0.00000 -0.00019 -0.00012 -0.00024 -0.00095 104 2S -0.00020 0.00510 0.00225 0.00423 0.01884 105 2PX -0.00009 0.00176 0.00002 0.00094 0.00648 106 2PY -0.00019 0.00371 0.00070 -0.00061 0.01257 107 2PZ -0.00117 0.02398 0.00789 0.01390 0.04484 108 3S 0.00013 0.00692 0.00563 0.00982 0.01744 109 3PX -0.00008 0.00179 0.00000 0.00068 0.00364 110 3PY -0.00024 0.00226 0.00058 0.00034 0.00760 111 3PZ -0.00127 0.01980 0.00424 0.00822 0.01549 112 4XX 0.00000 -0.00030 0.00003 -0.00007 -0.00038 113 4YY 0.00000 -0.00018 -0.00003 -0.00006 -0.00029 114 4ZZ -0.00007 0.00165 0.00057 0.00108 0.00023 115 4XY 0.00000 0.00007 0.00004 0.00000 0.00021 116 4XZ -0.00002 0.00039 0.00047 0.00020 0.00058 117 4YZ -0.00005 0.00082 0.00023 0.00005 0.00129 118 14 H 1S 0.00000 -0.00019 0.00001 -0.00001 -0.00045 119 2S 0.00018 -0.00332 -0.00013 -0.00012 -0.00666 120 15 H 1S 0.00000 -0.00015 -0.00026 0.00000 -0.00029 121 2S 0.00020 -0.00288 -0.00584 -0.00011 -0.00246 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 -0.00002 0.00000 -0.00008 -0.00005 124 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 125 2PY 0.00000 -0.00011 0.00000 -0.00027 -0.00017 126 2PZ 0.00000 -0.00004 0.00000 -0.00004 -0.00006 127 3S 0.00000 -0.00058 -0.00039 -0.00336 0.00006 128 3PX 0.00000 -0.00008 0.00020 -0.00018 0.00002 129 3PY 0.00009 -0.00203 -0.00020 -0.00450 -0.00131 130 3PZ 0.00000 -0.00047 -0.00018 -0.00024 -0.00028 131 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 133 4ZZ 0.00000 0.00000 0.00000 -0.00001 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 0.00001 0.00000 0.00003 0.00002 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 0.00009 0.00011 0.00015 0.00006 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00006 0.00001 0.00010 0.00023 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 -0.00009 0.00000 0.00001 147 3PX 0.00000 -0.00011 -0.00099 -0.00002 -0.00003 148 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 149 3PZ 0.00000 -0.00001 -0.00009 0.00000 0.00005 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00002 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00003 0.00000 -0.00001 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 3S 0.30063 82 3PX 0.00000 0.12488 83 3PY 0.00000 0.00000 0.05321 84 3PZ 0.00000 0.00000 0.00000 0.09657 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 -0.00059 -0.00157 0.00000 -0.00084 0.00000 92 2S -0.00383 -0.00490 -0.00003 -0.00395 0.00006 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 -0.00410 -0.00228 -0.00011 -0.00102 0.00002 96 2S -0.01508 -0.01064 -0.00027 -0.00394 0.00015 97 10 H 1S 0.04240 0.00025 0.04296 0.00017 -0.00103 98 2S 0.02340 -0.00063 0.04178 -0.00010 -0.00176 99 11 H 1S 0.00000 0.00000 -0.00003 0.00000 0.00000 100 2S 0.00020 0.00003 -0.00016 0.00001 0.00000 101 12 H 1S 0.00000 0.00004 -0.00001 0.00002 0.00000 102 2S 0.00009 0.00051 -0.00013 0.00041 0.00000 103 13 C 1S -0.00008 -0.00013 -0.00030 -0.00056 0.00000 104 2S 0.00439 0.00144 0.00327 0.01093 -0.00025 105 2PX 0.00232 0.00002 0.00013 0.00151 0.00003 106 2PY 0.00318 0.00032 -0.00170 0.00724 -0.00003 107 2PZ 0.02221 0.00379 0.00268 0.01200 -0.00056 108 3S 0.00013 0.00757 0.00649 -0.00033 -0.00076 109 3PX 0.00180 -0.00074 -0.00003 0.00122 -0.00020 110 3PY 0.00225 0.00009 -0.00189 0.00562 -0.00013 111 3PZ 0.01207 0.00263 0.00065 0.00191 -0.00046 112 4XX -0.00096 -0.00026 0.00001 0.00003 0.00002 113 4YY -0.00038 -0.00014 -0.00034 -0.00005 0.00000 114 4ZZ 0.00238 0.00065 0.00048 -0.00049 -0.00005 115 4XY 0.00004 0.00006 0.00001 0.00003 0.00000 116 4XZ 0.00013 0.00054 0.00001 0.00015 0.00000 117 4YZ 0.00035 0.00005 0.00023 0.00018 -0.00002 118 14 H 1S -0.00122 -0.00012 0.00015 -0.00578 0.00000 119 2S -0.00380 -0.00091 0.00030 -0.01806 -0.00007 120 15 H 1S -0.00230 -0.00206 0.00009 0.00032 0.00003 121 2S -0.01153 -0.01242 -0.00013 0.00542 0.00057 122 16 C 1S 0.00002 0.00001 0.00005 0.00001 0.00000 123 2S -0.00040 -0.00009 -0.00095 -0.00046 0.00000 124 2PX -0.00011 -0.00005 0.00000 0.00006 0.00000 125 2PY -0.00123 -0.00020 -0.00108 -0.00158 0.00000 126 2PZ 0.00017 -0.00019 0.00178 -0.00044 0.00000 127 3S -0.00142 -0.00184 -0.00547 0.00200 -0.00002 128 3PX -0.00033 0.00051 -0.00015 0.00022 0.00000 129 3PY -0.00425 -0.00083 -0.00385 -0.00215 -0.00003 130 3PZ 0.00049 -0.00062 0.00275 -0.00015 -0.00003 131 4XX 0.00001 0.00001 -0.00005 0.00000 0.00000 132 4YY 0.00002 0.00003 0.00004 -0.00010 0.00000 133 4ZZ -0.00002 -0.00004 0.00006 0.00006 0.00000 134 4XY 0.00001 0.00002 0.00000 0.00001 0.00000 135 4XZ 0.00000 -0.00002 0.00000 -0.00001 0.00000 136 4YZ 0.00005 0.00002 0.00002 0.00007 0.00000 137 17 H 1S 0.00004 0.00005 -0.00005 0.00002 0.00000 138 2S 0.00041 0.00088 -0.00025 -0.00009 0.00000 139 18 H 1S -0.00001 0.00000 -0.00011 0.00024 0.00000 140 2S 0.00004 0.00006 -0.00014 0.00192 0.00001 141 19 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 142 2S 0.00004 0.00008 0.00001 -0.00002 0.00000 143 2PX -0.00039 -0.00078 -0.00007 -0.00008 0.00000 144 2PY -0.00002 0.00002 0.00001 0.00000 0.00000 145 2PZ -0.00005 -0.00006 -0.00001 0.00011 0.00000 146 3S 0.00004 0.00079 0.00005 -0.00007 -0.00001 147 3PX -0.00341 -0.00509 -0.00042 -0.00053 0.00003 148 3PY -0.00013 0.00011 0.00010 -0.00002 0.00000 149 3PZ -0.00044 -0.00047 -0.00005 0.00119 0.00000 150 4XX -0.00002 0.00010 0.00000 0.00001 0.00000 151 4YY 0.00002 -0.00003 0.00000 0.00000 0.00000 152 4ZZ 0.00000 -0.00005 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 158 2PX 0.00000 0.00001 -0.00001 0.00000 0.00000 159 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00007 -0.00005 -0.00008 -0.00001 0.00000 162 3PX -0.00007 0.00013 -0.00022 0.00000 0.00000 163 3PY -0.00007 0.00009 -0.00003 0.00000 0.00000 164 3PZ -0.00001 0.00000 -0.00002 0.00002 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00001 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00002 0.00001 0.00001 -0.00001 0.00000 174 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00009 0.00016 0.00004 -0.00002 0.00000 177 3PX 0.00002 -0.00008 -0.00005 -0.00002 0.00000 178 3PY -0.00005 -0.00006 0.00000 0.00000 0.00000 179 3PZ 0.00002 0.00004 0.00002 0.00010 0.00000 180 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00001 0.00001 0.00001 0.00000 0.00000 187 2S 0.00037 0.00025 0.00025 -0.00019 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00003 -0.00003 -0.00002 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 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S -0.00002 0.00003 0.00000 0.00002 0.00000 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 -0.00001 0.00006 0.00000 0.00005 0.00000 96 2S -0.00035 0.00070 -0.00002 0.00009 -0.00002 97 10 H 1S 0.00754 -0.00119 0.00009 0.00001 0.00008 98 2S 0.00684 -0.00308 0.00002 0.00000 0.00001 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 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00001 -0.00008 0.00000 -0.00002 -0.00004 104 2S -0.00028 0.00173 0.00008 0.00027 0.00071 105 2PX -0.00004 0.00057 0.00002 0.00055 0.00018 106 2PY -0.00005 0.00113 0.00000 0.00016 0.00007 107 2PZ -0.00047 -0.00015 0.00023 0.00036 0.00127 108 3S -0.00147 0.00324 0.00007 0.00015 0.00037 109 3PX -0.00007 0.00038 0.00002 0.00045 0.00004 110 3PY -0.00035 0.00081 0.00000 0.00003 0.00015 111 3PZ -0.00095 0.00011 0.00007 0.00003 0.00018 112 4XX -0.00001 0.00000 0.00000 0.00000 -0.00003 113 4YY 0.00002 -0.00008 0.00000 -0.00001 0.00000 114 4ZZ -0.00006 0.00007 0.00000 -0.00001 -0.00002 115 4XY 0.00000 0.00001 0.00000 0.00002 0.00000 116 4XZ -0.00001 -0.00007 0.00001 -0.00005 0.00001 117 4YZ 0.00000 -0.00007 0.00000 0.00000 0.00000 118 14 H 1S 0.00000 0.00014 0.00000 0.00002 0.00000 119 2S -0.00012 0.00070 0.00000 0.00008 -0.00003 120 15 H 1S 0.00000 0.00001 0.00000 0.00008 0.00000 121 2S -0.00014 -0.00023 -0.00001 0.00030 -0.00002 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00001 