Default is to use a total of 8 processors: 8 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 7632. 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 17-Nov-2017 ****************************************** %chk=\\icnas1.cc.ic.ac.uk\jag115\Desktop\transition_state_lab\two\exo_ts_b3lyp63 1gd_MOs.chk Default route: MaxDisk=10GB ---------------------------------------------------------------------- # opt=(calcfc,ts,noeigen) freq b3lyp/6-31g(d) geom=connectivity integr al=grid=ultrafine pop=full gfprint ---------------------------------------------------------------------- 1/5=1,10=4,11=1,14=-1,18=20,26=4,38=1,57=2/1,3; 2/9=110,12=2,17=6,18=5,40=1/2; 3/5=1,6=6,7=1,11=2,16=1,24=100,25=1,30=1,71=2,74=-5,75=-5,140=1/1,2,3; 4//1; 5/5=2,38=5/2; 8/6=4,10=90,11=11/1; 11/6=1,8=1,9=11,15=111,16=1/1,2,10; 10/6=1,13=1/2; 6/7=3,28=1/1; 7/10=1,18=20,25=1/1,2,3,16; 1/5=1,10=4,11=1,14=-1,18=20,26=4/3(2); 2/9=110/2; 99//99; 2/9=110/2; 3/5=1,6=6,7=1,11=2,16=1,25=1,30=1,71=1,74=-5,75=-5/1,2,3; 4/5=5,16=3,69=1/1; 5/5=2,38=5/2; 7//1,2,3,16; 1/5=1,11=1,14=-1,18=20,26=4/3(-5); 2/9=110/2; 6/7=3,19=2,28=1/1; 99/9=1/99; ------------------- Title Card Required ------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C 0.7585 -0.69453 -0.97107 O 1.81588 -1.14792 -0.18586 C 2.40406 -0.00006 0.4187 C 0.75851 0.69469 -0.97092 H 2.1998 -0.00017 1.49821 H 3.48748 -0.00004 0.24039 O 1.81588 1.14792 -0.18561 H 0.50625 1.34477 -1.79206 H 0.5062 -1.34446 -1.79232 C -2.1097 -0.70374 -0.72672 C -2.10958 0.70402 -0.72661 C -1.19392 1.36452 0.07835 C -0.79233 0.77893 1.41679 C -0.79226 -0.77925 1.4166 C -1.19414 -1.36454 0.07813 H -2.64943 -1.24415 -1.50199 H -2.64919 1.24463 -1.50182 H -1.08843 2.44469 -0.01209 H 0.181 1.18338 1.71556 H 0.18121 -1.1837 1.71493 H -1.08885 -2.44471 -0.01252 H -1.50769 1.14162 2.16797 H -1.50731 -1.1422 2.16795 Add virtual bond connecting atoms C12 and C4 Dist= 4.38D+00. Add virtual bond connecting atoms C15 and C1 Dist= 4.38D+00. Add virtual bond connecting atoms H19 and H5 Dist= 4.44D+00. Add virtual bond connecting atoms H20 and H5 Dist= 4.44D+00. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.3929 calculate D2E/DX2 analytically ! ! R2 R(1,4) 1.3892 calculate D2E/DX2 analytically ! ! R3 R(1,9) 1.0773 calculate D2E/DX2 analytically ! ! R4 R(1,15) 2.3157 calculate D2E/DX2 analytically ! ! R5 R(2,3) 1.4244 calculate D2E/DX2 analytically ! ! R6 R(3,5) 1.0987 calculate D2E/DX2 analytically ! ! R7 R(3,6) 1.098 calculate D2E/DX2 analytically ! ! R8 R(3,7) 1.4244 calculate D2E/DX2 analytically ! ! R9 R(4,7) 1.3929 calculate D2E/DX2 analytically ! ! R10 R(4,8) 1.0773 calculate D2E/DX2 analytically ! ! R11 R(4,12) 2.3155 calculate D2E/DX2 analytically ! ! R12 R(5,19) 2.3502 calculate D2E/DX2 analytically ! ! R13 R(5,20) 2.35 calculate D2E/DX2 analytically ! ! R14 R(10,11) 1.4078 calculate D2E/DX2 analytically ! ! R15 R(10,15) 1.3866 calculate D2E/DX2 analytically ! ! R16 R(10,16) 1.0883 calculate D2E/DX2 analytically ! ! R17 R(11,12) 1.3866 calculate D2E/DX2 analytically ! ! R18 R(11,17) 1.0883 calculate D2E/DX2 analytically ! ! R19 R(12,13) 1.5151 calculate D2E/DX2 analytically ! ! R20 R(12,18) 1.0891 calculate D2E/DX2 analytically ! ! R21 R(13,14) 1.5582 calculate D2E/DX2 analytically ! ! R22 R(13,19) 1.0955 calculate D2E/DX2 analytically ! ! R23 R(13,22) 1.0989 calculate D2E/DX2 analytically ! ! R24 R(14,15) 1.5151 calculate D2E/DX2 analytically ! ! R25 R(14,20) 1.0955 calculate D2E/DX2 analytically ! ! R26 R(14,23) 1.0989 calculate D2E/DX2 analytically ! ! R27 R(15,21) 1.0891 calculate D2E/DX2 analytically ! ! A1 A(2,1,4) 108.9919 calculate D2E/DX2 analytically ! ! A2 A(2,1,9) 114.2779 calculate D2E/DX2 analytically ! ! A3 A(2,1,15) 106.8888 calculate D2E/DX2 analytically ! ! A4 A(4,1,9) 127.1134 calculate D2E/DX2 analytically ! ! A5 A(4,1,15) 106.8151 calculate D2E/DX2 analytically ! ! A6 A(9,1,15) 88.4734 calculate D2E/DX2 analytically ! ! A7 A(1,2,3) 106.8825 calculate D2E/DX2 analytically ! ! A8 A(2,3,5) 109.887 calculate D2E/DX2 analytically ! ! A9 A(2,3,6) 109.7872 calculate D2E/DX2 analytically ! ! A10 A(2,3,7) 107.3905 calculate D2E/DX2 analytically ! ! A11 A(5,3,6) 110.0604 calculate D2E/DX2 analytically ! ! A12 A(5,3,7) 109.8868 calculate D2E/DX2 analytically ! ! A13 A(6,3,7) 109.7874 calculate D2E/DX2 analytically ! ! A14 A(1,4,7) 108.9929 calculate D2E/DX2 analytically ! ! A15 A(1,4,8) 127.1113 calculate D2E/DX2 analytically ! ! A16 A(1,4,12) 106.8175 calculate D2E/DX2 analytically ! ! A17 A(7,4,8) 114.2775 calculate D2E/DX2 analytically ! ! A18 A(7,4,12) 106.8861 calculate D2E/DX2 analytically ! ! A19 A(8,4,12) 88.4755 calculate D2E/DX2 analytically ! ! A20 A(3,5,19) 104.5077 calculate D2E/DX2 analytically ! ! A21 A(3,5,20) 104.499 calculate D2E/DX2 analytically ! ! A22 A(19,5,20) 60.4785 calculate D2E/DX2 analytically ! ! A23 A(3,7,4) 106.8822 calculate D2E/DX2 analytically ! ! A24 A(11,10,15) 118.4545 calculate D2E/DX2 analytically ! ! A25 A(11,10,16) 119.7791 calculate D2E/DX2 analytically ! ! A26 A(15,10,16) 120.2855 calculate D2E/DX2 analytically ! ! A27 A(10,11,12) 118.4535 calculate D2E/DX2 analytically ! ! A28 A(10,11,17) 119.7791 calculate D2E/DX2 analytically ! ! A29 A(12,11,17) 120.2862 calculate D2E/DX2 analytically ! ! A30 A(4,12,11) 98.972 calculate D2E/DX2 analytically ! ! A31 A(4,12,13) 93.7273 calculate D2E/DX2 analytically ! ! A32 A(4,12,18) 99.6492 calculate D2E/DX2 analytically ! ! A33 A(11,12,13) 120.2487 calculate D2E/DX2 analytically ! ! A34 A(11,12,18) 119.2228 calculate D2E/DX2 analytically ! ! A35 A(13,12,18) 115.5326 calculate D2E/DX2 analytically ! ! A36 A(12,13,14) 112.7311 calculate D2E/DX2 analytically ! ! A37 A(12,13,19) 109.494 calculate D2E/DX2 analytically ! ! A38 A(12,13,22) 107.6833 calculate D2E/DX2 analytically ! ! A39 A(14,13,19) 111.6644 calculate D2E/DX2 analytically ! ! A40 A(14,13,22) 109.2789 calculate D2E/DX2 analytically ! ! A41 A(19,13,22) 105.6695 calculate D2E/DX2 analytically ! ! A42 A(13,14,15) 112.7299 calculate D2E/DX2 analytically ! ! A43 A(13,14,20) 111.6654 calculate D2E/DX2 analytically ! ! A44 A(13,14,23) 109.2795 calculate D2E/DX2 analytically ! ! A45 A(15,14,20) 109.4901 calculate D2E/DX2 analytically ! ! A46 A(15,14,23) 107.6878 calculate D2E/DX2 analytically ! ! A47 A(20,14,23) 105.6688 calculate D2E/DX2 analytically ! ! A48 A(1,15,10) 98.9688 calculate D2E/DX2 analytically ! ! A49 A(1,15,14) 93.7167 calculate D2E/DX2 analytically ! ! A50 A(1,15,21) 99.6556 calculate D2E/DX2 analytically ! ! A51 A(10,15,14) 120.2529 calculate D2E/DX2 analytically ! ! A52 A(10,15,21) 119.2216 calculate D2E/DX2 analytically ! ! A53 A(14,15,21) 115.5329 calculate D2E/DX2 analytically ! ! A54 A(5,19,13) 123.5056 calculate D2E/DX2 analytically ! ! A55 A(5,20,14) 123.5196 calculate D2E/DX2 analytically ! ! D1 D(4,1,2,3) 5.6661 calculate D2E/DX2 analytically ! ! D2 D(9,1,2,3) 154.4569 calculate D2E/DX2 analytically ! ! D3 D(15,1,2,3) -109.4353 calculate D2E/DX2 analytically ! ! D4 D(2,1,4,7) -0.0004 calculate D2E/DX2 analytically ! ! D5 D(2,1,4,8) 143.6755 calculate D2E/DX2 analytically ! ! D6 D(2,1,4,12) -115.148 calculate D2E/DX2 analytically ! ! D7 D(9,1,4,7) -143.6788 calculate D2E/DX2 analytically ! ! D8 D(9,1,4,8) -0.0028 calculate D2E/DX2 analytically ! ! D9 D(9,1,4,12) 101.1737 calculate D2E/DX2 analytically ! ! D10 D(15,1,4,7) 115.1486 calculate D2E/DX2 analytically ! ! D11 D(15,1,4,8) -101.1755 calculate D2E/DX2 analytically ! ! D12 D(15,1,4,12) 0.001 calculate D2E/DX2 analytically ! ! D13 D(2,1,15,10) 173.0751 calculate D2E/DX2 analytically ! ! D14 D(2,1,15,14) 51.6502 calculate D2E/DX2 analytically ! ! D15 D(2,1,15,21) -65.0419 calculate D2E/DX2 analytically ! ! D16 D(4,1,15,10) 56.5207 calculate D2E/DX2 analytically ! ! D17 D(4,1,15,14) -64.9042 calculate D2E/DX2 analytically ! ! D18 D(4,1,15,21) 178.4037 calculate D2E/DX2 analytically ! ! D19 D(9,1,15,10) -71.9793 calculate D2E/DX2 analytically ! ! D20 D(9,1,15,14) 166.5958 calculate D2E/DX2 analytically ! ! D21 D(9,1,15,21) 49.9037 calculate D2E/DX2 analytically ! ! D22 D(1,2,3,5) 110.4241 calculate D2E/DX2 analytically ! ! D23 D(1,2,3,6) -128.3916 calculate D2E/DX2 analytically ! ! D24 D(1,2,3,7) -9.0717 calculate D2E/DX2 analytically ! ! D25 D(2,3,5,19) -90.3246 calculate D2E/DX2 analytically ! ! D26 D(2,3,5,20) -27.6348 calculate D2E/DX2 analytically ! ! D27 D(6,3,5,19) 148.6552 calculate D2E/DX2 analytically ! ! D28 D(6,3,5,20) -148.655 calculate D2E/DX2 analytically ! ! D29 D(7,3,5,19) 27.6348 calculate D2E/DX2 analytically ! ! D30 D(7,3,5,20) 90.3247 calculate D2E/DX2 analytically ! ! D31 D(2,3,7,4) 9.0714 calculate D2E/DX2 analytically ! ! D32 D(5,3,7,4) -110.4244 calculate D2E/DX2 analytically ! ! D33 D(6,3,7,4) 128.3912 calculate D2E/DX2 analytically ! ! D34 D(1,4,7,3) -5.6656 calculate D2E/DX2 analytically ! ! D35 D(8,4,7,3) -154.4535 calculate D2E/DX2 analytically ! ! D36 D(12,4,7,3) 109.4377 calculate D2E/DX2 analytically ! ! D37 D(1,4,12,11) -56.5244 calculate D2E/DX2 analytically ! ! D38 D(1,4,12,13) 64.8992 calculate D2E/DX2 analytically ! ! D39 D(1,4,12,18) -178.4076 calculate D2E/DX2 analytically ! ! D40 D(7,4,12,11) -173.0798 