0.00000 0.00000 0.00000 0.00001 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 2PY 0.00005 -0.00001 0.00000 0.00000 0.00005 126 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 3S 0.00026 -0.00011 0.00001 0.00000 0.00006 128 3PX 0.00001 0.00000 0.00000 -0.00001 0.00000 129 3PY 0.00058 -0.00029 0.00001 -0.00001 0.00017 130 3PZ 0.00000 0.00001 0.00000 0.00000 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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S -0.00001 0.00001 0.00000 0.00000 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S -0.00002 0.00000 0.00000 0.00000 -0.00001 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 91 92 93 94 95 91 7 H 1S 0.21549 92 2S 0.10063 0.12398 93 8 H 1S 0.00000 0.00000 0.21693 94 2S 0.00000 0.00002 0.11783 0.17163 95 9 H 1S 0.00000 0.00003 -0.00001 -0.00093 0.21693 96 2S 0.00000 0.00027 -0.00093 -0.00553 0.11783 97 10 H 1S 0.00000 -0.00011 0.00000 0.00000 -0.00001 98 2S -0.00011 -0.00016 0.00000 -0.00014 -0.00105 99 11 H 1S 0.00000 0.00000 -0.00001 -0.00104 0.00000 100 2S 0.00000 -0.00003 -0.00105 -0.00589 0.00000 101 12 H 1S 0.00000 -0.00015 0.00000 0.00000 0.00000 102 2S -0.00015 0.00011 0.00003 0.00027 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00002 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00004 0.00000 0.00000 0.00000 108 3S -0.00001 -0.00002 0.00000 -0.00001 0.00008 109 3PX -0.00002 -0.00010 0.00000 -0.00005 0.00002 110 3PY 0.00000 0.00003 0.00000 -0.00001 0.00001 111 3PZ 0.00002 0.00049 0.00000 -0.00008 0.00020 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 -0.00006 0.00000 0.00000 0.00000 120 15 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 121 2S 0.00003 0.00048 0.00000 0.00002 0.00000 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 123 2S 0.00000 0.00000 0.00000 0.00008 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00009 0.00000 125 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 126 2PZ 0.00000 0.00000 0.00000 0.00033 0.00000 127 3S 0.00000 0.00014 0.00008 0.00142 0.00000 128 3PX 0.00000 -0.00002 0.00002 0.00048 0.00000 129 3PY 0.00000 0.00008 0.00001 0.00015 0.00000 130 3PZ 0.00000 0.00006 0.00020 0.00283 0.00000 131 4XX 0.00000 0.00000 0.00000 -0.00001 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 -0.00001 0.00000 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 138 2S 0.00000 -0.00005 0.00000 -0.00019 0.00000 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 140 2S 0.00000 0.00000 0.00000 -0.00005 0.00000 141 19 O 1S 0.00000 0.00016 0.00000 0.00000 0.00000 142 2S -0.00006 -0.00225 0.00000 0.00000 0.00000 143 2PX -0.00004 -0.00058 0.00000 0.00000 0.00000 144 2PY -0.00001 -0.00012 0.00000 0.00000 0.00000 145 2PZ -0.00014 -0.00326 0.00000 0.00000 0.00000 146 3S -0.00308 -0.01369 0.00000 0.00000 0.00000 147 3PX -0.00017 0.00034 0.00000 0.00000 0.00000 148 3PY -0.00010 -0.00030 0.00000 0.00000 0.00000 149 3PZ -0.00288 -0.01158 0.00000 0.00000 0.00000 150 4XX 0.00003 0.00011 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00015 0.00000 0.00000 0.00000 152 4ZZ 0.00008 0.00047 0.00000 0.00000 0.00000 153 4XY 0.00001 0.00002 0.00000 0.00000 0.00000 154 4XZ 0.00006 0.00007 0.00000 0.00000 0.00000 155 4YZ 0.00001 0.00004 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00003 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00010 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00014 0.00000 0.00000 0.00000 160 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 161 3S 0.00001 0.00029 0.00000 0.00000 0.00000 162 3PX 0.00002 0.00085 0.00000 -0.00001 0.00000 163 3PY 0.00003 0.00122 0.00000 0.00000 0.00000 164 3PZ 0.00000 -0.00018 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00002 0.00000 0.00000 0.00000 167 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00020 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00020 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00017 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00029 0.00000 0.00000 0.00000 176 3S 0.00014 0.00131 0.00000 0.00000 0.00000 177 3PX 0.00015 0.00123 0.00000 0.00000 0.00000 178 3PY 0.00018 0.00115 0.00000 0.00000 0.00000 179 3PZ 0.00008 0.00056 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00001 0.00000 0.00000 0.00000 182 4ZZ 0.00000 -0.00003 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 187 2S -0.00001 -0.00038 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00008 0.00000 0.00000 0.00000 96 97 98 99 100 96 2S 0.17164 97 10 H 1S -0.00104 0.21714 98 2S -0.00589 0.11577 0.16496 99 11 H 1S 0.00000 0.00000 0.00000 0.21714 100 2S -0.00014 0.00000 0.00000 0.11577 0.16496 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00011 102 2S 0.00002 0.00000 -0.00003 -0.00011 -0.00016 103 13 C 1S 0.00000 0.00000 0.00016 0.00000 0.00000 104 2S 0.00008 -0.00013 -0.00247 0.00000 0.00006 105 2PX 0.00009 -0.00001 -0.00020 0.00000 0.00000 106 2PY 0.00001 -0.00028 -0.00446 0.00000 0.00029 107 2PZ 0.00033 -0.00025 -0.00431 0.00000 0.00004 108 3S 0.00142 -0.00400 -0.01623 0.00007 0.00130 109 3PX 0.00048 -0.00014 -0.00051 0.00000 0.00003 110 3PY 0.00015 -0.00097 -0.00527 0.00023 0.00301 111 3PZ 0.00283 -0.00282 -0.00972 0.00000 0.00018 112 4XX -0.00001 0.00000 -0.00003 0.00000 0.00000 113 4YY 0.00000 0.00004 0.00065 0.00000 0.00000 114 4ZZ 0.00000 -0.00001 -0.00038 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 116 4XZ -0.00001 0.00000 -0.00001 0.00000 0.00000 117 4YZ 0.00000 0.00004 0.00010 0.00000 -0.00001 118 14 H 1S 0.00000 0.00000 -0.00015 0.00000 0.00000 119 2S -0.00005 -0.00017 -0.00034 0.00000 -0.00011 120 15 H 1S 0.00000 -0.00001 -0.00027 0.00000 0.00000 121 2S -0.00019 -0.00039 -0.00001 0.00000 -0.00015 122 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00016 123 2S 0.00000 0.00000 0.00006 -0.00013 -0.00247 124 2PX 0.00000 0.00000 0.00000 -0.00001 -0.00020 125 2PY 0.00000 0.00000 0.00029 -0.00028 -0.00446 126 2PZ 0.00000 0.00000 0.00004 -0.00025 -0.00431 127 3S -0.00001 0.00007 0.00130 -0.00400 -0.01623 128 3PX -0.00005 0.00000 0.00003 -0.00014 -0.00051 129 3PY -0.00001 0.00023 0.00301 -0.00097 -0.00527 130 3PZ -0.00008 0.00000 0.00018 -0.00282 -0.00972 131 4XX 0.00000 0.00000 0.00000 0.00000 -0.00003 132 4YY 0.00000 0.00000 0.00000 0.00004 0.00065 133 4ZZ 0.00000 0.00000 0.00000 -0.00001 -0.00038 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 135 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00001 136 4YZ 0.00000 0.00000 -0.00001 0.00004 0.00010 137 17 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00027 138 2S 0.00002 0.00000 -0.00015 -0.00039 -0.00001 139 18 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00015 140 2S 0.00000 0.00000 -0.00011 -0.00017 -0.00034 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00002 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00002 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00026 0.00000 0.00000 147 3PX -0.00001 0.00000 0.00011 0.00000 -0.00001 148 3PY 0.00000 0.00000 0.00012 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 150 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00002 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00002 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00026 162 3PX 0.00000 0.00000 -0.00001 0.00000 0.00011 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00012 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00001 165 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 -0.00001 0.00000 -0.00001 177 3PX 0.00000 0.00000 -0.00001 0.00000 -0.00001 178 3PY 0.00000 0.00000 -0.00001 0.00000 -0.00001 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00001 0.00000 0.00001 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 102 103 104 105 101 12 H 1S 0.21549 102 2S 0.10063 0.12398 103 13 C 1S 0.00000 0.00000 2.05092 104 2S 