calculate D2E/DX2 analytically ! ! D41 D(7,4,12,13) -51.6562 calculate D2E/DX2 analytically ! ! D42 D(7,4,12,18) 65.037 calculate D2E/DX2 analytically ! ! D43 D(8,4,12,11) 71.9748 calculate D2E/DX2 analytically ! ! D44 D(8,4,12,13) -166.6017 calculate D2E/DX2 analytically ! ! D45 D(8,4,12,18) -49.9085 calculate D2E/DX2 analytically ! ! D46 D(3,5,19,13) 72.6271 calculate D2E/DX2 analytically ! ! D47 D(20,5,19,13) -26.0384 calculate D2E/DX2 analytically ! ! D48 D(3,5,20,14) -72.6528 calculate D2E/DX2 analytically ! ! D49 D(19,5,20,14) 26.0275 calculate D2E/DX2 analytically ! ! D50 D(15,10,11,12) -0.0011 calculate D2E/DX2 analytically ! ! D51 D(15,10,11,17) 166.16 calculate D2E/DX2 analytically ! ! D52 D(16,10,11,12) -166.1631 calculate D2E/DX2 analytically ! ! D53 D(16,10,11,17) -0.002 calculate D2E/DX2 analytically ! ! D54 D(11,10,15,1) -65.2454 calculate D2E/DX2 analytically ! ! D55 D(11,10,15,14) 34.4275 calculate D2E/DX2 analytically ! ! D56 D(11,10,15,21) -171.6755 calculate D2E/DX2 analytically ! ! D57 D(16,10,15,1) 100.8443 calculate D2E/DX2 analytically ! ! D58 D(16,10,15,14) -159.4828 calculate D2E/DX2 analytically ! ! D59 D(16,10,15,21) -5.5858 calculate D2E/DX2 analytically ! ! D60 D(10,11,12,4) 65.253 calculate D2E/DX2 analytically ! ! D61 D(10,11,12,13) -34.4334 calculate D2E/DX2 analytically ! ! D62 D(10,11,12,18) 171.6779 calculate D2E/DX2 analytically ! ! D63 D(17,11,12,4) -100.8356 calculate D2E/DX2 analytically ! ! D64 D(17,11,12,13) 159.4779 calculate D2E/DX2 analytically ! ! D65 D(17,11,12,18) 5.5892 calculate D2E/DX2 analytically ! ! D66 D(4,12,13,14) -70.0196 calculate D2E/DX2 analytically ! ! D67 D(4,12,13,19) 54.9335 calculate D2E/DX2 analytically ! ! D68 D(4,12,13,22) 169.3636 calculate D2E/DX2 analytically ! ! D69 D(11,12,13,14) 32.6251 calculate D2E/DX2 analytically ! ! D70 D(11,12,13,19) 157.5782 calculate D2E/DX2 analytically ! ! D71 D(11,12,13,22) -87.9917 calculate D2E/DX2 analytically ! ! D72 D(18,12,13,14) -172.5682 calculate D2E/DX2 analytically ! ! D73 D(18,12,13,19) -47.6151 calculate D2E/DX2 analytically ! ! D74 D(18,12,13,22) 66.815 calculate D2E/DX2 analytically ! ! D75 D(12,13,14,15) -0.0151 calculate D2E/DX2 analytically ! ! D76 D(12,13,14,20) 123.7405 calculate D2E/DX2 analytically ! ! D77 D(12,13,14,23) -119.7192 calculate D2E/DX2 analytically ! ! D78 D(19,13,14,15) -123.7761 calculate D2E/DX2 analytically ! ! D79 D(19,13,14,20) -0.0205 calculate D2E/DX2 analytically ! ! D80 D(19,13,14,23) 116.5198 calculate D2E/DX2 analytically ! ! D81 D(22,13,14,15) 119.6838 calculate D2E/DX2 analytically ! ! D82 D(22,13,14,20) -116.5606 calculate D2E/DX2 analytically ! ! D83 D(22,13,14,23) -0.0203 calculate D2E/DX2 analytically ! ! D84 D(12,13,19,5) -101.4771 calculate D2E/DX2 analytically ! ! D85 D(14,13,19,5) 24.0916 calculate D2E/DX2 analytically ! ! D86 D(22,13,19,5) 142.8034 calculate D2E/DX2 analytically ! ! D87 D(13,14,15,1) 70.0339 calculate D2E/DX2 analytically ! ! D88 D(13,14,15,10) -32.6013 calculate D2E/DX2 analytically ! ! D89 D(13,14,15,21) 172.5844 calculate D2E/DX2 analytically ! ! D90 D(20,14,15,1) -54.9167 calculate D2E/DX2 analytically ! ! D91 D(20,14,15,10) -157.5519 calculate D2E/DX2 analytically ! ! D92 D(20,14,15,21) 47.6338 calculate D2E/DX2 analytically ! ! D93 D(23,14,15,1) -169.3464 calculate D2E/DX2 analytically ! ! D94 D(23,14,15,10) 88.0184 calculate D2E/DX2 analytically ! ! D95 D(23,14,15,21) -66.7959 calculate D2E/DX2 analytically ! ! D96 D(13,14,20,5) -24.0656 calculate D2E/DX2 analytically ! ! D97 D(15,14,20,5) 101.4994 calculate D2E/DX2 analytically ! ! D98 D(23,14,20,5) -142.7781 calculate D2E/DX2 analytically ! -------------------------------------------------------------------------------- Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06 Number of steps in this run= 138 maximum allowed number of steps= 138. Search for a saddle point of order 1. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.758504 -0.694531 -0.971068 2 8 0 1.815882 -1.147917 -0.185857 3 6 0 2.404057 -0.000057 0.418696 4 6 0 0.758510 0.694690 -0.970919 5 1 0 2.199800 -0.000171 1.498211 6 1 0 3.487479 -0.000038 0.240386 7 8 0 1.815881 1.147922 -0.185608 8 1 0 0.506248 1.344767 -1.792061 9 1 0 0.506202 -1.344461 -1.792316 10 6 0 -2.109700 -0.703736 -0.726715 11 6 0 -2.109578 0.704018 -0.726612 12 6 0 -1.193917 1.364520 0.078351 13 6 0 -0.792332 0.778928 1.416786 14 6 0 -0.792258 -0.779250 1.416604 15 6 0 -1.194144 -1.364536 0.078129 16 1 0 -2.649432 -1.244145 -1.501985 17 1 0 -2.649189 1.244634 -1.501821 18 1 0 -1.088432 2.444690 -0.012087 19 1 0 0.181002 1.183383 1.715559 20 1 0 0.181211 -1.183699 1.714932 21 1 0 -1.088848 -2.444708 -0.012524 22 1 0 -1.507688 1.141623 2.167966 23 1 0 -1.507310 -1.142198 2.167950 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 O 1.392897 0.000000 3 C 2.263091 1.424436 0.000000 4 C 1.389221 2.264853 2.263079 0.000000 5 H 2.942246 2.073837 1.098669 2.942236 0.000000 6 H 3.065493 2.072087 1.097997 3.065482 1.800067 7 O 2.264868 2.295839 1.424426 1.392898 2.073827 8 H 2.212781 3.241683 3.208999 1.077270 3.937368 9 H 1.077271 2.081971 3.209026 2.212801 3.937380 10 C 2.878609 3.987483 4.709685 3.200291 4.900723 11 C 3.200249 4.373936 4.709602 2.878489 4.900659 12 C 3.025379 3.929508 3.863072 2.315515 3.923735 13 C 3.205935 3.617178 3.438009 2.848393 3.092973 14 C 2.848336 3.083211 3.437934 3.205877 3.092901 15 C 2.315719 3.029335 3.863268 3.025520 3.923899 16 H 3.492560 4.656230 5.547479 3.956663 5.836411 17 H 3.956568 5.233825 5.547336 3.492379 5.836302 18 H 3.766368 4.622993 4.284839 2.719017 4.367014 19 H 3.328368 3.423912 2.832730 2.790968 2.350231 20 H 2.790546 2.507275 2.832363 3.327975 2.349980 21 H 2.719308 3.185776 4.285167 3.766573 4.367297 22 H 4.284930 4.672108 4.434538 3.897179 3.936716 23 H 3.897147 4.072351 4.434317 4.284927 3.936425 6 7 8 9 10 6 H 0.000000 7 O 2.072082 0.000000 8 H 3.850595 2.081965 0.000000 9 H 3.850632 3.241719 2.689228 0.000000 10 C 5.723538 4.373971 3.489199 2.896373 0.000000 11 C 5.723445 3.987351 2.896254 3.489168 1.407754 12 C 4.878908 3.029104 2.527725 3.705183 2.400932 13 C 4.506383 3.083277 3.507589 4.061195 2.920333 14 C 4.506308 3.617107 4.061169 3.507510 2.516977 15 C 4.879116 3.929663 3.705302 2.527873 1.386605 16 H 6.499641 5.233914 4.092056 3.170549 1.088300 17 H 6.499476 4.656030 3.170339 4.091979 2.165175 18 H 5.194170 3.185396 2.630806 4.479926 3.386188 19 H 3.809122 2.507693 3.526362 4.336005 3.843597 20 H 3.808772 3.423544 4.335642 3.525940 3.382348 21 H 5.194530 4.623245 4.480090 2.631043 2.140839 22 H 5.474545 4.072525 4.447361 5.091188 3.485247 23 H 5.474299 4.671989 5.091277 4.447342 2.989015 11 12 13 14 15 11 C 0.000000 12 C 1.386601 0.000000 13 C 2.516923 1.515123 0.000000 14 C 2.920409 2.558906 1.558178 0.000000 15 C 2.400946 2.729056 2.558885 1.515120 0.000000 16 H 2.165175 3.379515 4.007601 3.490471 2.151538 17 H 1.088299 2.151542 3.490425 4.007681 3.379522 18 H 2.140847 1.089070 2.214524 3.538738 3.811760 19 H 3.382417 2.145615 1.095549 2.211004 3.326273 20 H 3.843478 3.326078 2.211014 1.095546 2.145560 21 H 3.386191 3.811760 3.538740 2.214525 1.089072 22 H 2.988704 2.124765 1.098887 2.183149 3.278195 23 H 3.485646 3.278456 2.183155 1.098886 2.124820 16 17 18 19 20 16 H 0.000000 17 H 2.488779 0.000000 18 H 4.273643 2.468887 0.000000 19 H 4.925123 4.285472 2.487392 0.000000 20 H 4.285411 4.924984 4.214237 2.367082 0.000000 21 H 2.468860 4.273630 4.889398 4.214479 2.487428 22 H 4.523716 3.844603 2.574178 1.748740 2.909423 23 H 3.844900 4.524166 4.218268 2.909189 1.748728 21 22 23 21 H 0.000000 22 H 4.218025 0.000000 23 H 2.574123 2.283821 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 0.758504 -0.694531 -0.971068 2 8 0 1.815882 -1.147917 -0.185857 3 6 0 2.404057 -0.000056 0.418696 4 6 0 0.758510 0.694690 -0.970919 5 1 0 2.199800 -0.000170 1.498211 6 1 0 3.487479 -0.000037 0.240386 7 8 0 1.815881 1.147922 -0.185608 8 1 0 0.506248 1.344767 -1.792061 9 1 0 0.506202 -1.344461 -1.792316 10 6 0 -2.109700 -0.703736 -0.726715 11 6 0 -2.109578 0.704018 -0.726612 12 6 0 -1.193917 1.364520 0.078351 13 6 0 -0.792332 0.778928 1.416786 14 6 0 -0.792258 -0.779250 1.416604 15 6 0 -1.194144 -1.364536 0.078129 16 1 0 -2.649432 -1.244145 -1.501985 17 1 0 -2.649189 1.244634 -1.501821 18 1 0 -1.088432 2.444690 -0.012087 19 1 0 0.181002 1.183383 1.715559 20 1 0 0.181211 -1.183699 1.714932 21 1 0 -1.088848 -2.444708 -0.012524 22 1 0 -1.507688 1.141623 2.167966 23 1 0 -1.507310 -1.142198 2.167950 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9100593 1.0127504 0.9486912 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 1.433365110768 -1.312472938782 -1.835052622500 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 1.433365110768 -1.312472938782 -1.835052622500 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 1.433365110768 -1.312472938782 -1.835052622500 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 1.433365110768 -1.312472938782 -1.835052622500 0.8000000000D+00 0.1000000000D+01 Atom O2 Shell 5 S 6 bf 16 - 16 3.431520117490 -2.169247919964 -0.351218875971 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 O2 Shell 6 SP 3 bf 17 - 20 3.431520117490 -2.169247919964 -0.351218875971 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 O2 Shell 7 SP 1 bf 21 - 24 3.431520117490 -2.169247919964 -0.351218875971 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O2 Shell 8 D 1 bf 25 - 30 3.431520117490 -2.169247919964 -0.351218875971 0.8000000000D+00 0.1000000000D+01 Atom C3 Shell 9 S 6 bf 31 - 31 4.543009360913 -0.000106663405 0.791220726844 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 4.543009360913 -0.000106663405 0.791220726844 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 4.543009360913 -0.000106663405 0.791220726844 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 12 D 1 bf 40 - 45 4.543009360913 -0.000106663405 0.791220726844 0.8000000000D+00 0.1000000000D+01 Atom C4 Shell 13 S 6 bf 46 - 46 1.433375935017 1.312774289273 -1.834771053306 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C4 Shell 14 SP 3 bf 47 - 50 1.433375935017 1.312774289273 -1.834771053306 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C4 Shell 15 SP 1 bf 51 - 54 1.433375935017 1.312774289273 -1.834771053306 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C4 Shell 16 D 1 bf 55 - 60 1.433375935017 1.312774289273 -1.834771053306 0.8000000000D+00 0.1000000000D+01 Atom H5 Shell 17 S 3 bf 61 - 61 4.157019570230 -0.000322167773 2.831208433186 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H5 Shell 18 S 1 bf 62 - 62 4.157019570230 -0.000322167773 2.831208433186 0.1612777588D+00 0.1000000000D+01 Atom H6 Shell 19 S 3 bf 63 - 63 6.590380227249 -0.000070357667 0.454263660089 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H6 Shell 20 S 1 bf 64 - 64 6.590380227249 -0.000070357667 0.454263660089 0.1612777588D+00 0.1000000000D+01 Atom O7 Shell 21 S 6 bf 65 - 65 3.431517378146 2.169259035233 -0.350748334164 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 O7 Shell 22 SP 3 bf 66 - 69 3.431517378146 2.169259035233 -0.350748334164 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 O7 Shell 23 SP 1 bf 70 - 73 3.431517378146 2.169259035233 -0.350748334164 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O7 Shell 24 D 1 bf 74 - 79 3.431517378146 2.169259035233 -0.350748334164 0.8000000000D+00 0.1000000000D+01 Atom H8 Shell 25 S 3 bf 80 - 80 0.956669600710 2.541241691207 -3.386504549516 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H8 Shell 26 S 1 bf 81 - 81 0.956669600710 2.541241691207 -3.386504549516 0.1612777588D+00 0.1000000000D+01 Atom H9 Shell 27 S 3 bf 82 - 82 0.956583668508 -2.540662737698 -3.386986429680 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H9 Shell 28 S 1 bf 83 - 83 0.956583668508 -2.540662737698 -3.386986429680 0.1612777588D+00 0.1000000000D+01 Atom C10 Shell 29 S 6 bf 84 - 84 -3.986754939073 -1.329868929269 -1.373292372751 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 C10 Shell 30 SP 3 bf 85 - 88 -3.986754939073 -1.329868929269 -1.373292372751 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 C10 Shell 31 SP 1 bf 89 - 92 -3.986754939073 -1.329868929269 -1.373292372751 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C10 Shell 32 D 1 bf 93 - 98 -3.986754939073 -1.329868929269 -1.373292372751 0.8000000000D+00 0.1000000000D+01 Atom C11 Shell 33 S 6 bf 99 - 99 -3.986524913450 1.330400593251 -1.373097730959 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 C11 Shell 34 SP 3 bf 100 - 103 -3.986524913450 1.330400593251 -1.373097730959 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 C11 Shell 35 SP 1 bf 104 - 107 -3.986524913450 1.330400593251 -1.373097730959 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C11 Shell 36 D 1 bf 108 - 113 -3.986524913450 1.330400593251 -1.373097730959 0.8000000000D+00 0.1000000000D+01 Atom C12 Shell 37 S 6 bf 114 - 114 -2.256176637317 2.578568822332 0.148061886147 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 C12 Shell 38 SP 3 bf 115 - 118 -2.256176637317 2.578568822332 0.148061886147 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 C12 Shell 39 SP 1 bf 119 - 122 -2.256176637317 2.578568822332 0.148061886147 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C12 Shell 40 D 1 bf 123 - 128 -2.256176637317 2.578568822332 0.148061886147 0.8000000000D+00 0.1000000000D+01 Atom C13 Shell 41 S 6 bf 129 - 129 -1.497290751533 1.471960465337 2.677337482816 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 42 SP 3 bf 130 - 133 -1.497290751533 1.471960465337 2.677337482816 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 43 SP 1 bf 134 - 137 -1.497290751533 1.471960465337 2.677337482816 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C13 Shell 44 D 1 bf 138 - 143 -1.497290751533 1.471960465337 2.677337482816 0.8000000000D+00 0.1000000000D+01 Atom C14 Shell 45 S 6 bf 144 - 144 -1.497150335166 -1.472569220923 2.676993552659 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 C14 Shell 46 SP 3 bf 145 - 148 -1.497150335166 -1.472569220923 2.676993552659 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 C14 Shell 47 SP 1 bf 149 - 152 -1.497150335166 -1.472569220923 2.676993552659 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C14 Shell 48 D 1 bf 153 - 158 -1.497150335166 -1.472569220923 2.676993552659 0.8000000000D+00 0.1000000000D+01 Atom C15 Shell 49 S 6 bf 159 - 159 -2.256604595211 -2.578599619061 0.147642366945 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C15 Shell 50 SP 3 bf 160 - 163 -2.256604595211 -2.578599619061 0.147642366945 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C15 Shell 51 SP 1 bf 164 - 167 -2.256604595211 -2.578599619061 0.147642366945 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C15 Shell 52 D 1 bf 168 - 173 -2.256604595211 -2.578599619061 0.147642366945 0.8000000000D+00 0.1000000000D+01 Atom H16 Shell 53 S 3 bf 174 - 174 -5.006700404239 -2.351094138753 -2.838340351793 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H16 Shell 54 S 1 bf 175 - 175 -5.006700404239 -2.351094138753 -2.838340351793 0.1612777588D+00 0.1000000000D+01 Atom H17 Shell 55 S 3 bf 176 - 176 -5.006242121808 2.352016576614 -2.838030436707 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H17 Shell 56 S 1 bf 177 - 177 -5.006242121808 2.352016576614 -2.838030436707 0.1612777588D+00 0.1000000000D+01 Atom H18 Shell 57 S 3 bf 178 - 178 -2.056839275927 4.619794338327 -0.022841165859 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H18 Shell 58 S 1 bf 179 - 179 -2.056839275927 4.619794338327 -0.022841165859 0.1612777588D+00 0.1000000000D+01 Atom H19 Shell 59 S 3 bf 180 - 180 0.342043794617 2.236270008614 3.241936628716 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H19 Shell 60 S 1 bf 181 - 181 0.342043794617 2.236270008614 3.241936628716 0.1612777588D+00 0.1000000000D+01 Atom H20 Shell 61 S 3 bf 182 - 182 0.342439623362 -2.236866705392 3.240751770431 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H20 Shell 62 S 1 bf 183 - 183 0.342439623362 -2.236866705392 3.240751770431 0.1612777588D+00 0.1000000000D+01 Atom H21 Shell 63 S 3 bf 184 - 184 -2.057623592584 -4.619828836505 -0.023666976179 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H21 Shell 64 S 1 bf 185 - 185 -2.057623592584 -4.619828836505 -0.023666976179 0.1612777588D+00 0.1000000000D+01 Atom H22 Shell 65 S 3 bf 186 - 186 -2.849117813272 2.157354420373 4.096861959317 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 -2.849117813272 2.157354420373 4.096861959317 0.1612777588D+00 0.1000000000D+01 Atom H23 Shell 67 S 3 bf 188 - 188 -2.848402651622 -2.158441806020 4.096831723699 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 -2.848402651622 -2.158441806020 4.096831723699 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 650.5346514866 Hartrees. NAtoms= 23 NActive= 23 NUniq= 23 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 189 RedAO= T EigKep= 1.05D-03 NBF= 189 NBsUse= 189 1.00D-06 EigRej= -1.00D+00 NBFU= 189 ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Keep R1 ints in memory in canonical form, NReq=164758057. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RB3LYP) = -500.488668995 A.U. after 15 cycles NFock= 15 Conv=0.49D-08 -V/T= 2.0093 DoSCS=F DFT=T ScalE2(SS,OS)= 1.000000 1.000000 Range of M.O.s used for correlation: 1 189 NBasis= 189 NAE= 41 NBE= 41 NFC= 0 NFV= 0 NROrb= 189 NOA= 41 NOB= 41 NVA= 148 NVB= 148 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 G2DrvN: will do 24 centers at a time, making 1 passes. Calling FoFCou, ICntrl= 3107 FMM=F I1Cent= 0 AccDes= 0.00D+00. End of G2Drv F.D. properties file 721 does not exist. End of G2Drv F.D. properties file 722 does not exist. End of G2Drv F.D. properties file 788 does not exist. IDoAtm=11111111111111111111111 Differentiating once with respect to nuclear coordinates. Keep R1 ints in memory in canonical form, NReq=164638410. There are 72 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 0. 66 vectors produced by pass 0 Test12= 8.43D-15 1.39D-09 XBig12= 1.51D-01 2.24D-01. AX will form 66 AO Fock derivatives at one time. 66 vectors produced by pass 1 Test12= 8.43D-15 1.39D-09 XBig12= 3.28D-02 4.71D-02. 66 vectors produced by pass 2 Test12= 8.43D-15 1.39D-09 XBig12= 1.99D-04 2.11D-03. 