0.00000 0.00000 -0.01170 0.30682 105 2PX 0.00000 0.00000 0.00000 0.00000 0.41188 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 0.00014 -0.03425 0.22724 0.00000 109 3PX 0.00000 -0.00002 0.00000 0.00000 0.10594 110 3PY 0.00000 0.00008 0.00000 0.00000 0.00000 111 3PZ 0.00000 0.00006 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 -0.00141 0.00014 0.00000 113 4YY 0.00000 0.00000 -0.00123 -0.00365 0.00000 114 4ZZ 0.00000 0.00000 -0.00129 -0.00249 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 H 1S 0.00000 0.00000 -0.00166 0.02734 0.04269 119 2S 0.00000 0.00000 -0.00064 0.00994 0.02852 120 15 H 1S 0.00000 0.00000 -0.00170 0.02785 0.07932 121 2S 0.00000 -0.00005 -0.00043 0.00951 0.05032 122 16 C 1S 0.00000 0.00000 0.00000 -0.00013 0.00000 123 2S 0.00000 0.00002 -0.00013 0.00349 0.00000 124 2PX 0.00000 0.00001 0.00000 0.00000 -0.00005 125 2PY 0.00000 0.00000 -0.00105 0.02291 0.00000 126 2PZ 0.00000 0.00004 0.00000 0.00000 0.00000 127 3S -0.00001 -0.00002 0.00028 0.00260 0.00000 128 3PX -0.00002 -0.00010 0.00000 0.00000 -0.00093 129 3PY 0.00000 0.00003 -0.00147 0.02052 0.00000 130 3PZ 0.00002 0.00049 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 0.00000 -0.00023 0.00000 132 4YY 0.00000 0.00000 -0.00011 0.00250 0.00000 133 4ZZ 0.00000 -0.00001 0.00000 -0.00022 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 0.00114 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 H 1S 0.00000 0.00001 0.00000 -0.00011 -0.00012 138 2S 0.00003 0.00048 0.00009 -0.00166 -0.00196 139 18 H 1S 0.00000 0.00000 0.00000 -0.00013 -0.00008 140 2S 0.00000 -0.00006 0.00013 -0.00208 -0.00121 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00003 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00010 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00014 0.00000 0.00000 0.00000 145 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 146 3S 0.00001 0.00029 0.00000 -0.00001 -0.00010 147 3PX 0.00002 0.00085 0.00000 -0.00005 -0.00014 148 3PY 0.00003 0.00122 0.00000 0.00000 0.00000 149 3PZ 0.00000 -0.00018 0.00000 -0.00002 -0.00010 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00002 0.00000 0.00000 0.00000 152 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00016 0.00000 0.00000 0.00000 157 2S -0.00006 -0.00225 0.00000 0.00000 0.00000 158 2PX -0.00004 -0.00058 0.00000 0.00000 0.00000 159 2PY -0.00001 -0.00012 0.00000 0.00000 0.00000 160 2PZ -0.00014 -0.00326 0.00000 0.00000 0.00000 161 3S -0.00308 -0.01369 0.00000 0.00000 0.00000 162 3PX -0.00017 0.00034 0.00000 0.00001 0.00000 163 3PY -0.00010 -0.00030 0.00000 0.00000 0.00000 164 3PZ -0.00288 -0.01158 0.00000 0.00000 0.00000 165 4XX 0.00003 0.00011 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00015 0.00000 0.00000 0.00000 167 4ZZ 0.00008 0.00047 0.00000 0.00000 0.00000 168 4XY 0.00001 0.00002 0.00000 0.00000 0.00000 169 4XZ 0.00006 0.00007 0.00000 0.00000 0.00000 170 4YZ 0.00001 0.00004 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00020 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00020 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00017 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00029 0.00000 0.00000 0.00000 176 3S 0.00014 0.00131 0.00000 -0.00002 -0.00006 177 3PX 0.00015 0.00123 0.00000 0.00002 0.00014 178 3PY 0.00018 0.00115 0.00000 0.00000 0.00003 179 3PZ 0.00008 0.00056 0.00000 -0.00001 -0.00013 180 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00001 0.00000 0.00000 0.00000 182 4ZZ 0.00000 -0.00003 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 187 2S -0.00001 -0.00038 0.00000 -0.00002 0.00018 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00008 0.00000 0.00000 0.00000 106 107 108 109 110 106 2PY 0.38125 107 2PZ 0.00000 0.38896 108 3S 0.00000 0.00000 0.30208 109 3PX 0.00000 0.00000 0.00000 0.08584 110 3PY 0.09887 0.00000 0.00000 0.00000 0.08588 111 3PZ 0.00000 0.10248 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 -0.00022 0.00000 0.00000 113 4YY 0.00000 0.00000 -0.00323 0.00000 0.00000 114 4ZZ 0.00000 0.00000 -0.00010 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 H 1S 0.00966 0.04454 0.03402 0.02648 0.00710 119 2S 0.00581 0.02892 0.01332 0.02784 0.00656 120 15 H 1S 0.01254 0.00674 0.03034 0.05114 0.00787 121 2S 0.00744 0.00404 -0.00477 0.04890 0.00646 122 16 C 1S -0.00105 0.00000 0.00028 0.00000 -0.00147 123 2S 0.02291 0.00000 0.00260 0.00000 0.02052 124 2PX 0.00000 0.00000 0.00000 -0.00093 0.00000 125 2PY 0.07729 0.00000 0.02762 0.00000 0.03407 126 2PZ 0.00000 0.00042 0.00000 0.00000 0.00000 127 3S 0.02762 0.00000 -0.01566 0.00000 0.01958 128 3PX 0.00000 0.00000 0.00000 -0.00257 0.00000 129 3PY 0.03407 0.00000 0.01958 0.00000 0.01442 130 3PZ 0.00000 -0.00123 0.00000 0.00000 0.00000 131 4XX -0.00056 0.00000 -0.00079 0.00000 -0.00111 132 4YY 0.00251 0.00000 0.00369 0.00000 0.00189 133 4ZZ -0.00064 0.00000 -0.00124 0.00000 -0.00167 134 4XY 0.00000 0.00000 0.00000 0.00074 0.00000 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00000 0.00104 0.00000 0.00000 0.00000 137 17 H 1S -0.00032 0.00000 -0.00122 -0.00112 -0.00278 138 2S -0.00463 -0.00003 -0.00090 -0.00407 -0.00869 139 18 H 1S -0.00033 -0.00008 -0.00222 -0.00056 -0.00202 140 2S -0.00487 -0.00081 -0.00793 -0.00243 -0.00760 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 -0.00009 -0.00007 -0.00001 143 2PX 0.00000 0.00000 -0.00006 -0.00019 -0.00004 144 2PY 0.00000 0.00000 0.00002 0.00004 -0.00002 145 2PZ 0.00000 0.00000 -0.00006 -0.00031 -0.00004 146 3S 0.00000 -0.00004 -0.00078 -0.00100 -0.00007 147 3PX -0.00001 -0.00005 -0.00049 -0.00116 -0.00026 148 3PY 0.00000 -0.00001 0.00015 0.00019 -0.00015 149 3PZ -0.00001 0.00002 -0.00046 -0.00169 -0.00024 150 4XX 0.00000 0.00000 -0.00001 -0.00001 -0.00001 151 4YY 0.00000 0.00000 0.00001 0.00002 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00001 0.00002 0.00000 155 4YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00002 -0.00001 -0.00002 159 2PY 0.00000 0.00000 0.00000 -0.00002 0.00000 160 2PZ 0.00000 0.00000 0.00001 0.00002 -0.00001 161 3S 0.00000 0.00000 0.00006 -0.00005 -0.00001 162 3PX 0.00000 0.00001 0.00035 -0.00009 -0.00017 163 3PY 0.00000 0.00000 -0.00004 -0.00024 -0.00002 164 3PZ 0.00000 0.00000 0.00015 0.00012 -0.00007 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 -0.00001 -0.00004 0.00000 173 2PX 0.00000 0.00000 -0.00002 -0.00005 0.00000 174 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 175 2PZ 0.00000 0.00000 -0.00003 -0.00006 0.00001 176 3S 0.00000 0.00000 -0.00008 -0.00026 0.00001 177 3PX 0.00002 0.00001 0.00016 0.00044 0.00013 178 3PY 0.00000 0.00000 0.00001 -0.00001 -0.00001 179 3PZ 0.00001 0.00000 -0.00013 -0.00058 0.00006 180 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 -0.00008 -0.00006 0.00000 187 2S -0.00001 0.00000 -0.00056 0.00109 -0.00010 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00002 0.00001 0.00001 111 112 113 114 115 111 3PZ 0.09074 112 4XX 0.00000 0.00113 113 4YY 0.00000 -0.00011 0.00121 114 4ZZ 0.00000 -0.00006 -0.00011 0.00105 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00096 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 H 1S 0.02916 0.00062 -0.00087 0.00098 0.00087 119 2S 0.02842 0.00050 -0.00155 0.00172 0.00021 120 15 H 1S 0.00550 0.00438 -0.00079 -0.00093 0.00195 121 2S 0.00408 0.00431 -0.00102 -0.00230 0.00042 122 16 C 1S 0.00000 0.00000 -0.00011 0.00000 0.00000 123 2S 0.00000 -0.00023 0.00250 -0.00022 0.00000 124 2PX 0.00000 0.00000 0.00000 0.00000 0.00114 125 2PY 0.00000 -0.00056 0.00251 -0.00064 0.00000 126 2PZ -0.00123 0.00000 0.00000 0.00000 0.00000 127 3S 0.00000 -0.00079 0.00369 -0.00124 0.00000 128 3PX 0.00000 0.00000 0.00000 0.00000 0.00074 129 3PY 0.00000 -0.00111 0.00189 -0.00167 0.00000 130 3PZ -0.00415 0.00000 0.00000 0.00000 0.00000 131 4XX 0.00000 0.00000 -0.00001 0.00000 0.00000 132 4YY 