66 vectors produced by pass 3 Test12= 8.43D-15 1.39D-09 XBig12= 1.13D-06 9.83D-05. 66 vectors produced by pass 4 Test12= 8.43D-15 1.39D-09 XBig12= 1.90D-09 4.70D-06. 47 vectors produced by pass 5 Test12= 8.43D-15 1.39D-09 XBig12= 1.72D-12 1.36D-07. 3 vectors produced by pass 6 Test12= 8.43D-15 1.39D-09 XBig12= 1.27D-15 3.19D-09. InvSVY: IOpt=1 It= 1 EMax= 6.66D-16 Solved reduced A of dimension 380 with 72 vectors. End of Minotr F.D. properties file 721 does not exist. End of Minotr F.D. properties file 722 does not exist. End of Minotr F.D. properties file 788 does not exist. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -19.17684 -19.17683 -10.29230 -10.23860 -10.23802 Alpha occ. eigenvalues -- -10.18644 -10.18641 -10.18037 -10.18019 -10.16936 Alpha occ. eigenvalues -- -10.16886 -1.10717 -1.01320 -0.82908 -0.76591 Alpha occ. eigenvalues -- -0.73370 -0.72868 -0.64376 -0.61453 -0.60399 Alpha occ. eigenvalues -- -0.58468 -0.53237 -0.51154 -0.49418 -0.47020 Alpha occ. eigenvalues -- -0.44671 -0.44355 -0.44104 -0.40558 -0.39790 Alpha occ. eigenvalues -- -0.38963 -0.38415 -0.37329 -0.35526 -0.34882 Alpha occ. eigenvalues -- -0.32858 -0.31942 -0.31708 -0.28626 -0.19801 Alpha occ. eigenvalues -- -0.18560 Alpha virt. eigenvalues -- -0.00699 0.01019 0.08379 0.11232 0.11913 Alpha virt. eigenvalues -- 0.12247 0.12316 0.13517 0.14424 0.14526 Alpha virt. eigenvalues -- 0.16394 0.17144 0.17765 0.19270 0.19777 Alpha virt. eigenvalues -- 0.20300 0.22889 0.23612 0.24272 0.24911 Alpha virt. eigenvalues -- 0.30439 0.31363 0.32662 0.37013 0.43216 Alpha virt. eigenvalues -- 0.47398 0.47797 0.49140 0.50831 0.52317 Alpha virt. eigenvalues -- 0.54653 0.54787 0.54867 0.56891 0.57934 Alpha virt. eigenvalues -- 0.60743 0.61335 0.61823 0.63631 0.66309 Alpha virt. eigenvalues -- 0.67863 0.71283 0.72293 0.74094 0.75190 Alpha virt. eigenvalues -- 0.77536 0.79575 0.79877 0.81071 0.82847 Alpha virt. eigenvalues -- 0.84211 0.85443 0.86451 0.88061 0.88445 Alpha virt. eigenvalues -- 0.88520 0.88709 0.89806 0.91385 0.93717 Alpha virt. eigenvalues -- 0.94030 0.95124 1.00794 1.01439 1.02295 Alpha virt. eigenvalues -- 1.02725 1.09209 1.09920 1.11414 1.14921 Alpha virt. eigenvalues -- 1.15187 1.18946 1.20405 1.25127 1.26439 Alpha virt. eigenvalues -- 1.36726 1.37046 1.39833 1.42704 1.43216 Alpha virt. eigenvalues -- 1.43860 1.47574 1.49204 1.52643 1.58530 Alpha virt. eigenvalues -- 1.63999 1.66109 1.72044 1.72342 1.75845 Alpha virt. eigenvalues -- 1.77089 1.79419 1.86001 1.87778 1.88534 Alpha virt. eigenvalues -- 1.90842 1.93562 1.95825 1.97652 1.97838 Alpha virt. eigenvalues -- 1.98101 2.00054 2.01937 2.04161 2.08890 Alpha virt. eigenvalues -- 2.12024 2.14083 2.16019 2.23013 2.25488 Alpha virt. eigenvalues -- 2.26203 2.27991 2.29193 2.30961 2.31855 Alpha virt. eigenvalues -- 2.37117 2.40151 2.43436 2.44809 2.45144 Alpha virt. eigenvalues -- 2.48408 2.52225 2.54538 2.59890 2.62740 Alpha virt. eigenvalues -- 2.64518 2.67569 2.69296 2.69442 2.73616 Alpha virt. eigenvalues -- 2.76592 2.80390 2.86686 2.87995 2.94456 Alpha virt. eigenvalues -- 3.10576 3.13119 4.00622 4.10578 4.12767 Alpha virt. eigenvalues -- 4.25202 4.26809 4.36207 4.37018 4.44858 Alpha virt. eigenvalues -- 4.48935 4.64966 4.87452 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.17684 -19.17683 -10.29230 -10.23860 -10.23802 1 1 C 1S 0.00001 0.00000 -0.00012 0.70023 0.70417 2 2S 0.00025 0.00018 -0.00038 0.03451 0.03569 3 2PX 0.00025 0.00007 0.00006 0.00041 0.00036 4 2PY -0.00013 -0.00008 -0.00014 -0.00024 0.00010 5 2PZ 0.00020 0.00006 0.00002 0.00060 0.00067 6 3S -0.00215 -0.00068 0.00089 -0.00711 -0.01901 7 3PX -0.00110 -0.00007 0.00066 0.00005 -0.00024 8 3PY 0.00056 0.00032 0.00057 0.00049 -0.00480 9 3PZ -0.00097 0.00003 0.00080 -0.00080 -0.00265 10 4XX 0.00012 0.00002 0.00007 -0.00637 -0.00613 11 4YY 0.00014 -0.00006 -0.00003 -0.00643 -0.00591 12 4ZZ 0.00006 -0.00001 -0.00003 -0.00633 -0.00606 13 4XY -0.00006 -0.00005 0.00004 -0.00009 0.00002 14 4XZ 0.00007 0.00001 0.00018 0.00019 0.00019 15 4YZ -0.00005 -0.00005 0.00000 0.00007 0.00001 16 2 O 1S 0.90329 0.41174 -0.00007 -0.00003 -0.00014 17 2S 0.02339 0.01073 0.00001 0.00009 -0.00035 18 2PX -0.00024 -0.00011 -0.00009 0.00008 0.00006 19 2PY 0.00081 0.00035 0.00000 0.00004 -0.00003 20 2PZ -0.00010 -0.00002 -0.00006 0.00006 0.00002 21 3S 0.01209 0.00530 0.00114 -0.00001 0.00352 22 3PX -0.00037 -0.00005 0.00053 -0.00028 -0.00045 23 3PY 0.00031 0.00024 -0.00039 -0.00072 0.00031 24 3PZ -0.00014 -0.00006 0.00039 -0.00014 0.00008 25 4XX -0.00749 -0.00339 -0.00010 -0.00015 -0.00038 26 4YY -0.00754 -0.00348 -0.00050 -0.00004 -0.00038 27 4ZZ -0.00749 -0.00339 -0.00002 -0.00008 -0.00034 28 4XY -0.00001 0.00000 -0.00016 0.00009 0.00017 29 4XZ -0.00003 -0.00004 -0.00020 -0.00032 -0.00037 30 4YZ -0.00002 -0.00001 -0.00020 0.00004 0.00013 31 3 C 1S 0.00001 0.00002 0.99303 0.00001 0.00000 32 2S 0.00012 0.00033 0.04864 -0.00058 0.00000 33 2PX -0.00006 -0.00015 -0.00077 -0.00008 0.00000 34 2PY -0.00039 0.00015 0.00000 0.00000 0.00008 35 2PZ -0.00007 -0.00019 -0.00067 -0.00010 0.00000 36 3S -0.00100 -0.00268 -0.01350 0.00274 0.00001 37 3PX 0.00015 0.00040 0.00060 -0.00136 0.00000 38 3PY 0.00107 -0.00040 0.00000 0.00000 0.00025 39 3PZ 0.00020 0.00054 -0.00001 -0.00099 0.00000 40 4XX 0.00003 0.00008 -0.00875 0.00007 0.00000 41 4YY 0.00014 0.00036 -0.00875 0.00003 0.00000 42 4ZZ 0.00004 0.00010 -0.00878 0.00002 0.00000 43 4XY 0.00012 -0.00005 0.00000 0.00000 0.00002 44 4XZ 0.00003 0.00009 0.00006 0.00025 0.00000 45 4YZ 0.00016 -0.00006 0.00000 0.00000 0.00003 46 4 C 1S -0.00001 0.00001 -0.00012 0.70383 -0.70057 47 2S -0.00007 0.00030 -0.00038 0.03469 -0.03552 48 2PX -0.00015 0.00022 0.00006 0.00041 -0.00036 49 2PY -0.00004 0.00015 0.00014 0.00024 0.00010 50 2PZ -0.00011 0.00017 0.00002 0.00061 -0.00067 51 3S 0.00118 -0.00193 0.00089 -0.00721 0.01897 52 3PX 0.00079 -0.00078 0.00066 0.00005 0.00024 53 3PY 0.00022 -0.00061 -0.00057 -0.00046 -0.00480 54 3PZ 0.00075 -0.00061 0.00080 -0.00081 0.00264 55 4XX -0.00008 0.00009 0.00007 -0.00641 0.00610 56 4YY -0.00014 0.00005 -0.00003 -0.00646 0.00588 57 4ZZ -0.00006 0.00003 -0.00003 -0.00636 0.00603 58 4XY -0.00001 0.00008 -0.00004 0.00009 0.00002 59 4XZ -0.00004 0.00006 0.00018 0.00019 -0.00019 60 4YZ 0.00000 0.00007 0.00000 -0.00007 0.00001 61 5 H 1S 0.00004 0.00011 -0.00007 -0.00013 0.00000 62 2S 0.00006 0.00016 0.00276 -0.00005 0.00000 63 6 H 1S 0.00006 0.00017 -0.00018 -0.00007 0.00000 64 2S 0.00005 0.00012 0.00240 0.00015 0.00000 65 7 O 1S -0.41173 0.90329 -0.00007 -0.00003 0.00014 66 2S -0.01061 0.02344 0.00001 0.00009 0.00035 67 2PX 0.00011 -0.00024 -0.00009 0.00008 -0.00006 68 2PY 0.00039 -0.00079 0.00000 -0.00004 -0.00003 69 2PZ 0.00006 -0.00008 -0.00006 0.00006 -0.00002 70 3S -0.00565 0.01193 0.00114 0.00001 -0.00352 71 3PX 0.00024 -0.00028 0.00053 -0.00028 0.00045 72 3PY 0.00007 -0.00038 0.00039 0.00072 0.00031 73 3PZ 0.00006 -0.00014 0.00039 -0.00014 -0.00008 74 4XX 0.00343 -0.00747 -0.00010 -0.00015 0.00038 75 4YY 0.00341 -0.00757 -0.00050 -0.00004 0.00038 76 4ZZ 0.00343 -0.00748 -0.00002 -0.00008 0.00034 77 4XY -0.00001 0.00001 0.00016 -0.00009 0.00017 78 4XZ 0.00000 -0.00005 -0.00020 -0.00032 0.00037 79 4YZ -0.00001 0.00002 0.00020 -0.00004 0.00013 80 8 H 1S 0.00000 0.00012 0.00006 -0.00026 0.00012 81 2S 0.00009 0.00008 0.00039 0.00140 -0.00070 82 9 H 1S 0.00007 0.00009 0.00006 -0.00026 -0.00012 83 2S -0.00002 0.00012 0.00039 0.00139 0.00070 84 10 C 1S 0.00002 0.00001 -0.00002 -0.00008 -0.00004 85 2S 0.00011 0.00002 -0.00007 -0.00010 -0.00006 86 2PX 0.00001 0.00000 -0.00002 -0.00007 -0.00005 87 2PY 0.00000 0.00001 -0.00005 -0.00001 0.00000 88 2PZ -0.00002 -0.00001 0.00001 0.00003 -0.00001 89 3S -0.00117 -0.00010 0.00019 0.00041 -0.00110 90 3PX -0.00046 -0.00002 0.00024 -0.00002 -0.00054 91 3PY -0.00019 0.00019 0.00025 -0.00017 -0.00035 92 3PZ -0.00028 0.00004 0.00019 -0.00007 -0.00057 93 4XX 0.00001 0.00000 -0.00001 -0.00006 -0.00003 94 4YY 0.00002 0.00001 -0.00003 -0.00006 -0.00005 95 4ZZ 0.00004 0.00002 -0.00003 -0.00007 -0.00004 96 4XY 0.00000 0.00001 0.00001 -0.00002 -0.00001 97 4XZ -0.00002 -0.00001 0.00002 0.00000 0.00001 98 4YZ 0.00001 0.00000 0.00000 -0.00006 -0.00006 99 11 C 1S -0.00001 0.00002 -0.00002 -0.00009 0.00004 100 2S -0.00007 0.00009 -0.00007 -0.00010 0.00006 101 2PX 0.00000 0.00000 -0.00002 -0.00007 0.00005 102 2PY -0.00001 -0.00001 0.00005 0.00001 0.00000 103 2PZ 0.00000 -0.00002 0.00001 0.00003 0.00001 104 3S 0.00082 -0.00084 0.00019 0.00040 0.00110 105 3PX 0.00034 -0.00032 0.00024 -0.00002 0.00054 106 3PY -0.00027 -0.00002 -0.00025 0.00018 -0.00035 107 3PZ 0.00024 -0.00016 0.00019 -0.00007 0.00056 108 4XX -0.00001 0.00001 -0.00001 -0.00006 0.00003 109 4YY -0.00001 0.00002 -0.00003 -0.00006 0.00005 110 4ZZ -0.00002 0.00004 -0.00003 -0.00007 0.00004 111 4XY -0.00001 -0.00001 -0.00001 0.00002 -0.00001 112 4XZ 0.00001 -0.00002 0.00002 0.00000 -0.00001 113 4YZ 0.00001 -0.00001 0.00000 0.00006 -0.00006 114 12 C 1S 0.00002 -0.00002 0.00004 -0.00011 0.00022 115 2S 0.00009 -0.00012 0.00012 -0.00041 0.00085 116 2PX 0.00001 0.00002 0.00003 -0.00010 0.00008 117 2PY 0.00000 0.00000 -0.00006 