0.00000 -0.00001 -0.00002 -0.00001 0.00000 133 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 134 4XY 0.00000 0.00000 0.00000 0.00000 -0.00016 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00072 0.00000 0.00000 0.00000 0.00000 137 17 H 1S -0.00020 0.00000 0.00002 0.00000 0.00005 138 2S -0.00031 -0.00005 -0.00016 0.00020 0.00028 139 18 H 1S -0.00076 0.00000 0.00003 0.00000 0.00003 140 2S -0.00160 0.00013 -0.00003 0.00003 0.00017 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00001 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00028 0.00000 0.00000 0.00000 0.00000 144 2PY -0.00002 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00019 0.00000 0.00000 0.00000 0.00000 146 3S -0.00014 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00167 0.00001 0.00000 -0.00001 0.00000 148 3PY -0.00013 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00090 0.00000 0.00000 -0.00001 0.00000 150 4XX 0.00002 0.00000 0.00000 0.00000 0.00000 151 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00012 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00008 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00010 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX -0.00001 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S -0.00001 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00005 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00002 0.00000 0.00000 0.00000 0.00000 179 3PZ -0.00007 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00001 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00006 0.00001 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00002 0.00000 0.00000 0.00000 0.00000 116 117 118 119 120 116 4XZ 0.00130 117 4YZ 0.00000 0.00091 118 14 H 1S 0.00338 0.00098 0.21529 119 2S 0.00078 0.00021 0.11394 0.15894 120 15 H 1S 0.00105 0.00021 -0.00052 -0.00818 0.21593 121 2S 0.00029 0.00003 -0.00841 -0.02546 0.11187 122 16 C 1S 0.00000 0.00000 0.00000 0.00013 0.00000 123 2S 0.00000 0.00000 -0.00013 -0.00208 -0.00011 124 2PX 0.00000 0.00000 -0.00008 -0.00121 -0.00012 125 2PY 0.00000 0.00000 -0.00033 -0.00487 -0.00032 126 2PZ 0.00000 0.00104 -0.00008 -0.00081 0.00000 127 3S 0.00000 0.00000 -0.00222 -0.00793 -0.00122 128 3PX 0.00000 0.00000 -0.00056 -0.00243 -0.00112 129 3PY 0.00000 0.00000 -0.00202 -0.00760 -0.00278 130 3PZ 0.00000 0.00072 -0.00076 -0.00160 -0.00020 131 4XX 0.00000 0.00000 0.00000 0.00013 0.00000 132 4YY 0.00000 0.00000 0.00003 -0.00003 0.00002 133 4ZZ 0.00000 0.00000 0.00000 0.00003 0.00000 134 4XY 0.00000 0.00000 0.00003 0.00017 0.00005 135 4XZ 0.00000 0.00000 0.00000 -0.00003 0.00000 136 4YZ 0.00000 -0.00012 0.00003 0.00015 0.00000 137 17 H 1S 0.00000 0.00000 0.00000 0.00039 -0.00003 138 2S -0.00001 0.00002 0.00041 0.00361 -0.00165 139 18 H 1S 0.00000 0.00003 -0.00005 -0.00202 0.00000 140 2S -0.00003 0.00015 -0.00202 -0.00836 0.00039 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00004 -0.00014 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 -0.00002 -0.00002 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 -0.00001 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00002 -0.00011 177 3PX 0.00000 0.00000 0.00000 -0.00002 0.00017 178 3PY 0.00000 0.00000 0.00000 -0.00001 0.00009 179 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00022 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00008 0.00030 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00001 121 122 123 124 125 121 2S 0.16628 122 16 C 1S 0.00009 2.05092 123 2S -0.00166 -0.01170 0.30682 124 2PX -0.00196 0.00000 0.00000 0.41188 125 2PY -0.00463 0.00000 0.00000 0.00000 0.38125 126 2PZ -0.00003 0.00000 0.00000 0.00000 0.00000 127 3S -0.00090 -0.03425 0.22724 0.00000 0.00000 128 3PX -0.00407 0.00000 0.00000 0.10594 0.00000 129 3PY -0.00869 0.00000 0.00000 0.00000 0.09887 130 3PZ -0.00031 0.00000 0.00000 0.00000 0.00000 131 4XX -0.00005 -0.00141 0.00014 0.00000 0.00000 132 4YY -0.00016 -0.00123 -0.00365 0.00000 0.00000 133 4ZZ 0.00020 -0.00129 -0.00249 0.00000 0.00000 134 4XY 0.00028 0.00000 0.00000 0.00000 0.00000 135 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 136 4YZ 0.00002 0.00000 0.00000 0.00000 0.00000 137 17 H 1S -0.00165 -0.00170 0.02785 0.07932 0.01254 138 2S -0.00907 -0.00043 0.00951 0.05032 0.00744 139 18 H 1S 0.00041 -0.00166 0.02734 0.04269 0.00966 140 2S 0.00361 -0.00064 0.00994 0.02852 0.00581 141 19 O 1S -0.00001 0.00000 0.00000 0.00000 0.00000 142 2S 0.00014 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00058 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00128 0.00000 0.00000 0.00000 0.00000 146 3S 0.00092 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00353 0.00000 0.00001 0.00000 0.00000 148 3PY 0.00007 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00671 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY -0.00008 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00005 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00004 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00001 0.00000 0.00000 0.00000 0.00000 158 2PX -0.00001 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 160 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 161 3S 0.00016 0.00000 -0.00001 -0.00010 0.00000 162 3PX -0.00013 0.00000 -0.00005 -0.00014 -0.00001 163 3PY 0.00017 0.00000 0.00000 0.00000 0.00000 164 3PZ -0.00008 0.00000 -0.00002 -0.00010 -0.00001 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00001 0.00000 0.00000 0.00000 0.00000 172 2S -0.00016 0.00000 0.00000 0.00000 0.00000 173 2PX -0.00018 0.00000 0.00000 0.00000 0.00000 174 2PY -0.00006 0.00000 0.00000 0.00000 0.00000 175 2PZ -0.00001 0.00000 0.00000 0.00000 0.00000 176 3S -0.00101 0.00000 -0.00002 -0.00006 0.00000 177 3PX 0.00046 0.00000 0.00002 0.00014 0.00002 178 3PY 0.00062 0.00000 0.00000 0.00003 0.00000 179 3PZ 0.00007 0.00000 -0.00001 -0.00013 0.00001 180 4XX 0.00004 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00002 0.00000 0.00000 0.00000 0.00000 182 4ZZ -0.00004 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00002 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00002 0.00000 0.00000 0.00000 0.00000 186 22 H 1S -0.00038 0.00000 0.00000 0.00000 0.00000 187 2S -0.00171 0.00000 -0.00002 0.00018 -0.00001 188 23 H 1S 0.00001 0.00000 0.00000 0.00000 0.00000 189 2S 0.00025 0.00000 0.00000 0.00000 0.00000 126 127 128 129 130 126 2PZ 0.38896 127 3S 0.00000 0.30208 128 3PX 0.00000 0.00000 0.08584 129 3PY 0.00000 0.00000 0.00000 0.08588 130 3PZ 0.10248 0.00000 0.00000 0.00000 0.09074 131 4XX 0.00000 -0.00022 0.00000 0.00000 0.00000 132 4YY 0.00000 -0.00323 0.00000 0.00000 0.00000 133 4ZZ 0.00000 -0.00010 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 H 1S 0.00674 0.03034 0.05114 0.00787 0.00550 138 2S 0.00404 -0.00477 0.04890 0.00646 0.00408 139 18 H 1S 0.04454 0.03402 0.02648 0.00710 0.02916 140 2S 0.02892 0.01332 0.02784 0.00656 0.02842 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00002 -0.00001 -0.00002 0.00000 144 2PY 0.00000 0.00000 -0.00002 0.00000 0.00001 145 2PZ 0.00000 0.00001 0.00002 -0.00001 0.00000 146 3S 0.00000 0.00006 -0.00005 -0.00001 0.00012 147 3PX 0.00001 0.00035 -0.00009 -0.00017 0.00008 148 3PY 0.00000 -0.00004 -0.00024 -0.00002 0.00010 149 3PZ 0.00000 0.00015 0.00012 -0.00007 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 -0.00009 -0.00007 -0.00001 0.00001 158 2PX 0.00000 -0.00006 -0.00019 -0.00004 0.00028 159 2PY 0.00000 0.00002 0.00004 -0.00002 -0.00002 160 2PZ 0.00000 -0.00006 -0.00031 -0.00004 0.00019 161 3S -0.00004 -0.00078 -0.00100 -0.00007 -0.00014 162 3PX -0.00005 -0.00049 -0.00116 -0.00026 0.00167 163 3PY -0.00001 0.00015 0.00019 -0.00015 -0.00013 164 3PZ 0.00002 -0.00046 -0.00169 -0.00024 0.00090 165 4XX 0.00000 -0.00001 -0.00001 -0.00001 0.00002 166 4YY 0.00000 0.00001 0.00002 0.00000 -0.00001 167 4ZZ 0.00000 