0.00008 -0.00015 118 2PZ 0.00001 0.00001 0.00003 -0.00003 0.00010 119 3S -0.00082 0.00081 -0.00079 0.00149 -0.00368 120 3PX -0.00006 -0.00012 -0.00019 0.00090 -0.00076 121 3PY 0.00039 -0.00030 0.00067 -0.00037 0.00137 122 3PZ -0.00010 -0.00022 -0.00037 0.00000 0.00002 123 4XX -0.00001 0.00003 0.00004 -0.00005 0.00013 124 4YY 0.00001 -0.00001 0.00004 -0.00020 0.00028 125 4ZZ 0.00001 -0.00001 0.00003 -0.00013 0.00020 126 4XY 0.00000 0.00002 0.00002 -0.00007 0.00010 127 4XZ -0.00001 0.00001 -0.00003 -0.00009 0.00012 128 4YZ 0.00001 0.00001 0.00002 0.00003 -0.00005 129 13 C 1S -0.00001 -0.00001 -0.00002 -0.00010 0.00014 130 2S -0.00004 -0.00004 -0.00005 -0.00012 0.00029 131 2PX -0.00003 0.00001 -0.00006 -0.00013 0.00015 132 2PY 0.00001 0.00000 0.00004 0.00004 0.00001 133 2PZ 0.00002 -0.00003 0.00000 0.00020 -0.00027 134 3S 0.00046 0.00018 0.00051 -0.00023 -0.00029 135 3PX 0.00000 0.00012 0.00002 0.00054 -0.00141 136 3PY -0.00014 0.00014 0.00001 -0.00019 0.00084 137 3PZ -0.00039 0.00024 -0.00041 -0.00027 0.00056 138 4XX -0.00003 0.00001 -0.00003 -0.00006 0.00011 139 4YY -0.00001 -0.00001 -0.00002 -0.00010 0.00010 140 4ZZ 0.00000 -0.00003 0.00002 -0.00011 0.00016 141 4XY 0.00000 0.00000 0.00002 0.00001 0.00005 142 4XZ 0.00002 -0.00002 0.00003 0.00001 -0.00003 143 4YZ 0.00001 0.00000 -0.00001 -0.00004 -0.00003 144 14 C 1S 0.00000 -0.00001 -0.00002 -0.00010 -0.00014 145 2S 0.00001 -0.00006 -0.00005 -0.00012 -0.00029 146 2PX 0.00003 -0.00001 -0.00006 -0.00013 -0.00015 147 2PY 0.00001 -0.00001 -0.00004 -0.00004 0.00001 148 2PZ -0.00003 -0.00001 0.00000 0.00020 0.00028 149 3S -0.00023 0.00044 0.00051 -0.00023 0.00029 150 3PX 0.00008 0.00009 0.00001 0.00054 0.00141 151 3PY -0.00020 -0.00001 -0.00001 0.00019 0.00084 152 3PZ 0.00045 -0.00008 -0.00041 -0.00027 -0.00057 153 4XX 0.00002 -0.00001 -0.00003 -0.00006 -0.00011 154 4YY 0.00000 -0.00001 -0.00002 -0.00010 -0.00010 155 4ZZ -0.00001 -0.00002 0.00002 -0.00011 -0.00016 156 4XY 0.00000 0.00000 -0.00002 -0.00001 0.00005 157 4XZ -0.00003 0.00000 0.00003 0.00001 0.00003 158 4YZ 0.00001 -0.00001 0.00001 0.00004 -0.00003 159 15 C 1S -0.00002 0.00000 0.00004 -0.00011 -0.00023 160 2S -0.00015 -0.00003 0.00012 -0.00041 -0.00085 161 2PX 0.00001 0.00002 0.00003 -0.00010 -0.00008 162 2PY 0.00000 0.00000 0.00006 -0.00008 -0.00015 163 2PZ 0.00000 0.00001 0.00003 -0.00003 -0.00010 164 3S 0.00115 0.00007 -0.00079 0.00147 0.00369 165 3PX -0.00003 -0.00012 -0.00019 0.00090 0.00076 166 3PY 0.00049 -0.00003 -0.00067 0.00036 0.00137 167 3PZ -0.00007 -0.00023 -0.00037 0.00000 -0.00002 168 4XX 0.00002 0.00001 0.00004 -0.00005 -0.00013 169 4YY -0.00002 0.00000 0.00004 -0.00020 -0.00028 170 4ZZ -0.00002 0.00000 0.00003 -0.00013 -0.00020 171 4XY -0.00001 -0.00001 -0.00002 0.00007 0.00010 172 4XZ 0.00002 0.00000 -0.00003 -0.00009 -0.00012 173 4YZ 0.00000 -0.00001 -0.00002 -0.00003 -0.00005 174 16 H 1S 0.00001 0.00002 0.00003 0.00001 -0.00001 175 2S -0.00009 0.00005 0.00012 -0.00020 -0.00028 176 17 H 1S 0.00001 0.00002 0.00003 0.00001 0.00002 177 2S 0.00010 -0.00002 0.00012 -0.00020 0.00028 178 18 H 1S 0.00000 -0.00001 -0.00002 -0.00006 0.00005 179 2S -0.00008 0.00006 -0.00025 -0.00007 -0.00001 180 19 H 1S -0.00007 0.00007 -0.00007 -0.00004 0.00018 181 2S 0.00018 -0.00041 0.00010 -0.00027 0.00023 182 20 H 1S 0.00010 0.00001 -0.00007 -0.00004 -0.00018 183 2S -0.00040 -0.00019 0.00010 -0.00027 -0.00023 184 21 H 1S -0.00001 -0.00001 -0.00002 -0.00006 -0.00005 185 2S 0.00010 -0.00001 -0.00025 -0.00007 0.00001 186 22 H 1S 0.00002 -0.00003 0.00001 0.00005 -0.00013 187 2S 0.00010 -0.00007 0.00012 0.00049 -0.00082 188 23 H 1S -0.00003 -0.00001 0.00001 0.00005 0.00013 189 2S -0.00012 0.00001 0.00012 0.00049 0.00083 6 7 8 9 10 O O O O O Eigenvalues -- -10.18644 -10.18641 -10.18037 -10.18019 -10.16936 1 1 C 1S 0.00019 -0.00011 0.00002 -0.00002 0.00002 2 2S 0.00126 -0.00061 -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 -0.00917 0.00269 0.00022 0.00368 -0.00015 7 3PX 0.00089 -0.00054 0.00033 0.00112 -0.00081 8 3PY -0.00199 -0.00053 0.00048 0.00201 0.00015 9 3PZ -0.00315 0.00075 0.00079 0.00243 -0.00039 10 4XX 0.00005 -0.00003 -0.00012 -0.00011 -0.00014 11 4YY 0.00025 -0.00017 -0.00008 -0.00005 -0.00006 12 4ZZ 0.00023 -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 -0.00005 -0.00006 0.00004 0.00006 16 2 O 1S -0.00010 0.00003 0.00006 0.00003 -0.00004 17 2S -0.00050 0.00015 0.00028 0.00016 -0.00019 18 2PX 0.00007 -0.00004 -0.00001 0.00002 0.00000 19 2PY -0.00003 0.00000 0.00002 -0.00003 -0.00001 20 2PZ -0.00002 -0.00002 0.00002 0.00000 0.00003 21 3S 0.00306 -0.00082 -0.00149 -0.00147 0.00103 22 3PX -0.00129 0.00051 0.00023 0.00053 -0.00029 23 3PY 0.00048 0.00008 -0.00044 -0.00020 0.00015 24 3PZ -0.00021 0.00027 -0.00015 0.00022 -0.00032 25 4XX -0.00012 0.00003 0.00016 -0.00001 -0.00008 26 4YY -0.00031 0.00011 0.00011 0.00007 -0.00012 27 4ZZ -0.00035 0.00014 0.00019 0.00006 -0.00009 28 4XY -0.00006 0.00001 0.00004 0.00004 -0.00004 29 4XZ 0.00002 -0.00002 0.00000 0.00002 0.00006 30 4YZ 0.00000 -0.00001 -0.00001 0.00004 -0.00004 31 3 C 1S 0.00000 0.00002 0.00000 0.00000 -0.00001 32 2S 0.00000 0.00018 -0.00003 0.00000 -0.00008 33 2PX 0.00000 -0.00011 0.00002 0.00000 0.00000 34 2PY 0.00012 0.00000 0.00000 -0.00002 0.00000 35 2PZ 0.00000 0.00006 -0.00010 0.00000 0.00003 36 3S -0.00002 -0.00087 0.00104 0.00001 0.00030 37 3PX 0.00002 0.00065 -0.00041 0.00000 0.00000 38 3PY -0.00024 0.00001 0.00000 0.00026 0.00000 39 3PZ 0.00000 -0.00018 0.00032 0.00000 -0.00006 40 4XX 0.00000 0.00007 -0.00007 0.00000 -0.00002 41 4YY 0.00000 0.00001 0.00003 0.00000 0.00001 42 4ZZ 0.00000 0.00006 -0.00001 0.00000 -0.00004 43 4XY -0.00005 0.00000 0.00000 -0.00003 0.00000 44 4XZ 0.00000 -0.00003 0.00001 0.00000 0.00000 45 4YZ 0.00004 0.00000 0.00000 -0.00002 0.00000 46 4 C 1S -0.00020 -0.00010 0.00002 0.00002 0.00002 47 2S -0.00129 -0.00055 -0.00014 0.00039 -0.00005 48 2PX 0.00020 0.00009 0.00004 -0.00004 0.00014 49 2PY -0.00009 0.00005 0.00016 0.00001 0.00000 50 2PZ -0.00006 -0.00003 -0.00016 0.00021 -0.00001 51 3S 0.00930 0.00222 0.00026 -0.00367 -0.00014 52 3PX -0.00092 -0.00050 0.00034 -0.00111 -0.00079 53 3PY -0.00196 0.00063 -0.00050 0.00201 -0.00015 54 3PZ 0.00319 0.00058 0.00082 -0.00242 -0.00038 55 4XX -0.00005 -0.00003 -0.00012 0.00011 -0.00014 56 4YY -0.00026 -0.00015 -0.00008 0.00005 -0.00006 57 4ZZ -0.00024 -0.00015 -0.00009 0.00012 -0.00013 58 4XY 0.00005 -0.00007 0.00002 -0.00005 -0.00006 59 4XZ -0.00003 -0.00007 0.00005 -0.00009 -0.00008 60 4YZ -0.00004 0.00006 0.00005 0.00004 -0.00006 61 5 H 1S 0.00000 0.00009 -0.00004 0.00000 0.00001 62 2S 0.00001 0.00032 -0.00076 0.00000 -0.00006 63 6 H 1S 0.00000 -0.00002 -0.00002 0.00000 -0.00001 64 2S -0.00001 -0.00026 0.00013 0.00000 -0.00005 65 7 O 1S 0.00010 0.00003 0.00006 -0.00003 -0.00004 66 2S 0.00051 0.00013 0.00028 -0.00016 -0.00019 67 2PX -0.00008 -0.00004 -0.00001 -0.00002 0.00000 68 2PY -0.00003 0.00000 -0.00002 -0.00003 0.00001 69 2PZ 0.00002 -0.00003 0.00002 0.00001 0.00003 70 3S -0.00310 -0.00066 -0.00150 0.00145 0.00101 71 3PX 0.00132 0.00044 0.00023 -0.00052 -0.00029 72 3PY 0.00048 -0.00011 0.00044 -0.00019 -0.00015 73 3PZ 0.00022 0.00026 -0.00014 -0.00022 -0.00032 74 4XX 0.00012 0.00002 0.00016 0.00001 -0.00008 75 4YY 0.00031 0.00009 0.00011 -0.00007 -0.00011 76 4ZZ 0.00036 0.00012 0.00019 -0.00006 -0.00009 77 4XY -0.00006 -0.00001 -0.00004 0.00004 0.00004 78 4XZ -0.00002 -0.00002 0.00000 -0.00002 0.00005 79 4YZ 0.00000 0.00001 0.00001 0.00004 0.00004 80 8 H 1S -0.00022 -0.00014 0.00008 -0.00014 -0.00011 81 2S 0.00039 -0.00029 0.00058 -0.00118 -0.00007 82 9 H 1S 0.00022 -0.00015 0.00008 0.00014 -0.00011 83 2S -0.00040 -0.00027 0.00057 0.00118 -0.00007 84 10 C 1S -0.01145 0.01240 -0.00068 -0.00057 0.70480 85 2S -0.00008 0.00020 -0.00022 -0.00022 0.03500 86 2PX -0.00001 -0.00013 -0.00005 -0.00008 0.00024 87 2PY -0.00014 0.00007 -0.00007 0.00004 -0.00013 88 2PZ 0.00012 -0.00016 -0.00010 -0.00007 -0.00002 89 3S -0.01065 0.00353 0.00052 0.00042 -0.00770 90 3PX -0.00399 0.00129 0.00034 0.00050 -0.00093 91 3PY -0.00108 -0.00040 -0.00003 -0.00006 0.00066 92 3PZ -0.00428 0.00121 0.00032 0.00030 -0.00043 93 4XX 0.00021 -0.00024 -0.00007 -0.00004 -0.00674 94 4YY 0.00030 -0.00022 -0.00002 -0.00003 -0.00679 95 4ZZ 0.00024 -0.00027 -0.00004 -0.00003 -0.00668 96 4XY -0.00009 0.00013 -0.00007 -0.00002 -0.00001 97 4XZ 0.00004 -0.00003 0.00005 0.00004 0.00011 98 4YZ -0.00009 0.00009 0.00000 0.00005 0.00001 99 11 C 1S 0.01207 0.01179 -0.00068 0.00056 0.69878 100 2S 0.00009 0.00019 -0.00022 0.00022 0.03470 101 2PX 0.00000 -0.00013 -0.00005 0.00008 0.00024 102 2PY -0.00015 -0.00006 0.00007 0.00004 0.00014 103 2PZ -0.00013 -0.00016 -0.00011 0.00007 -0.00002 104 3S 0.01082 0.00297 0.00053 -0.00042 -0.00755 105 3PX 0.00405 0.00108 0.00034 -0.00050 -0.00091 106 3PY -0.00106 0.00045 0.00003 -0.00006 -0.00069 107 3PZ 0.00433 0.00098 0.00033 -0.00030 -0.00041 108 4XX -0.00023 -0.00022 -0.00007 0.00004 -0.00669 109 4YY -0.00031 -0.00020 -0.00002 0.00003 -0.00674 110 4ZZ -0.00025 -0.00026 -0.00004 0.00003 -0.00662 111 4XY -0.00010 -0.00012 0.00007 -0.00002 0.00000 112 4XZ -0.00004 -0.00003 0.00005 -0.00004 0.00011 113 4YZ -0.00009 -0.00009 0.00000 0.00005 -0.00001 114 12 C 1S 0.72010 0.68355 -0.01407 0.01375 -0.01230 115 2S 0.03739 0.03419 -0.00083 0.00072 -0.00083 116 2PX 0.00031 0.00010 -0.00001 -0.00004 0.00019 117 2PY -0.00053 -0.00010 0.00005 0.00002 0.00009 118 2PZ 0.00005 -0.00001 -0.00012 -0.00008 0.00010 119 3S -0.02240 -0.01197 0.00288 -0.00389 0.00248 120 3PX 0.00038 -0.00020 0.00061 -0.00047 -0.00092 121 3PY 0.00669 0.00095 -0.00039 0.00097 -0.00060 122 3PZ -0.00040 -0.00004 0.00169 -0.00177 -0.00083 123 4XX -0.00613 -0.00625 -0.00001 -0.00007 -0.00002 124 4YY -0.00601 -0.00605 0.00008 -0.00004 0.00009 125 4ZZ -0.00617 -0.00618 -0.00013 0.00010 0.00000 126 4XY 0.00004 0.00009 0.00003 -0.00006 -0.00003 127 4XZ 0.00005 0.00016 -0.00004 0.00002 -0.00008 128 4YZ 0.00003 0.00003 0.00006 -0.00003 -0.00001 129 13 C 1S 0.01403 0.01348 0.70590 -0.69829 0.00037 130 2S 0.00036 0.00050 0.03550 -0.03583 -0.00015 131 2PX 0.00010 0.00003 0.00001 -0.00002 0.00010 132 2PY -0.00007 0.00000 0.00003 0.00003 0.00004 133 2PZ -0.00022 0.00006 -0.00014 0.00019 0.00004 134 3S 0.00761 0.00258 -0.01079 0.01967 0.00035 135 3PX -0.00214 -0.00033 -0.00002 0.00000 -0.00037 136 3PY -0.00036 0.00042 -0.00119 -0.00268 0.00002 137 3PZ -0.00306 -0.00120 0.00087 -0.00191 -0.00019 138 4XX -0.00016 -0.00023 -0.00631 0.00598 -0.00007 139 4YY -0.00022 -0.00024 -0.00667 0.00594 -0.00005 140 4ZZ -0.00020 -0.00032 -0.00640 0.00608 0.00000 141 4XY 0.00005 0.00003 0.00000 0.00000 -0.00001 142 4XZ -0.00007 -0.00006 -0.00003 0.00004 0.00004 143 4YZ 0.00016 0.00016 0.00005 0.00005 -0.00002 144 14 C 1S -0.01332 0.01419 0.69804 0.70615 0.00037 145 2S -0.00033 0.00051 0.03510 0.03622 -0.00015 146 2PX -0.00010 0.00004 0.00001 0.00002 0.00010 147 2PY -0.00007 0.00001 -0.00003 0.00003 -0.00004 148 2PZ 0.00023 0.00005 -0.00014 -0.00020 0.00004 149 3S -0.00747 0.00297 -0.01057 -0.01979 0.00034 150 3PX 0.00212 -0.00044 -0.00002 0.00000 -0.00037 151 3PY -0.00038 -0.00040 0.00122 -0.00267 -0.00002 152 3PZ 0.00299 -0.00135 0.00085 0.00192 -0.00019 153 4XX 0.00015 -0.00024 -0.00624 -0.00605 -0.00007 154 4YY 0.00020 -0.00025 -0.00660 -0.00601 -0.00005 155 4ZZ 0.00018 -0.00033 -0.00633 -0.00615 0.00000 156 4XY 0.00005 -0.00003 0.00000 0.00000 0.00001 157 4XZ 0.00007 -0.00006 -0.00003 -0.00004 0.00004 158 4YZ 0.00015 -0.00017 -0.00006 0.00005 0.00002 159 15 C 1S -0.68386 0.71980 -0.01391 -0.01390 -0.01240 160 2S -0.03558 0.03607 -0.00083 -0.00073 -0.00084 161 2PX -0.00031 0.00012 -0.00001 0.00004 0.00019 162 2PY -0.00052 0.00013 -0.00005 0.00002 -0.00009 163 2PZ -0.00005 -0.00001 -0.00012 0.00008 0.00010 164 3S 0.02175 -0.01310 0.00284 0.00393 0.00252 165 3PX -0.00038 -0.00018 0.00061 0.00048 -0.00093 166 3PY 0.00663 -0.00129 0.00038 0.00097 0.00061 167 3PZ 0.00040 -0.00006 0.00167 0.00179 -0.00083 168 4XX 0.00580 -0.00656 -0.00001 0.00007 -0.00002 169 4YY 0.00569 -0.00636 0.00008 0.00004 0.00009 170 4ZZ 0.00584 -0.00649 -0.00013 -0.00010 0.00000 171 4XY 0.00004 -0.00010 -0.00003 -0.00007 0.00003 172 4XZ -0.00004 0.00016 -0.00004 -0.00002 -0.00008 173 4YZ 0.00003 -0.00004 -0.00006 -0.00003 0.00001 174 16 H 1S -0.00007 -0.00007 0.00001 0.00001 -0.00031 175 2S -0.00113 0.00033 0.00026 0.00024 0.00135 176 17 H 1S 0.00006 -0.00007 0.00001 -0.00001 -0.00031 177 2S 0.00114 0.00027 0.00026 -0.00024 0.00134 178 18 H 1S -0.00021 -0.00011 -0.00011 0.00006 -0.00004 179 2S 0.00029 0.00168 -0.00002 0.00006 0.00009 180 19 H 1S -0.00013 -0.00009 -0.00010 -0.00031 0.00001 181 2S 0.00060 0.00009 0.00221 -0.00210 0.00030 182 20 H 1S 0.00012 -0.00010 -0.00010 0.00031 0.00001 183 2S -0.00059 0.00012 0.00219 0.00213 0.00031 184 21 H 1S 0.00020 -0.00012 -0.00011 -0.00006 -0.00004 185 2S -0.00021 0.00169 -0.00002 -0.00006 0.00009 186 22 H 1S -0.00040 -0.00011 -0.00009 -0.00020 -0.00005 187 2S -0.00013 0.00014 0.00179 -0.00176 -0.00013 188 23 H 1S 0.00039 -0.00013 -0.00009 0.00020 -0.00005 189 2S 0.00014 0.00014 0.00177 0.00178 -0.00014 11 12 13 14 15 O O O O O Eigenvalues -- -10.16886 -1.10717 -1.01320 -0.82908 -0.76591 1 1 C 1S -0.00001 -0.05621 -0.04408 -0.02570 -0.12240 2 2S -0.00003 0.10426 0.08664 0.05206 0.24580 3 2PX -0.00007 0.05979 0.06053 -0.01488 0.02205 4 2PY -0.00003 0.00911 -0.04361 0.01419 0.06650 5 2PZ -0.00003 0.04382 0.04454 0.00150 -0.00991 6 3S 0.00084 0.03495 -0.00909 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 -0.00106 -0.00590 10 4XX 0.00011 0.00382 0.00644 -0.00140 -0.00970 11 4YY 0.00005 -0.00147 -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 O 1S 0.00006 -0.13125 -0.15242 0.00883 0.01419 17 2S 0.00030 0.28412 0.33479 -0.02049 -0.03359 18 2PX -0.00002 -0.02242 -0.03040 -0.02008 -0.12266 19 2PY 0.00000 0.08689 0.06083 -0.00854 -0.03559 20 2PZ -0.00003 -0.00833 -0.01425 -0.01174 -0.10844 21 3S -0.00183 0.28832 0.35799 -0.02274 -0.03739 22 3PX 0.00052 -0.00923 -0.02342 -0.00987 -0.05543 23 3PY -0.00020 0.05298 0.03672 -0.00479 -0.01554 24 3PZ 0.00040 -0.00213 -0.01098 -0.00502 -0.04937 25 4XX 0.00012 -0.00171 0.00000 0.00129 0.00396 26 4YY 0.00019 0.00722 -0.00050 -0.00136 -0.00582 27 4ZZ 0.00016 -0.00460 -0.00387 0.00018 0.00101 28 4XY 0.00004 -0.00045 -0.00198 -0.00195 -0.01122 29 4XZ -0.00004 0.00716 0.00771 0.00022 0.00388 30 4YZ 0.00003 0.00191 0.00021 -0.00132 -0.01023 31 3 C 1S 0.00000 -0.08320 0.00000 0.01834 0.11738 32 2S 0.00000 0.16015 0.00000 -0.03863 -0.24499 33 2PX 0.00000 -0.06128 0.00000 0.00171 -0.01012 34 2PY -0.00002 0.00001 -0.12748 0.00000 0.00000 35 2PZ 0.00000 -0.05993 -0.00001 0.00672 -0.00417 36 3S 0.00000 0.02856 0.00000 -0.02224 -0.17824 37 3PX 0.00000 0.00866 0.00000 -0.00494 -0.00891 38 3PY 0.00011 0.00000 -0.00620 0.00000 0.00000 39 3PZ 0.00000 0.01227 0.00000 -0.00136 -0.00931 40 4XX 0.00000 -0.00116 0.00000 0.00107 0.00503 41 4YY 0.00000 0.00726 0.00000 -0.00129 -0.00324 42 4ZZ 0.00000 -0.00224 0.00000 0.00059 0.00459 43 4XY 0.00000 0.00000 0.01755 0.00000 0.00000 44 4XZ 0.00000 0.00959 0.00000 -0.00019 0.00357 45 4YZ -0.00001 0.00000 0.01777 0.00000 0.00000 46 4 C 1S 0.00001 -0.05621 0.04408 -0.02571 -0.12241 47 2S 0.00003 0.10426 -0.08664 0.05207 0.24580 48 2PX 0.00007 0.05979 -0.06053 -0.01488 0.02205 49 2PY -0.00003 -0.00912 -0.04360 -0.01419 -0.06650 50 2PZ 0.00003 0.04382 -0.04455 0.00150 -0.00993 51 3S -0.00084 0.03495 0.00910 0.03217 0.17211 52 3PX -0.00159 -0.00366 0.01821 -0.00320 -0.00226 53 3PY 0.00011 0.00021 -0.01692 -0.00195 -0.01028 54 3PZ -0.00139 -0.00408 0.02568 -0.00107 -0.00590 55 4XX -0.00012 0.00382 -0.00644 -0.00140 -0.00970 56 4YY -0.00005 -0.00147 0.00861 0.00137 0.00604 57 4ZZ -0.00006 -0.00073 -0.00180 -0.00082 -0.00696 58 4XY 0.00002 0.00226 -0.00613 0.00011 0.00065 59 4XZ -0.00007 0.01131 -0.01155 -0.00055 0.00474 60 4YZ -0.00005 0.00084 -0.00358 -0.00099 -0.00231 61 5 H 1S 0.00000 0.02534 0.00000 -0.00825 -0.07516 62 2S 0.00000 -0.00230 0.00000 0.00196 -0.01513 63 6 H 1S 0.00000 0.02455 0.00000 -0.01041 -0.07732 64 2S 0.00000 0.00139 0.00000 0.00001 -0.01628 65 7 O 1S -0.00006 -0.13125 0.15242 0.00883 0.01419 66 2S -0.00030 0.28412 -0.33479 -0.02049 -0.03359 67 2PX 0.00002 -0.02241 0.03039 -0.02008 -0.12266 68 2PY 0.00000 -0.08689 0.06083 0.00854 0.03561 69 2PZ 0.00003 -0.00835 0.01426 -0.01174 -0.10844 70 3S 0.00184 0.28832 -0.35799 -0.02274 -0.03739 71 3PX -0.00052 -0.00923 0.02341 -0.00987 -0.05543 72 3PY -0.00020 -0.05298 0.03672 0.00479 0.01555 73 3PZ -0.00040 -0.00214 0.01099 -0.00502 -0.04936 74 4XX -0.00012 -0.00171 0.00000 0.00129 0.00396 75 4YY -0.00019 0.00722 0.00050 -0.00136 -0.00583 76 4ZZ -0.00016 -0.00460 0.00387 0.00018 0.00101 77 4XY 0.00004 0.00045 -0.00198 0.00195 0.01122 78 4XZ 0.00005 0.00716 -0.00771 0.00022 0.00388 79 4YZ 0.00003 -0.00191 0.00021 0.00132 0.01023 80 8 H 1S -0.00023 0.01251 -0.01447 0.01509 0.06814 81 2S -0.00031 -0.00345 0.00847 0.00255 0.01258 82 9 H 1S 0.00023 0.01251 0.01447 0.01508 0.06813 83 2S 0.00031 -0.00346 -0.00847 0.00255 0.01258 84 10 C 1S -0.69908 -0.00034 0.00002 -0.09538 0.01854 85 2S -0.03543 0.00232 0.00271 0.18221 -0.03476 86 2PX -0.00026 0.00108 0.00075 0.03994 -0.00118 87 2PY -0.00029 0.00042 -0.00050 0.02997 -0.00676 88 2PZ -0.00005 0.00015 0.00009 0.03308 -0.00784 89 3S 0.01695 -0.00444 -0.02195 0.11188 -0.03009 90 3PX 0.00239 -0.00291 -0.00854 0.00064 -0.00202 91 3PY 0.00338 -0.00016 -0.01026 0.00183 -0.00013 92 3PZ 0.00171 -0.00115 -0.00564 -0.00174 -0.00222 93 4XX 0.00643 0.00025 0.00018 -0.00440 0.00179 94 4YY 0.00608 0.00030 0.00009 0.00298 -0.00056 95 4ZZ 0.00634 0.00041 0.00045 -0.00337 0.00066 96 4XY 0.00012 0.00008 -0.00026 -0.00028 0.00023 97 4XZ -0.00014 -0.00007 -0.00015 0.00711 -0.00167 98 4YZ 0.00004 0.00005 -0.00006 0.00046 -0.00014 99 11 C 1S 0.70509 -0.00034 -0.00002 -0.09538 0.01853 100 2S 0.03573 0.00232 -0.00271 0.18221 -0.03474 101 2PX 0.00026 0.00108 -0.00075 0.03994 -0.00117 102 2PY -0.00029 -0.00042 -0.00050 -0.02998 0.00677 103 2PZ 0.00005 0.00015 -0.00009 0.03308 -0.00783 104 3S -0.01701 -0.00445 0.02195 0.11188 -0.03009 105 3PX -0.00240 -0.00292 0.00854 0.00063 -0.00202 106 3PY 0.00337 0.00016 -0.01026 -0.00183 0.00014 107 3PZ -0.00172 -0.00115 0.00564 -0.00174 -0.00222 108 4XX -0.00649 0.00025 -0.00018 -0.00440 0.00179 109 4YY -0.00614 0.00030 -0.00009 0.00298 -0.00056 