0.00000 0.00001 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00001 0.00002 0.00000 0.00001 170 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 -0.00001 -0.00004 0.00000 0.00000 173 2PX 0.00000 -0.00002 -0.00005 0.00000 -0.00001 174 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 175 2PZ 0.00000 -0.00003 -0.00006 0.00001 0.00000 176 3S 0.00000 -0.00008 -0.00026 0.00001 -0.00001 177 3PX 0.00001 0.00016 0.00044 0.00013 0.00005 178 3PY 0.00000 0.00001 -0.00001 -0.00001 0.00002 179 3PZ 0.00000 -0.00013 -0.00058 0.00006 -0.00007 180 4XX 0.00000 0.00001 0.00000 0.00000 0.00001 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 -0.00008 -0.00006 0.00000 0.00000 187 2S 0.00000 -0.00056 0.00109 -0.00010 0.00006 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00002 0.00001 0.00001 0.00002 131 132 133 134 135 131 4XX 0.00113 132 4YY -0.00011 0.00121 133 4ZZ -0.00006 -0.00011 0.00105 134 4XY 0.00000 0.00000 0.00000 0.00096 135 4XZ 0.00000 0.00000 0.00000 0.00000 0.00130 136 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 137 17 H 1S 0.00438 -0.00079 -0.00093 0.00195 0.00105 138 2S 0.00431 -0.00102 -0.00230 0.00042 0.00029 139 18 H 1S 0.00062 -0.00087 0.00098 0.00087 0.00338 140 2S 0.00050 -0.00155 0.00172 0.00021 0.00078 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00000 0.00000 0.00000 143 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 3S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S 0.00000 0.00000 0.00000 0.00000 0.00000 162 3PX 0.00001 0.00000 -0.00001 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 172 2S 0.00000 0.00000 0.00000 0.00000 0.00000 173 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 3S 0.00000 0.00000 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00001 0.00000 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 136 137 138 139 140 136 4YZ 0.00091 137 17 H 1S 0.00021 0.21593 138 2S 0.00003 0.11187 0.16628 139 18 H 1S 0.00098 -0.00052 -0.00841 0.21529 140 2S 0.00021 -0.00818 -0.02546 0.11394 0.15894 141 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 142 2S 0.00000 0.00000 0.00001 0.00000 0.00000 143 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 144 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 145 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 146 3S 0.00000 0.00000 0.00016 0.00000 0.00000 147 3PX 0.00000 0.00000 -0.00013 0.00000 -0.00001 148 3PY 0.00000 0.00000 0.00017 0.00000 0.00000 149 3PZ 0.00000 0.00000 -0.00008 0.00000 -0.00001 150 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 151 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 152 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 157 2S 0.00000 0.00000 0.00014 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00058 0.00000 0.00000 159 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00128 0.00000 0.00000 161 3S 0.00000 -0.00014 0.00092 0.00000 0.00004 162 3PX 0.00000 0.00000 0.00353 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00007 0.00000 0.00000 164 3PZ 0.00000 -0.00002 0.00671 0.00000 -0.00002 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 -0.00008 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00005 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00004 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 0.00000 0.00001 0.00000 0.00000 172 2S 0.00000 0.00000 -0.00016 0.00000 0.00000 173 2PX 0.00000 0.00000 -0.00018 0.00000 0.00000 174 2PY 0.00000 0.00000 -0.00006 0.00000 0.00000 175 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 176 3S 0.00000 -0.00011 -0.00101 0.00000 0.00002 177 3PX 0.00000 0.00017 0.00046 0.00000 -0.00002 178 3PY 0.00000 0.00009 0.00062 0.00000 -0.00001 179 3PZ 0.00000 -0.00022 0.00007 0.00000 0.00000 180 4XX 0.00000 0.00000 0.00004 0.00000 0.00000 181 4YY 0.00000 0.00000 0.00002 0.00000 0.00000 182 4ZZ 0.00000 0.00000 -0.00004 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00002 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 -0.00038 0.00000 0.00000 187 2S 0.00000 0.00030 -0.00171 0.00000 0.00008 188 23 H 1S 0.00000 0.00000 0.00001 0.00000 0.00000 189 2S 0.00000 0.00001 0.00025 0.00000 0.00000 141 142 143 144 145 141 19 O 1S 2.07557 142 2S -0.04159 0.50359 143 2PX 0.00000 0.00000 0.64787 144 2PY 0.00000 0.00000 0.00000 0.66558 145 2PZ 0.00000 0.00000 0.00000 0.00000 0.71656 146 3S -0.04102 0.45247 0.00000 0.00000 0.00000 147 3PX 0.00000 0.00000 0.20359 0.00000 0.00000 148 3PY 0.00000 0.00000 0.00000 0.21181 0.00000 149 3PZ 0.00000 0.00000 0.00000 0.00000 0.23214 150 4XX -0.00051 -0.00156 0.00000 0.00000 0.00000 151 4YY -0.00042 -0.00456 0.00000 0.00000 0.00000 152 4ZZ -0.00047 -0.00300 0.00000 0.00000 0.00000 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00000 -0.00001 0.00000 -0.00009 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00002 0.00039 0.00000 -0.00113 0.00000 162 3PX 0.00000 0.00000 0.00005 0.00000 0.00000 163 3PY 0.00002 -0.00063 0.00000 -0.00629 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00014 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 -0.00001 -0.00005 -0.00022 -0.00005 172 2S -0.00001 0.00022 0.00252 0.01256 0.00249 173 2PX -0.00012 0.00238 -0.00015 0.01063 0.00213 174 2PY -0.00042 0.00832 0.00935 0.02341 0.01088 175 2PZ -0.00012 0.00236 0.00233 0.01133 -0.00004 176 3S 0.00106 -0.01601 0.00166 0.01000 0.00124 177 3PX 0.00013 -0.00145 0.00018 0.00431 0.00176 178 3PY -0.00015 0.00067 0.00391 0.00085 0.00527 179 3PZ 0.00011 -0.00118 0.00263 0.00439 0.00255 180 4XX 0.00001 -0.00028 0.00005 0.00007 0.00032 181 4YY -0.00008 0.00199 0.00137 -0.00048 0.00163 182 4ZZ 0.00001 -0.00022 0.00030 0.00008 0.00003 183 4XY -0.00004 0.00093 -0.00007 0.00225 0.00135 184 4XZ -0.00001 0.00019 -0.00001 0.00099 -0.00001 185 4YZ -0.00005 0.00114 0.00132 0.00250 -0.00012 186 22 H 1S 0.00000 -0.00004 0.00002 -0.00003 -0.00026 187 2S 0.00005 -0.00073 0.00089 -0.00090 -0.00755 188 23 H 1S 0.00000 -0.00005 -0.00023 -0.00003 0.00003 189 2S 0.00006 -0.00107 -0.00553 -0.00102 0.00091 146 147 148 149 150 146 3S 0.75619 147 3PX 0.00000 0.26575 148 3PY 0.00000 0.00000 0.26980 149 3PZ 0.00000 0.00000 0.00000 0.30855 150 4XX -0.00294 0.00000 0.00000 0.00000 0.00104 151 4YY -0.01283 0.00000 0.00000 0.00000 -0.00011 152 4ZZ -0.00452 0.00000 0.00000 0.00000 0.00001 153 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 154 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 20 O 1S -0.00002 0.00000 0.00002 0.00000 0.00000 157 2S 0.00039 0.00000 -0.00063 0.00000 0.00000 158 2PX 0.00000 0.00005 0.00000 0.00000 0.00000 159 2PY -0.00113 0.00000 -0.00629 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00014 0.00000 161 3S 0.00661 0.00000 -0.00515 0.00000 -0.00002 162 3PX 0.00000 0.00052 0.00000 0.00000 0.00000 163 3PY -0.00515 0.00000 -0.02517 0.00000 -0.00006 164 3PZ 0.00000 0.00000 0.00000 0.00162 0.00000 165 4XX -0.00002 0.00000 -0.00006 0.00000 0.00000 166 4YY -0.00029 0.00000 0.00002 0.00000 0.00000 167 4ZZ 0.00002 0.00000 -0.00005 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00084 -0.00032 -0.00300 -0.00029 0.00000 172 2S -0.01440 0.00325 0.02932 0.00287 -0.00010 173 2PX 0.00278 -0.00392 0.01404 0.00123 -0.00008 174 2PY 0.00788 0.00864 0.01970 0.01196 -0.00038 175 2PZ 0.00307 0.00160 0.01543 -0.00395 -0.00003 176 3S -0.06226 0.00174 0.02200 -0.00041 0.00031 177 3PX -0.00434 0.00062 0.00669 0.00233 -0.00032 178 3PY -0.00312 0.00456 -0.00009 0.00760 -0.00014 179 3PZ -0.00503 0.00430 0.00681 0.00838 -0.00005 180 4XX -0.00146 -0.00113 0.00042 0.00137 0.00003 181 4YY 0.00617 0.00172 -0.00079 0.00233 -0.00010 182 4ZZ -0.00165 0.00131 0.00022 -0.00138 -0.00003 183 4XY 0.00069 0.00056 0.00092 0.00087 0.00000 184 4XZ 0.00008 0.00004 0.00063 0.00003 0.00000 185 4YZ 0.00088 0.00085 0.00103 0.00060 -0.00006 186 22 H 1S -0.00186 0.00063 -0.00064 -0.00614 -0.00001 187 2S -0.00584 0.00420 -0.00312 -0.03000 -0.00022 188 23 H 1S -0.00164 -0.00522 -0.00040 0.00076 0.00010 189 2S -0.00219 -0.02178 -0.00267 0.00433 0.00072 151 152 153 154 155 151 4YY 0.00294 152 4ZZ -0.00008 0.00079 153 4XY 0.00000 0.00000 0.00161 154 4XZ 0.00000 0.00000 0.00000 0.00045 155 4YZ 0.00000 0.00000 0.00000 0.00000 0.00151 156 20 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 157 2S 0.00000 0.00000 0.00000 0.00000 0.00000 158 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 3S -0.00029 0.00002 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 163 3PY 0.00002 -0.00005 0.00000 0.00000 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 165 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 166 4YY 0.00003 0.00000 0.00000 0.00000 0.00000 167 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S -0.00016 0.00000 -0.00006 -0.00001 -0.00007 172 2S 0.00280 -0.00007 0.00072 0.00011 0.00087 173 2PX 0.00181 0.00001 0.00006 0.00003 0.00054 174 2PY 0.00191 -0.00017 0.00037 0.00010 0.00074 175 2PZ 0.00188 -0.00009 0.00043 0.00001 0.00002 176 3S 0.00289 0.00029 0.00025 0.00002 0.00030 177 3PX 0.00087 0.00001 0.00017 0.00007 0.00012 178 3PY 0.00032 0.00018 0.00004 -0.00001 0.00005 179 3PZ 0.00092 -0.00026 0.00013 0.00005 0.00021 180 4XX -0.00001 -0.00004 0.00000 0.00000 0.00000 181 4YY -0.00006 -0.00008 0.00009 -0.00005 0.00010 182 4ZZ 0.00002 0.00003 0.00000 0.00000 0.00000 183 4XY 0.00014 -0.00005 0.00000 0.00000 0.00010 184 4XZ 0.00015 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00018 0.00000 0.00007 0.00000 0.00000 186 22 H 1S 0.00000 0.00009 0.00000 0.00001 0.00003 187 2S -0.00014 0.00078 0.00002 0.00003 -0.00016 188 23 H 1S 0.00000 -0.00001 0.00003 0.00001 0.00000 189 2S -0.00028 -0.00023 -0.00009 0.00002 0.00001 156 157 158 159 160 156 20 O 1S 2.07557 157 2S -0.04159 0.50359 158 2PX 0.00000 0.00000 0.64787 159 2PY 0.00000 0.00000 0.00000 0.66558 160 2PZ 0.00000 0.00000 0.00000 0.00000 0.71656 161 3S -0.04102 0.45247 0.00000 0.00000 0.00000 162 3PX 0.00000 0.00000 0.20359 0.00000 0.00000 163 3PY 0.00000 0.00000 0.00000 0.21181 0.00000 164 3PZ 0.00000 0.00000 0.00000 0.00000 0.23214 165 4XX -0.00051 -0.00156 0.00000 0.00000 0.00000 166 4YY -0.00042 -0.00456 0.00000 0.00000 0.00000 167 4ZZ -0.00047 -0.00300 0.00000 0.00000 0.00000 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00000 -0.00001 -0.00005 -0.00022 -0.00005 172 2S -0.00001 0.00022 0.00252 0.01256 0.00249 173 2PX -0.00012 0.00238 -0.00015 0.01063 0.00213 174 2PY -0.00042 0.00832 0.00935 0.02341 0.01088 175 2PZ -0.00012 0.00236 0.00233 0.01133 -0.00004 176 3S 0.00106 -0.01601 0.00166 0.01000 0.00124 177 3PX 0.00013 -0.00145 0.00018 0.00431 0.00176 178 3PY -0.00015 0.00067 0.00391 0.00085 0.00527 179 3PZ 0.00011 -0.00118 0.00263 0.00439 0.00255 180 4XX 0.00001 -0.00028 0.00005 0.00007 0.00032 181 4YY -0.00008 0.00199 0.00137 -0.00048 0.00163 182 4ZZ 0.00001 -0.00022 0.00030 0.00008 0.00003 183 4XY -0.00004 0.00093 -0.00007 0.00225 0.00135 184 4XZ -0.00001 0.00019 -0.00001 0.00099 -0.00001 185 4YZ -0.00005 0.00114 0.00132 0.00250 -0.00012 186 22 H 1S 0.00000 -0.00004 0.00002 -0.00003 -0.00026 187 2S 0.00005 -0.00073 0.00089 -0.00090 -0.00755 188 23 H 1S 0.00000 -0.00005 -0.00023 -0.00003 0.00003 189 2S 0.00006 -0.00107 -0.00553 -0.00102 0.00091 161 162 163 164 165 161 3S 0.75619 162 3PX 0.00000 0.26575 163 3PY 0.00000 0.00000 0.26980 164 3PZ 0.00000 0.00000 0.00000 0.30855 165 4XX -0.00294 0.00000 0.00000 0.00000 0.00104 166 4YY -0.01283 0.00000 0.00000 0.00000 -0.00011 167 4ZZ -0.00452 0.00000 0.00000 0.00000 0.00001 168 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 21 C 1S 0.00084 -0.00032 -0.00300 -0.00029 0.00000 172 2S -0.01440 0.00325 0.02932 0.00287 -0.00010 173 2PX 0.00278 -0.00392 0.01404 0.00123 -0.00008 174 2PY 0.00788 0.00864 0.01970 0.01196 -0.00038 175 2PZ 0.00307 0.00160 0.01543 -0.00395 -0.00003 176 3S -0.06226 0.00174 0.02200 -0.00041 0.00031 177 3PX -0.00434 0.00062 0.00669 0.00233 -0.00032 178 3PY -0.00312 0.00456 -0.00009 0.00760 -0.00014 179 3PZ -0.00503 0.00430 0.00681 0.00838 -0.00005 180 4XX -0.00146 -0.00113 0.00042 0.00137 0.00003 181 4YY 0.00617 0.00172 -0.00079 0.00233 -0.00010 182 4ZZ -0.00165 0.00131 0.00022 -0.00138 -0.00003 183 4XY 0.00069 0.00056 0.00092 0.00087 0.00000 184 4XZ 0.00008 0.00004 0.00063 0.00003 0.00000 185 4YZ 0.00088 0.00085 0.00103 0.00060 -0.00006 186 22 H 1S -0.00186 0.00063 -0.00064 -0.00614 -0.00001 187 2S -0.00584 0.00420 -0.00312 -0.03000 -0.00022 188 23 H 1S -0.00164 -0.00522 -0.00040 0.00076 0.00010 189 2S -0.00219 -0.02178 -0.00267 0.00433 0.00072 166 167 168 169 170 166 4YY 0.00294 167 4ZZ -0.00008 0.00079 168 4XY 0.00000 0.00000 0.00161 169 4XZ 0.00000 0.00000 0.00000 0.00045 170 4YZ 0.00000 0.00000 0.00000 0.00000 0.00151 171 21 C 1S -0.00016 0.00000 -0.00006 -0.00001 -0.00007 172 2S 0.00280 -0.00007 0.00072 0.00011 0.00087 173 2PX 0.00181 0.00001 0.00006 0.00003 0.00054 174 2PY 0.00191 -0.00017 0.00037 0.00010 0.00074 175 2PZ 0.00188 -0.00009 0.00043 0.00001 0.00002 176 3S 0.00289 0.00029 0.00025 0.00002 0.00030 177 3PX 0.00087 0.00001 0.00017 0.00007 0.00012 178 3PY 0.00032 0.00018 0.00004 -0.00001 0.00005 179 3PZ 0.00092 -0.00026 0.00013 0.00005 0.00021 180 4XX -0.00001 -0.00004 0.00000 0.00000 0.00000 181 4YY -0.00006 -0.00008 0.00009 -0.00005 0.00010 182 4ZZ 0.00002 0.00003 0.00000 0.00000 0.00000 183 4XY 0.00014 -0.00005 0.00000 0.00000 0.00010 184 4XZ 0.00015 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00018 0.00000 0.00007 0.00000 0.00000 186 22 H 1S 0.00000 0.00009 0.00000 0.00001 0.00003 187 2S -0.00014 0.00078 0.00002 0.00003 -0.00016 188 23 H 1S 0.00000 -0.00001 0.00003 0.00001 0.00000 189 2S -0.00028 -0.00023 -0.00009 0.00002 0.00001 171 172 173 174 175 171 21 C 1S 2.04980 172 2S -0.01427 0.34292 173 2PX 0.00000 0.00000 0.42798 174 2PY 0.00000 0.00000 0.00000 0.29266 175 2PZ 0.00000 0.00000 0.00000 0.00000 0.42493 176 3S -0.02762 0.21130 0.00000 0.00000 0.00000 177 3PX 0.00000 0.00000 0.08852 0.00000 0.00000 178 3PY 0.00000 0.00000 0.00000 0.04043 0.00000 179 3PZ 0.00000 0.00000 0.00000 0.00000 0.08274 180 4XX -0.00141 0.00019 0.00000 0.00000 0.00000 181 4YY -0.00104 -0.00728 0.00000 0.00000 0.00000 182 4ZZ -0.00140 -0.00030 0.00000 0.00000 0.00000 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S -0.00189 0.03298 0.00486 0.00000 0.09575 187 2S -0.00105 0.01599 0.00407 0.00000 0.05687 188 23 H 1S -0.00189 0.03334 0.09738 0.00000 0.00388 189 2S -0.00112 0.01681 0.05687 0.00000 0.00316 176 177 178 179 180 176 3S 0.23350 177 3PX 0.00000 0.06205 178 3PY 0.00000 0.00000 0.02607 179 3PZ 0.00000 0.00000 0.00000 0.06494 180 4XX 0.00151 0.00000 0.00000 0.00000 0.00335 181 4YY -0.00812 0.00000 0.00000 0.00000 -0.00041 182 4ZZ 0.00201 0.00000 0.00000 0.00000 -0.00055 183 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 184 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.04348 0.00167 0.00000 0.04188 -0.00142 187 2S 0.03016 0.00183 0.00000 0.02579 -0.00569 188 23 H 1S 0.03986 0.04871 0.00000 0.00027 0.00896 189 2S 0.02108 0.04009 0.00000 -0.00020 0.00902 181 182 183 184 185 181 4YY 0.00343 182 4ZZ -0.00046 0.00350 183 4XY 0.00000 0.00000 0.00248 184 4XZ 0.00000 0.00000 0.00000 0.00106 185 4YZ 0.00000 0.00000 0.00000 0.00000 0.00274 186 22 H 1S -0.00145 0.00894 0.00000 0.00060 0.00000 187 2S -0.00314 0.01031 0.00000 0.00010 0.00000 188 23 H 1S -0.00137 -0.00146 0.00000 0.00049 0.00000 189 2S -0.00240 -0.00536 0.00000 0.00008 0.00000 186 187 188 189 186 22 H 1S 0.22400 187 2S 0.12136 0.19868 188 23 H 1S -0.00073 -0.01284 0.22350 189 2S -0.01186 -0.04733 0.11454 0.16575 Gross orbital populations: 1 1 1 C 1S 1.99219 2 2S 0.70394 3 2PX 0.59316 4 2PY 0.75708 5 2PZ 0.65429 6 3S 0.49498 7 3PX 0.25387 8 3PY 0.17399 9 3PZ 0.26760 10 4XX -0.00743 11 4YY 0.00526 12 4ZZ -0.00003 13 4XY 0.01112 