110 4ZZ -0.00640 0.00041 -0.00045 -0.00337 0.00066 111 4XY 0.00012 -0.00008 -0.00026 0.00028 -0.00023 112 4XZ 0.00014 -0.00007 0.00015 0.00711 -0.00167 113 4YZ 0.00004 -0.00005 -0.00006 -0.00046 0.00014 114 12 C 1S -0.01210 -0.00188 0.00246 -0.09140 0.01321 115 2S -0.00074 0.00225 -0.00017 0.17063 -0.02625 116 2PX 0.00009 0.00154 -0.00109 -0.02432 0.01434 117 2PY 0.00010 -0.00063 -0.00058 -0.04654 0.00801 118 2PZ 0.00002 -0.00023 0.00070 0.00317 -0.01051 119 3S 0.00447 0.00685 -0.02164 0.13187 -0.01328 120 3PX -0.00093 0.00007 -0.00423 -0.00049 0.00160 121 3PY -0.00162 -0.00219 0.01160 -0.01393 -0.00134 122 3PZ -0.00061 -0.00034 -0.00364 0.00078 -0.00607 123 4XX -0.00009 0.00010 0.00015 -0.00551 0.00153 124 4YY -0.00006 -0.00028 0.00082 0.00086 -0.00027 125 4ZZ -0.00002 -0.00022 0.00068 -0.00068 -0.00068 126 4XY -0.00005 -0.00001 0.00005 0.00343 -0.00111 127 4XZ -0.00016 0.00007 -0.00012 0.00599 -0.00192 128 4YZ -0.00006 0.00001 0.00009 -0.00074 0.00092 129 13 C 1S 0.00027 -0.00166 0.00115 -0.08158 0.02465 130 2S -0.00014 0.00239 -0.00198 0.15286 -0.04710 131 2PX 0.00008 0.00108 -0.00111 -0.01409 0.00546 132 2PY -0.00003 0.00017 -0.00083 -0.01819 0.00662 133 2PZ 0.00009 -0.00087 0.00018 -0.03442 0.00014 134 3S -0.00017 -0.00019 0.00794 0.11365 -0.03489 135 3PX -0.00035 0.00161 -0.00279 -0.00242 0.00123 136 3PY -0.00006 -0.00162 0.00171 -0.00282 0.00328 137 3PZ -0.00004 -0.00105 -0.00241 -0.00208 0.00027 138 4XX -0.00005 0.00007 -0.00018 -0.00223 0.00040 139 4YY -0.00004 -0.00016 0.00028 0.00150 -0.00058 140 4ZZ -0.00001 -0.00021 0.00035 0.00107 0.00072 141 4XY 0.00004 0.00001 0.00000 -0.00006 -0.00006 142 4XZ 0.00002 -0.00030 0.00037 0.00194 -0.00065 143 4YZ 0.00001 -0.00008 0.00004 -0.00015 -0.00012 144 14 C 1S -0.00026 -0.00166 -0.00115 -0.08158 0.02466 145 2S 0.00014 0.00239 0.00198 0.15285 -0.04711 146 2PX -0.00007 0.00108 0.00111 -0.01409 0.00546 147 2PY -0.00003 -0.00017 -0.00083 0.01820 -0.00662 148 2PZ -0.00009 -0.00087 -0.00018 -0.03441 0.00014 149 3S 0.00017 -0.00019 -0.00794 0.11365 -0.03489 150 3PX 0.00035 0.00161 0.00280 -0.00241 0.00123 151 3PY -0.00006 0.00162 0.00171 0.00282 -0.00327 152 3PZ 0.00004 -0.00105 0.00241 -0.00208 0.00027 153 4XX 0.00005 0.00007 0.00018 -0.00223 0.00040 154 4YY 0.00004 -0.00016 -0.00028 0.00150 -0.00058 155 4ZZ 0.00001 -0.00021 -0.00035 0.00107 0.00072 156 4XY 0.00004 -0.00001 0.00000 0.00006 0.00006 157 4XZ -0.00002 -0.00030 -0.00037 0.00194 -0.00065 158 4YZ 0.00001 0.00008 0.00004 0.00015 0.00012 159 15 C 1S 0.01200 -0.00188 -0.00246 -0.09139 0.01323 160 2S 0.00074 0.00225 0.00017 0.17062 -0.02628 161 2PX -0.00009 0.00154 0.00109 -0.02431 0.01434 162 2PY 0.00010 0.00063 -0.00058 0.04654 -0.00801 163 2PZ -0.00002 -0.00023 -0.00070 0.00318 -0.01051 164 3S -0.00445 0.00685 0.02164 0.13186 -0.01331 165 3PX 0.00093 0.00007 0.00423 -0.00049 0.00160 166 3PY -0.00161 0.00219 0.01160 0.01392 0.00134 167 3PZ 0.00060 -0.00034 0.00365 0.00078 -0.00606 168 4XX 0.00009 0.00010 -0.00015 -0.00551 0.00153 169 4YY 0.00006 -0.00028 -0.00082 0.00087 -0.00027 170 4ZZ 0.00002 -0.00022 -0.00068 -0.00068 -0.00068 171 4XY -0.00005 0.00001 0.00005 -0.00343 0.00112 172 4XZ 0.00016 0.00007 0.00012 0.00599 -0.00192 173 4YZ -0.00006 -0.00001 0.00009 0.00074 -0.00092 174 16 H 1S 0.00025 0.00012 -0.00004 0.03708 -0.00830 175 2S -0.00074 -0.00043 -0.00320 0.00181 -0.00145 176 17 H 1S -0.00025 0.00012 0.00004 0.03708 -0.00829 177 2S 0.00075 -0.00043 0.00320 0.00181 -0.00145 178 18 H 1S 0.00001 0.00044 -0.00093 0.03736 -0.00454 179 2S 0.00013 0.00104 -0.00364 0.00636 0.00024 180 19 H 1S 0.00002 0.00209 -0.00253 0.03706 -0.01329 181 2S 0.00033 0.00186 -0.00188 0.00200 -0.00618 182 20 H 1S -0.00002 0.00210 0.00254 0.03706 -0.01329 183 2S -0.00032 0.00186 0.00187 0.00200 -0.00618 184 21 H 1S -0.00001 0.00044 0.00093 0.03736 -0.00455 185 2S -0.00012 0.00104 0.00364 0.00635 0.00024 186 22 H 1S -0.00005 0.00050 -0.00061 0.03922 -0.01538 187 2S -0.00007 0.00121 -0.00136 0.00320 -0.00367 188 23 H 1S 0.00005 0.00050 0.00061 0.03921 -0.01538 189 2S 0.00007 0.00121 0.00136 0.00321 -0.00367 16 17 18 19 20 O O O O O Eigenvalues -- -0.73370 -0.72868 -0.64376 -0.61453 -0.60399 1 1 C 1S -0.00475 -0.01207 -0.07241 -0.09541 0.02250 2 2S 0.00928 0.02324 0.14729 0.19678 -0.04501 3 2PX 0.00302 -0.01226 -0.08531 0.03100 -0.01197 4 2PY 0.00304 -0.01515 0.15595 -0.13077 0.03063 5 2PZ 0.00726 0.00043 -0.08058 -0.01989 -0.00234 6 3S 0.00868 0.02696 0.12859 0.18873 -0.05485 7 3PX 0.00049 -0.00446 -0.02247 -0.00190 -0.00808 8 3PY -0.00014 0.00039 0.02897 -0.02718 0.00269 9 3PZ 0.00264 0.00237 -0.01968 -0.01220 -0.00727 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 O 1S 0.00235 0.00715 0.07106 0.02548 -0.00812 17 2S -0.00548 -0.01658 -0.16574 -0.05881 0.01850 18 2PX -0.01379 -0.01549 0.07316 -0.18528 0.05831 19 2PY -0.00429 -0.00677 0.08875 -0.05652 0.01760 20 2PZ -0.00318 -0.00677 0.06654 -0.16881 0.04084 21 3S -0.00824 -0.02076 -0.22092 -0.08045 0.03084 22 3PX -0.00676 -0.00714 0.02849 -0.08559 0.02718 23 3PY -0.00336 -0.00377 0.04835 -0.02424 0.00915 24 3PZ -0.00013 -0.00252 0.02633 -0.07957 0.01597 25 4XX 0.00056 0.00102 -0.00023 0.00599 -0.00168 26 4YY -0.00086 -0.00046 0.01009 -0.00336 0.00116 27 4ZZ 0.00012 0.00029 0.00085 0.00283 -0.00068 28 4XY -0.00114 -0.00052 0.00146 -0.00716 0.00216 29 4XZ -0.00032 0.00003 0.00109 0.00506 -0.00057 30 4YZ -0.00038 -0.00035 0.00257 -0.00696 0.00168 31 3 C 1S 0.00912 0.00001 -0.12225 0.00000 0.00000 32 2S -0.01980 -0.00001 0.25807 0.00001 0.00001 33 2PX -0.00442 0.00000 0.06480 0.00000 0.00000 34 2PY 0.00000 0.01881 -0.00001 0.21590 -0.06312 35 2PZ 0.00607 0.00000 0.06778 0.00002 -0.00001 36 3S -0.01503 -0.00001 0.24382 0.00001 0.00001 37 3PX -0.00669 0.00000 0.02131 0.00000 0.00000 38 3PY 0.00000 0.00189 0.00000 0.05677 -0.01520 39 3PZ -0.00182 0.00000 0.02828 0.00001 0.00000 40 4XX 0.00069 0.00000 0.00236 0.00000 0.00000 41 4YY -0.00042 0.00000 -0.01362 0.00000 0.00000 42 4ZZ 0.00029 0.00000 0.00146 0.00000 0.00000 43 4XY 0.00000 -0.00129 0.00000 -0.01287 0.00323 44 4XZ -0.00007 0.00000 -0.00553 0.00000 0.00000 45 4YZ 0.00000 -0.00186 0.00000 -0.01406 0.00448 46 4 C 1S -0.00475 0.01206 -0.07241 0.09540 -0.02251 47 2S 0.00927 -0.02322 0.14730 -0.19676 0.04503 48 2PX 0.00303 0.01227 -0.08531 -0.03100 0.01198 49 2PY -0.00304 -0.01516 -0.15593 -0.13080 0.03061 50 2PZ 0.00726 -0.00044 -0.08062 0.01986 0.00233 51 3S 0.00866 -0.02694 0.12860 -0.18872 0.05487 52 3PX 0.00050 0.00446 -0.02247 0.00190 0.00808 53 3PY 0.00014 0.00038 -0.02897 -0.02719 0.00268 54 3PZ 0.00263 -0.00237 -0.01968 0.01219 0.00727 55 4XX -0.00120 0.00037 -0.01419 0.00289 -0.00136 56 4YY 0.00015 0.00102 0.00714 0.00733 -0.00180 57 4ZZ 0.00048 0.00010 -0.00463 -0.00003 0.00049 58 4XY 0.00019 0.00103 -0.00809 -0.00478 0.00178 59 4XZ -0.00033 0.00044 -0.00622 -0.00762 0.00190 60 4YZ -0.00006 0.00039 -0.00772 0.00424 -0.00014 61 5 H 1S -0.00190 -0.00001 0.11587 0.00000 0.00000 62 2S 0.00654 0.00000 0.03555 0.00000 0.00000 63 6 H 1S -0.00772 0.00000 0.11585 0.00000 0.00001 64 2S 0.00021 0.00000 0.03820 0.00000 0.00000 65 7 O 1S 0.00235 -0.00715 0.07106 -0.02547 0.00812 66 2S -0.00547 0.01658 -0.16574 0.05880 -0.01852 67 2PX -0.01378 0.01548 0.07316 0.18528 -0.05830 68 2PY 0.00428 -0.00677 -0.08876 -0.05657 0.01760 69 2PZ -0.00318 0.00675 0.06652 0.16880 -0.04085 70 3S -0.00823 0.02076 -0.22093 0.08043 -0.03086 71 3PX -0.00676 0.00714 0.02849 0.08559 -0.02718 72 3PY 0.00336 -0.00377 -0.04835 -0.02426 0.00915 73 3PZ -0.00012 0.00251 0.02632 0.07956 -0.01598 74 4XX 0.00056 -0.00102 -0.00023 -0.00599 0.00168 75 4YY -0.00086 0.00046 0.01010 0.00336 -0.00115 76 4ZZ 0.00012 -0.00029 0.00085 -0.00283 0.00068 77 4XY 0.00114 -0.00052 -0.00146 -0.00716 0.00216 78 4XZ -0.00032 -0.00003 0.00109 -0.00506 0.00057 79 4YZ 0.00038 -0.00035 -0.00257 -0.00696 0.00168 80 8 H 1S -0.00059 -0.01420 0.05360 -0.11567 0.02285 81 2S -0.00151 -0.00614 0.01636 -0.04773 0.01077 82 9 H 1S -0.00058 0.01420 0.05359 0.11567 -0.02285 83 2S -0.00151 0.00614 0.01636 0.04773 -0.01077 84 10 C 1S 0.10570 -0.06444 0.01274 -0.00728 -0.08066 85 2S -0.20536 0.12813 -0.02554 0.01532 0.16377 86 2PX -0.00705 0.04458 0.01059 0.00456 0.02123 87 2PY -0.05187 -0.07806 -0.00820 -0.00961 -0.10416 88 2PZ 0.01101 0.03742 -0.00022 -0.00673 -0.00048 89 3S -0.15234 0.07291 -0.02503 0.00480 0.12772 90 3PX 0.00249 -0.00658 0.00269 -0.00316 -0.00807 91 3PY -0.00493 -0.02229 -0.00068 -0.00246 -0.03748 92 3PZ 0.00882 -0.01008 -0.00274 -0.00497 -0.01708 93 4XX 0.00670 0.00004 0.00186 0.00029 -0.00146 94 4YY -0.00490 -0.00641 -0.00089 -0.00069 -0.00748 95 4ZZ 0.00601 0.00096 0.00004 -0.00053 -0.00057 96 4XY -0.00085 -0.00408 0.00012 -0.00033 -0.00109 97 4XZ -0.00472 0.00713 -0.00107 0.00002 0.00613 98 4YZ -0.00176 -0.00269 -0.00031 0.00080 0.00192 99 11 C 1S 0.10572 0.06440 0.01274 0.00727 0.08066 100 2S -0.20540 -0.12806 -0.02553 -0.01530 -0.16378 101 2PX -0.00706 -0.04459 0.01059 -0.00458 -0.02125 102 2PY 0.05184 -0.07807 0.00821 -0.00964 -0.10415 103 2PZ 0.01100 -0.03743 -0.00022 0.00672 0.00047 104 3S -0.15237 -0.07285 -0.02503 -0.00478 -0.12773 105 3PX 0.00249 0.00657 0.00269 0.00316 0.00806 106 3PY 0.00493 -0.02229 