14 4XZ 0.01091 15 4YZ 0.01425 16 2 C 1S 1.99219 17 2S 0.70394 18 2PX 0.59316 19 2PY 0.75708 20 2PZ 0.65429 21 3S 0.49498 22 3PX 0.25387 23 3PY 0.17399 24 3PZ 0.26760 25 4XX -0.00743 26 4YY 0.00526 27 4ZZ -0.00003 28 4XY 0.01112 29 4XZ 0.01091 30 4YZ 0.01425 31 3 C 1S 1.99262 32 2S 0.70383 33 2PX 0.61234 34 2PY 0.72535 35 2PZ 0.68246 36 3S 0.59621 37 3PX 0.32769 38 3PY 0.24311 39 3PZ 0.25793 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 1.99191 47 2S 0.70501 48 2PX 0.64894 49 2PY 0.74795 50 2PZ 0.68316 51 3S 0.50003 52 3PX 0.32198 53 3PY 0.20203 54 3PZ 0.30108 55 4XX -0.01176 56 4YY 0.00155 57 4ZZ -0.00527 58 4XY 0.00869 59 4XZ 0.00540 60 4YZ 0.00997 61 5 C 1S 1.99191 62 2S 0.70501 63 2PX 0.64894 64 2PY 0.74795 65 2PZ 0.68316 66 3S 0.50003 67 3PX 0.32198 68 3PY 0.20203 69 3PZ 0.30108 70 4XX -0.01176 71 4YY 0.00155 72 4ZZ -0.00527 73 4XY 0.00869 74 4XZ 0.00540 75 4YZ 0.00997 76 6 C 1S 1.99262 77 2S 0.70383 78 2PX 0.61234 79 2PY 0.72535 80 2PZ 0.68246 81 3S 0.59621 82 3PX 0.32769 83 3PY 0.24311 84 3PZ 0.25793 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 0.52971 92 2S 0.30213 93 8 H 1S 0.53307 94 2S 0.35110 95 9 H 1S 0.53307 96 2S 0.35110 97 10 H 1S 0.53359 98 2S 0.34361 99 11 H 1S 0.53359 100 2S 0.34361 101 12 H 1S 0.52971 102 2S 0.30213 103 13 C 1S 1.99220 104 2S 0.68132 105 2PX 0.72499 106 2PY 0.68461 107 2PZ 0.69614 108 3S 0.58932 109 3PX 0.33283 110 3PY 0.27010 111 3PZ 0.28726 112 4XX 0.00505 113 4YY -0.00217 114 4ZZ -0.00062 115 4XY 0.00716 116 4XZ 0.00969 117 4YZ 0.00762 118 14 H 1S 0.52953 119 2S 0.32409 120 15 H 1S 0.53199 121 2S 0.32148 122 16 C 1S 1.99220 123 2S 0.68132 124 2PX 0.72499 125 2PY 0.68461 126 2PZ 0.69614 127 3S 0.58932 128 3PX 0.33283 129 3PY 0.27010 130 3PZ 0.28726 131 4XX 0.00505 132 4YY -0.00217 133 4ZZ -0.00062 134 4XY 0.00716 135 4XZ 0.00969 136 4YZ 0.00762 137 17 H 1S 0.53199 138 2S 0.32148 139 18 H 1S 0.52953 140 2S 0.32409 141 19 O 1S 1.99234 142 2S 0.89932 143 2PX 0.93692 144 2PY 0.96352 145 2PZ 1.01240 146 3S 1.00629 147 3PX 0.52120 148 3PY 0.55962 149 3PZ 0.56885 150 4XX 0.00128 151 4YY -0.00122 152 4ZZ -0.00485 153 4XY 0.00766 154 4XZ 0.00371 155 4YZ 0.00695 156 20 O 1S 1.99234 157 2S 0.89932 158 2PX 0.93692 159 2PY 0.96352 160 2PZ 1.01240 161 3S 1.00629 162 3PX 0.52120 163 3PY 0.55962 164 3PZ 0.56885 165 4XX 0.00128 166 4YY -0.00122 167 4ZZ -0.00485 168 4XY 0.00766 169 4XZ 0.00371 170 4YZ 0.00695 171 21 C 1S 1.99193 172 2S 0.70993 173 2PX 0.72993 174 2PY 0.53053 175 2PZ 0.72498 176 3S 0.45538 177 3PX 0.24757 178 3PY 0.09851 179 3PZ 0.23709 180 4XX 0.01406 181 4YY 0.00334 182 4ZZ 0.01373 183 4XY 0.01769 184 4XZ 0.00681 185 4YZ 0.01935 186 22 H 1S 0.54160 187 2S 0.31780 188 23 H 1S 0.54013 189 2S 0.30934 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.923712 0.490186 -0.006324 -0.022838 -0.016902 0.109700 2 C 0.490186 4.923712 0.109700 -0.016902 -0.022838 -0.006324 3 C -0.006324 0.109700 4.999291 0.553370 -0.043950 -0.022705 4 C -0.022838 -0.016902 0.553370 4.906274 0.509960 -0.043950 5 C -0.016902 -0.022838 -0.043950 0.509960 4.906273 0.553371 6 C 0.109700 -0.006324 -0.022705 -0.043950 0.553371 4.999291 7 H 0.381023 -0.042181 0.001041 0.002108 -0.004215 -0.018640 8 H -0.000074 0.000631 -0.052127 0.367132 -0.051749 0.006076 9 H 0.000631 -0.000074 0.006076 -0.051749 0.367132 -0.052127 10 H -0.008907 0.001100 0.000137 0.007379 -0.042416 0.361915 11 H 0.001100 -0.008907 0.361915 -0.042416 0.007379 0.000137 12 H -0.042181 0.381023 -0.018641 -0.004215 0.002108 0.001041 13 C -0.004123 -0.014419 -0.033026 -0.031229 -0.023524 0.374483 14 H 0.002065 0.000341 0.002384 0.001689 -0.005867 -0.039440 15 H -0.010501 0.000554 0.001388 0.001073 0.003494 -0.033808 16 C -0.014419 -0.004124 0.374483 -0.023524 -0.031229 -0.033026 17 H 0.000554 -0.010501 -0.033808 0.003494 0.001073 0.001388 18 H 0.000341 0.002065 -0.039440 -0.005867 0.001689 0.002384 19 O 0.230629 -0.039161 -0.000388 0.000474 0.000580 -0.010800 20 O -0.039161 0.230629 -0.010800 0.000580 0.000474 -0.000388 21 C -0.058170 -0.058170 0.000261 -0.000126 -0.000126 0.000261 22 H 0.004885 0.004885 0.000713 -0.000061 -0.000061 0.000713 23 H 0.003980 0.003980 -0.000074 0.000006 0.000006 -0.000074 7 8 9 10 11 12 1 C 0.381023 -0.000074 0.000631 -0.008907 0.001100 -0.042181 2 C -0.042181 0.000631 -0.000074 0.001100 -0.008907 0.381023 3 C 0.001041 -0.052127 0.006076 0.000137 0.361915 -0.018641 4 C 0.002108 0.367132 -0.051749 0.007379 -0.042416 -0.004215 5 C -0.004215 -0.051749 0.367132 -0.042416 0.007379 0.002108 6 C -0.018640 0.006076 -0.052127 0.361915 0.000137 0.001041 7 H 0.540723 0.000020 0.000298 -0.000380 -0.000034 -0.000192 8 H 0.000020 0.624216 -0.007408 -0.000145 -0.007993 0.000298 9 H 0.000298 -0.007408 0.624216 -0.007993 -0.000145 0.000020 10 H -0.000380 -0.000145 -0.007993 0.613630 -0.000004 -0.000034 11 H -0.000034 -0.007993 -0.000145 -0.000004 0.613630 -0.000380 12 H -0.000192 0.000298 0.000020 -0.000034 -0.000380 0.540723 13 C 0.000462 -0.000156 0.005698 -0.051198 0.005215 0.000286 14 H -0.000059 -0.000001 -0.000050 -0.000656 -0.000112 0.000003 15 H 0.000522 0.000017 -0.000199 -0.000666 -0.000156 -0.000050 16 C 0.000286 0.005698 -0.000156 0.005215 -0.051198 0.000462 17 H -0.000050 -0.000199 0.000017 -0.000156 -0.000666 0.000522 18 H 0.000003 -0.000050 -0.000001 -0.000112 -0.000656 -0.000059 19 O -0.036734 0.000001 -0.000014 0.000524 -0.000011 0.002500 20 O 0.002500 -0.000014 0.000001 -0.000011 0.000524 -0.036734 21 C 0.005648 0.000000 0.000000 -0.000038 -0.000038 0.005648 22 H -0.000394 0.000000 0.000000 0.000009 0.000009 -0.000394 23 H 0.000082 0.000000 0.000000 0.000000 0.000000 0.000082 13 14 15 16 17 18 1 C -0.004123 0.002065 -0.010501 -0.014419 0.000554 0.000341 2 C -0.014419 0.000341 0.000554 -0.004124 -0.010501 0.002065 3 C -0.033026 0.002384 0.001388 0.374483 -0.033808 -0.039440 4 C -0.031229 0.001689 0.001073 -0.023524 0.003494 -0.005867 5 C -0.023524 -0.005867 0.003494 -0.031229 0.001073 0.001689 6 C 0.374483 -0.039440 -0.033808 -0.033026 0.001388 0.002384 7 H 0.000462 -0.000059 0.000522 0.000286 -0.000050 0.000003 8 H -0.000156 -0.000001 0.000017 0.005698 -0.000199 -0.000050 9 H 0.005698 -0.000050 -0.000199 -0.000156 0.000017 -0.000001 10 H -0.051198 -0.000656 -0.000666 0.005215 -0.000156 -0.000112 11 H 0.005215 -0.000112 -0.000156 -0.051198 -0.000666 -0.000656 12 H 0.000286 0.000003 -0.000050 0.000462 0.000522 -0.000059 13 C 5.060548 0.375827 0.352751 0.333676 -0.027674 -0.034063 14 H 0.375827 0.602107 -0.042573 -0.034063 0.004406 -0.012450 15 H 0.352751 -0.042573 0.605943 -0.027674 -0.012410 0.004406 16 C 0.333676 -0.034063 -0.027674 5.060548 0.352751 0.375827 17 H -0.027674 0.004406 -0.012410 0.352751 0.605943 -0.042573 18 H -0.034063 -0.012450 0.004406 0.375827 -0.042573 0.602107 19 O -0.004492 0.000029 0.013071 0.000320 0.000123 -0.000028 20 O 0.000320 -0.000028 0.000123 -0.004492 0.013071 0.000029 21 C -0.000445 -0.000014 -0.000290 -0.000445 -0.000290 -0.000014 22 H 0.000522 0.000088 -0.001799 0.000522 -0.001799 0.000088 23 H 0.000065 -0.000002 0.000258 0.000065 0.000258 -0.000002 19 20 21 22 23 1 C 0.230629 -0.039161 -0.058170 0.004885 0.003980 2 C -0.039161 0.230629 -0.058170 0.004885 0.003980 3 C -0.000388 -0.010800 0.000261 0.000713 -0.000074 4 C 0.000474 0.000580 -0.000126 -0.000061 0.000006 5 C 0.000580 0.000474 -0.000126 -0.000061 0.000006 6 C -0.010800 -0.000388 0.000261 0.000713 -0.000074 7 H -0.036734 0.002500 0.005648 -0.000394 0.000082 8 H 0.000001 -0.000014 0.000000 0.000000 0.000000 9 H -0.000014 0.000001 0.000000 0.000000 0.000000 10 H 0.000524 -0.000011 -0.000038 0.000009 0.000000 11 H -0.000011 0.000524 -0.000038 0.000009 0.000000 12 H 0.002500 -0.036734 0.005648 -0.000394 0.000082 13 C -0.004492 0.000320 -0.000445 0.000522 0.000065 14 H 0.000029 -0.000028 -0.000014 0.000088 -0.000002 15 H 0.013071 0.000123 -0.000290 -0.001799 0.000258 16 C 0.000320 -0.004492 -0.000445 0.000522 0.000065 17 H 0.000123 0.013071 -0.000290 -0.001799 0.000258 18 H -0.000028 0.000029 -0.000014 0.000088 -0.000002 19 O 8.190597 -0.042474 0.255634 -0.050904 -0.035478 20 O -0.042474 8.190597 0.255634 -0.050904 -0.035478 21 C 0.255634 0.255634 4.669087 0.360629 0.366200 22 H -0.050904 -0.050904 0.360629 0.665398 -0.072749 23 H -0.035478 -0.035478 0.366200 -0.072749 0.618340 Mulliken charges: 1 1 C 0.074797 2 C 0.074797 3 C -0.149478 4 C -0.110661 5 C -0.110661 6 C -0.149478 7 H 0.168162 8 H 0.115826 9 H 0.115826 10 H 0.122807 11 H 0.122807 12 H 0.168162 13 C -0.285504 14 H 0.146377 15 H 0.146524 16 C -0.285504 17 H 0.146524 18 H 0.146377 19 O -0.473999 20 O -0.473998 21 C 0.199161 22 H 0.140603 23 H 0.150533 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.242959 2 C 0.242959 3 C -0.026671 4 C 0.005165 5 C 0.005165 6 C -0.026671 13 C 0.007397 16 C 0.007396 19 O -0.473999 20 O -0.473998 21 C 0.490297 Electronic spatial extent (au): = 1462.9360 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.2919 Y= 0.0000 Z= -0.2504 Tot= 0.3846 Quadrupole moment (field-independent basis, Debye-Ang): XX= -66.0587 YY= -66.2586 ZZ= -61.0978 XY= 0.0000 XZ= -2.5914 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -1.5870 YY= -1.7869 ZZ= 3.3739 XY= 0.0000 XZ= -2.5914 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -35.3441 YYY= 0.0000 ZZZ= -4.5868 XYY= 4.5874 XXY= 0.0000 XXZ= 2.3254 XZZ= -4.2953 YZZ= 0.0000 YYZ= -4.6289 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1027.3990 YYYY= -454.0305 ZZZZ= -400.8076 XXXY= 0.0000 XXXZ= -25.2344 YYYX= 0.0000 YYYZ= 0.0000 ZZZX= 1.4107 ZZZY= 0.0000 XXYY= -270.3237 XXZZ= -230.4653 YYZZ= -137.0199 XXYZ= 0.0000 YYXZ= -2.4751 ZZXY= 0.0000 N-N= 6.505228859440D+02 E-N=-2.466014338311D+03 KE= 4.958562948787D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.176835 29.026211 2 O -19.176831 29.026298 3 O -10.292310 15.888382 4 O -10.238599 15.880971 5 O -10.238018 15.892085 6 O -10.186434 15.890013 7 O -10.186413 15.884503 8 O -10.180363 15.882763 9 O -10.180187 15.889177 10 O -10.169362 15.876088 11 O -10.168859 15.885790 12 O -1.107126 2.296509 13 O -1.013173 2.785701 14 O -0.829084 1.400510 15 O -0.765898 1.721633 16 O -0.733690 1.473761 17 O -0.728675 1.513920 18 O -0.643769 1.895179 19 O -0.614510 1.756404 20 O -0.603977 1.457279 21 O -0.584675 1.408520 22 O -0.532357 1.336067 23 O -0.511507 1.178769 24 O -0.494175 0.996075 25 O -0.470196 1.352483 26 O -0.446704 1.573937 27 O -0.443555 1.142237 28 O -0.441062 1.574473 29 O -0.405576 1.357473 30 O -0.397902 1.212947 31 O -0.389630 1.719078 32 O -0.384144 1.292316 33 O -0.373263 1.574628 34 O -0.355249 2.367354 35 O -0.348812 1.413686 36 O -0.328576 1.796842 37 O -0.319424 1.469880 38 O -0.317079 1.391342 39 O -0.286252 1.368569 40 O -0.198000 1.279606 41 O -0.185602 1.798687 42 V -0.006977 1.479621 43 V 0.010181 1.673666 44 V 0.083769 0.939874 45 V 0.112319 0.984339 46 V 0.119120 1.771719 47 V 0.122465 1.841706 48 V 0.123158 1.000065 49 V 0.135169 1.073539 50 V 0.144246 1.535754 51 V 0.145263 1.041252 52 V 0.163925 1.653017 53 V 0.171447 1.388944 54 V 0.177644 1.367549 55 V 0.192704 1.270969 56 V 0.197721 2.353043 57 V 0.203004 1.219677 58 V 0.228815 1.314938 59 V 0.236115 1.143407 60 V 0.242696 1.411924 61 V 0.249130 1.439856 62 V 0.304401 1.683434 63 V 0.313614 1.479601 64 V 0.326622 1.752516 65 V 0.370111 2.525416 66 V 0.432155 1.929602 67 V 0.473978 1.814193 68 V 0.477944 1.842597 69 V 0.491399 1.615900 70 V 0.508273 2.036065 71 V 0.523157 2.095902 72 V 0.546507 2.522758 73 V 0.547872 1.755643 74 V 0.548669 2.108021 75 V 0.568897 2.371417 76 V 0.579354 2.171803 77 V 0.607446 2.323651 78 V 0.613359 1.951015 79 V 0.618222 1.942364 80 V 0.636317 2.359067 81 V 0.663101 2.521633 82 V 0.678639 2.532031 83 V 0.712839 2.399730 84 V 0.722948 2.418593 85 V 0.740950 2.512553 86 V 0.751916 2.579596 87 V 0.775339 2.174001 88 V 0.795756 2.393434 89 V 0.798762 2.614823 90 V 0.810663 2.533618 91 V 0.828479 2.500892 92 V 0.841995 2.285391 93 V 0.854436 2.766166 94 V 0.864518 2.706304 95 V 0.880619 2.597228 96 V 0.884470 2.488861 97 V 0.885196 2.711272 98 V 0.887090 2.867984 99 V 0.898057 2.577371 100 V 0.913803 2.700588 101 V 0.937174 2.656077 102 V 0.940278 2.589281 103 V 0.951222 2.714833 104 V 1.007968 2.256234 105 V 1.014398 2.335473 106 V 1.022972 2.836241 107 V 1.027192 2.465806 108 V 1.092046 3.076255 109 V 1.099176 2.655337 110 V 1.114142 2.822323 111 V 1.149190 2.615960 112 V 1.151811 2.999930 113 V 1.189380 2.470829 114 V 1.204062 2.547920 115 V 1.251297 2.394834 116 V 1.264442 2.522739 117 V 1.367271 2.620179 118 V 1.370433 2.851948 119 V 1.398344 2.557563 120 V 1.427155 2.655773 121 V 1.432168 2.569784 122 V 1.438607 2.643354 123 V 1.475733 2.604470 124 V 1.492054 2.727511 125 V 1.526436 2.731791 126 V 1.585306 2.729158 127 V 1.639972 2.848223 128 V 1.661074 2.867754 129 V 1.720401 2.847908 130 V 1.723417 2.955705 131 V 1.758449 2.889987 132 V 1.770896 3.084120 133 V 1.794201 3.089680 134 V 1.859996 3.080300 135 V 1.877739 3.223166 136 V 1.885291 3.368957 137 V 1.908433 3.243746 138 V 1.935590 3.247649 139 V 1.958243 3.420385 140 V 1.976491 3.549543 141 V 1.978281 3.713121 142 V 1.981006 3.536767 143 V 2.000547 3.502648 144 V 2.019345 3.666129 145 V 2.041529 3.521300 146 V 2.088855 3.490861 147 V 2.120258 3.689690 148 V 2.140782 3.517675 149 V 2.160262 3.640893 150 V 2.230031 3.505801 151 V 2.254890 3.549561 152 V 2.262093 3.557701 153 V 2.279790 3.600081 154 V 2.291936 3.680198 155 V 2.309524 3.817473 156 V 2.318515 3.601861 157 V 2.371179 3.779065 158 V 2.401492 3.844874 159 V 2.434363 3.875186 160 V 2.448045 3.771084 161 V 2.451423 3.854444 162 V 2.484060 3.927443 163 V 2.522273 3.909362 164 V 2.545401 4.007246 165 V 2.598869 4.362492 166 V 2.627361 4.427675 167 V 2.645162 4.262090 168 V 2.675715 4.223321 169 V 2.692962 4.304411 170 V 2.694418 4.369137 171 V 2.736161 4.291610 172 V 2.765834 4.302920 173 V 2.803848 4.577472 174 V 2.866822 4.485871 175 V 2.879869 4.651799 176 V 2.944552 4.768069 177 V 3.105786 4.916533 178 V 3.131140 4.838645 179 V 4.006179 10.862384 180 V 4.105674 10.794415 181 V 4.127679 10.147676 182 V 4.252014 10.394783 183 V 4.268109 10.249959 184 V 4.362042 10.479334 185 V 4.370215 10.258818 186 V 4.448551 10.340456 187 V 4.489379 10.367802 188 V 4.649642 10.705346 189 V 4.874503 11.552503 Total kinetic energy from orbitals= 4.958562948787D+02 1|1| IMPERIAL COLLEGE-CHWS-293|SP|RB3LYP|6-31G(d)|C9H12O2|OHC15|26-Jan -2018|0||# b3lyp/6-31g(d) geom=connectivity integral=grid=ultrafine po p=full gfprint||Title Card Required||0,1|C,0,0.758511,-0.694608,-0.970 853|C,0,0.758511,0.694609,-0.970852|C,0,-1.193988,1.364526,0.078166|C, 0,-2.109566,0.703879,-0.726808|C,0,-2.109566,-0.703877,-0.726809|C,0,- 1.19399,-1.364526,0.078165|H,0,0.506258,-1.344543,-1.792112|H,0,-2.649 17,1.244392,-1.502093|H,0,-2.649171,-1.24439,-1.502094|H,0,-1.088551,- 2.444693,-0.012345|H,0,-1.088549,2.444693,-0.012342|H,0,0.506259,1.344 545,-1.792111|C,0,-0.79259,-0.77908,1.416709|H,0,-1.508046,-1.141895,2 .167742|H,0,0.180701,-1.183502,1.715629|C,0,-0.79259,0.779078,1.416709 |H,0,0.180701,1.183499,1.715631|H,0,-1.508046,1.141893,2.167743|O,0,1. 815864,-1.147993,-0.185571|O,0,1.815864,1.147993,-0.18557|C,0,2.404457 ,0.,0.418535|H,0,2.200893,-0.000001,1.498172|H,0,3.48777,0.,0.239543|| Version=EM64W-G09RevD.01|State=1-A|HF=-500.488669|RMSD=4.068e-009|Dipo le=0.1148267,0.,-0.0985251|Quadrupole=-1.1798877,-1.3285323,2.50842,0. 0000034,1.9266266,-0.0000026|PG=C01 [X(C9H12O2)]||@ A BIRD IN THE HAND IS SAFER THAN ONE OVERHEAD. -- NEWTON'S SEVENTH LAW Job cpu time: 0 days 0 hours 4 minutes 26.0 seconds. File lengths (MBytes): RWF= 16 Int= 0 D2E= 0 Chk= 2 Scr= 1 Normal termination of Gaussian 09 at Fri Jan 26 17:32:34 2018.