0.00068 -0.00246 -0.03749 107 3PZ 0.00882 0.01008 -0.00274 0.00497 0.01708 108 4XX 0.00670 -0.00004 0.00186 -0.00029 0.00146 109 4YY -0.00490 0.00641 -0.00089 0.00069 0.00748 110 4ZZ 0.00601 -0.00096 0.00004 0.00053 0.00057 111 4XY 0.00085 -0.00408 -0.00012 -0.00034 -0.00109 112 4XZ -0.00472 -0.00713 -0.00106 -0.00002 -0.00613 113 4YZ 0.00176 -0.00269 0.00031 0.00080 0.00192 114 12 C 1S 0.00746 0.12444 -0.00049 -0.00481 0.02264 115 2S -0.01417 -0.24080 0.00018 0.01119 -0.04690 116 2PX 0.05829 0.02710 0.01392 -0.00123 0.09492 117 2PY 0.01148 0.00553 -0.00032 -0.00308 0.00526 118 2PZ 0.09022 -0.00674 -0.00712 0.04279 0.13781 119 3S -0.01431 -0.21043 0.00800 0.00039 -0.04358 120 3PX 0.00996 0.00285 -0.00010 -0.00202 0.02376 121 3PY 0.00625 0.00250 -0.00511 0.00312 -0.00098 122 3PZ 0.01542 0.00010 -0.00379 0.01692 0.03504 123 4XX -0.00218 0.00700 -0.00029 -0.00204 -0.00229 124 4YY -0.00061 0.00073 0.00012 0.00009 -0.00081 125 4ZZ 0.00531 0.00138 -0.00010 0.00213 0.00682 126 4XY -0.00503 -0.00333 -0.00124 -0.00048 -0.00396 127 4XZ -0.00164 -0.00666 -0.00099 0.00147 -0.00268 128 4YZ -0.00739 0.00133 0.00059 -0.00148 -0.00523 129 13 C 1S -0.11129 0.06712 0.00650 -0.03433 -0.09318 130 2S 0.21417 -0.13013 -0.01235 0.06895 0.18931 131 2PX 0.00844 0.01551 0.00763 -0.00345 0.01268 132 2PY -0.03642 -0.06529 0.00103 0.03476 0.09507 133 2PZ 0.01722 0.04147 -0.00619 0.00551 0.02003 134 3S 0.18755 -0.10781 -0.01229 0.06572 0.17956 135 3PX 0.00519 0.00524 0.00451 0.00040 0.00931 136 3PY -0.00547 -0.01783 -0.00001 0.00860 0.03889 137 3PZ 0.00638 0.00269 -0.00014 0.00279 0.01637 138 4XX -0.00074 -0.00076 0.00011 0.00151 0.00477 139 4YY 0.00374 0.00741 -0.00015 -0.00368 -0.01016 140 4ZZ -0.00473 -0.00512 0.00047 0.00010 -0.00048 141 4XY 0.00066 0.00119 -0.00021 -0.00017 0.00150 142 4XZ -0.00196 -0.00236 -0.00017 -0.00002 -0.00246 143 4YZ 0.00143 0.00346 0.00009 0.00087 0.00254 144 14 C 1S -0.11132 -0.06709 0.00649 0.03432 0.09318 145 2S 0.21421 0.13006 -0.01233 -0.06894 -0.18931 146 2PX 0.00843 -0.01552 0.00763 0.00344 -0.01270 147 2PY 0.03639 -0.06529 -0.00104 0.03477 0.09508 148 2PZ 0.01721 -0.04148 -0.00619 -0.00549 -0.02001 149 3S 0.18759 0.10775 -0.01226 -0.06571 -0.17955 150 3PX 0.00519 -0.00524 0.00451 -0.00040 -0.00932 151 3PY 0.00546 -0.01783 0.00001 0.00861 0.03889 152 3PZ 0.00638 -0.00270 -0.00014 -0.00279 -0.01635 153 4XX -0.00074 0.00076 0.00011 -0.00151 -0.00477 154 4YY 0.00374 -0.00741 -0.00015 0.00368 0.01016 155 4ZZ -0.00473 0.00513 0.00047 -0.00010 0.00048 156 4XY -0.00066 0.00119 0.00021 -0.00017 0.00150 157 4XZ -0.00196 0.00236 -0.00017 0.00002 0.00246 158 4YZ -0.00143 0.00345 -0.00009 0.00087 0.00255 159 15 C 1S 0.00743 -0.12444 -0.00049 0.00483 -0.02264 160 2S -0.01410 0.24081 0.00018 -0.01122 0.04691 161 2PX 0.05829 -0.02711 0.01393 0.00121 -0.09494 162 2PY -0.01150 0.00554 0.00031 -0.00305 0.00530 163 2PZ 0.09022 0.00671 -0.00711 -0.04278 -0.13780 164 3S -0.01424 0.21043 0.00800 -0.00043 0.04358 165 3PX 0.00996 -0.00285 -0.00010 0.00201 -0.02376 166 3PY -0.00626 0.00250 0.00511 0.00313 -0.00097 167 3PZ 0.01542 -0.00011 -0.00379 -0.01691 -0.03504 168 4XX -0.00218 -0.00700 -0.00029 0.00204 0.00229 169 4YY -0.00061 -0.00073 0.00012 -0.00009 0.00081 170 4ZZ 0.00531 -0.00138 -0.00010 -0.00213 -0.00682 171 4XY 0.00503 -0.00333 0.00124 -0.00048 -0.00396 172 4XZ -0.00163 0.00666 -0.00099 -0.00147 0.00267 173 4YZ 0.00739 0.00133 -0.00059 -0.00148 -0.00523 174 16 H 1S -0.06122 0.03838 -0.01005 0.00876 0.08123 175 2S -0.01269 0.00262 -0.00389 0.00344 0.02734 176 17 H 1S -0.06123 -0.03835 -0.01005 -0.00876 -0.08124 177 2S -0.01269 -0.00261 -0.00389 -0.00344 -0.02734 178 18 H 1S -0.00150 -0.07839 0.00120 0.00005 -0.01615 179 2S -0.00162 -0.01907 0.00015 -0.00331 -0.00473 180 19 H 1S 0.07057 -0.04276 -0.00107 0.03079 0.09334 181 2S 0.01290 -0.00874 -0.00180 0.01475 0.03179 182 20 H 1S 0.07058 0.04274 -0.00106 -0.03078 -0.09334 183 2S 0.01290 0.00873 -0.00180 -0.01474 -0.03179 184 21 H 1S -0.00148 0.07839 0.00120 -0.00008 0.01615 185 2S -0.00161 0.01907 0.00015 0.00330 0.00473 186 22 H 1S 0.06841 -0.04375 -0.00808 0.03306 0.08667 187 2S 0.01612 -0.00724 -0.00285 0.01302 0.03160 188 23 H 1S 0.06843 0.04373 -0.00807 -0.03305 -0.08667 189 2S 0.01613 0.00723 -0.00284 -0.01301 -0.03160 21 22 23 24 25 O O O O O Eigenvalues -- -0.58468 -0.53237 -0.51154 -0.49418 -0.47020 1 1 C 1S 0.00936 -0.01088 -0.00407 0.00035 -0.00589 2 2S -0.02080 0.02184 0.00862 -0.00108 0.01079 3 2PX -0.02354 -0.04637 -0.05096 0.03425 -0.05261 4 2PY -0.04754 -0.19530 -0.06027 0.03874 -0.01150 5 2PZ 0.00370 -0.15381 0.06747 -0.01084 -0.03788 6 3S -0.00963 0.04436 0.01529 -0.00642 0.01816 7 3PX -0.00746 -0.00762 -0.02763 0.01432 -0.01824 8 3PY -0.01394 -0.06105 -0.01984 0.01141 -0.00886 9 3PZ 0.00436 -0.05091 0.03234 -0.00446 -0.00578 10 4XX 0.00152 -0.00174 -0.00691 0.00150 -0.00273 11 4YY -0.00087 0.00133 -0.00001 0.00014 0.00111 12 4ZZ 0.00115 0.00280 0.00727 -0.00239 0.00126 13 4XY -0.00092 -0.00669 -0.00442 0.00440 0.00558 14 4XZ -0.00110 -0.00280 0.00205 0.00093 -0.00325 15 4YZ -0.00074 -0.00165 -0.00111 0.00030 0.00424 16 2 O 1S -0.00787 -0.02952 -0.00277 0.01110 0.00414 17 2S 0.01892 0.06741 0.00642 -0.02494 -0.00879 18 2PX 0.00462 0.05353 -0.16048 0.03338 0.06325 19 2PY -0.02736 -0.19858 -0.08019 0.06939 0.01145 20 2PZ 0.00850 -0.05737 0.12565 -0.03151 0.05853 21 3S 0.02410 0.09922 0.00696 -0.04169 -0.02137 22 3PX 0.00459 0.03584 -0.08928 0.01746 0.03350 23 3PY -0.01586 -0.11636 -0.04814 0.04077 0.00386 24 3PZ 0.00532 -0.02721 0.07606 -0.01900 0.02976 25 4XX 0.00143 0.00629 0.00441 -0.00253 0.00040 26 4YY -0.00199 -0.01676 -0.00726 0.00596 0.00109 27 4ZZ 0.00065 0.00841 0.00325 -0.00174 0.00074 28 4XY 0.00204 0.01180 -0.00815 0.00046 0.00280 29 4XZ 0.00007 0.00512 -0.00055 -0.00080 0.00002 30 4YZ 0.00149 0.00143 0.01119 -0.00382 0.00236 31 3 C 1S -0.00096 -0.01077 -0.00554 -0.00027 0.00000 32 2S 0.00286 0.02344 0.00836 0.00201 0.00001 33 2PX 0.01562 0.22011 -0.14689 0.00046 -0.00004 34 2PY 0.00002 -0.00001 -0.00003 0.00002 -0.07078 35 2PZ 0.00729 0.07973 0.30138 -0.09949 0.00007 36 3S 0.00474 0.04138 0.02727 -0.00855 0.00001 37 3PX 0.00845 0.08451 -0.07300 0.00356 -0.00001 38 3PY 0.00001 0.00000 -0.00001 0.00001 -0.02804 39 3PZ 0.00408 0.01924 0.11941 -0.04302 0.00003 40 4XX -0.00055 -0.00014 -0.00211 0.00084 0.00000 41 4YY 0.00114 -0.00245 -0.00482 0.00048 0.00000 42 4ZZ -0.00100 -0.00010 0.00614 -0.00098 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00227 44 4XZ -0.00164 -0.01453 -0.00686 0.00449 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00290 46 4 C 1S 0.00938 -0.01088 -0.00407 0.00035 0.00588 47 2S -0.02083 0.02184 0.00862 -0.00108 -0.01077 48 2PX -0.02356 -0.04637 -0.05097 0.03423 0.05262 49 2PY 0.04752 0.19533 0.06025 -0.03874 -0.01149 50 2PZ 0.00371 -0.15377 0.06749 -0.01085 0.03788 51 3S -0.00966 0.04435 0.01529 -0.00642 -0.01815 52 3PX -0.00746 -0.00762 -0.02764 0.01432 0.01824 53 3PY 0.01394 0.06106 0.01984 -0.01141 -0.00885 54 3PZ 0.00437 -0.05090 0.03234 -0.00446 0.00578 55 4XX 0.00152 -0.00174 -0.00691 0.00150 0.00273 56 4YY -0.00087 0.00133 -0.00001 0.00014 -0.00111 57 4ZZ 0.00115 0.00280 0.00727 -0.00239 -0.00125 58 4XY 0.00091 0.00669 0.00442 -0.00441 0.00558 59 4XZ -0.00110 -0.00280 0.00205 0.00093 0.00326 60 4YZ 0.00074 0.00165 0.00110 -0.00030 0.00424 61 5 H 1S 0.00034 0.02998 0.17195 -0.04819 0.00005 62 2S -0.00428 0.02516 0.10560 -0.02521 0.00003 63 6 H 1S 0.00690 0.10833 -0.09034 0.00870 -0.00003 64 2S 0.00243 0.06408 -0.05002 0.00280 -0.00002 65 7 O 1S -0.00787 -0.02952 -0.00277 0.01110 -0.00414 66 2S 0.01893 0.06741 0.00642 -0.02494 0.00879 67 2PX 0.00466 0.05353 -0.16047 0.03339 -0.06332 68 2PY 0.02735 0.19859 0.08016 -0.06939 0.01149 69 2PZ 0.00854 -0.05733 0.12567 -0.03150 -0.05849 70 3S 0.02411 0.09922 0.00696 -0.04170 0.02138 71 3PX 0.00461 0.03584 -0.08927 0.01747 -0.03354 72 3PY 0.01586 0.11636 0.04812 -0.04077 0.00388 73 3PZ 0.00535 -0.02719 0.07608 -0.01900 -0.02974 74 4XX 0.00143 0.00629 0.00441 -0.00253 -0.00040 75 4YY -0.00198 -0.01676 -0.00726 0.00596 -0.00110 76 4ZZ 0.00065 0.00841 0.00325 -0.00174 -0.00074 77 4XY -0.00205 -0.01180 0.00815 -0.00047 0.00280 78 4XZ 0.00007 0.00511 -0.00055 -0.00080 -0.00002 79 4YZ -0.00149 -0.00144 -0.01119 0.00382 0.00235 80 8 H 1S 0.00745 0.12876 0.00465 -0.00974 -0.03701 81 2S 0.00579 0.07793 0.00772 -0.00247 -0.02723 82 9 H 1S 0.00747 0.12876 0.00465 -0.00975 0.03702 83 2S 0.00580 0.07793 0.00772 -0.00248 0.02725 84 10 C 1S 0.05700 -0.00370 -0.00459 -0.00524 0.06954 85 2S -0.11519 0.00604 0.00983 0.00986 -0.14349 86 2PX 0.08938 -0.01931 -0.02769 -0.11647 0.06289 87 2PY -0.13463 0.00267 -0.00745 -0.12251 0.08209 88 2PZ 0.08848 -0.03278 -0.05976 -0.14405 0.07087 89 3S -0.10504 0.01671 0.01740 0.01926 -0.15379 90 3PX 0.02722 -0.00291 -0.00620 -0.03703 0.02734 91 3PY -0.02908 -0.00142 -0.00400 -0.03502 0.03357 92 3PZ 0.02888 -0.00949 -0.01936 -0.04669 0.03177 93 4XX 0.00702 -0.00040 0.00076 -0.00090 0.00320 94 4YY -0.00385 0.00038 0.00100 0.00204 0.00904 95 4ZZ 0.00294 -0.00007 -0.00049 0.00341 -0.00280 96 4XY -0.00455 0.00015 0.00021 -0.00210 -0.00786 97 4XZ 0.00046 -0.00055 -0.00003 0.00131 -0.00556 98 4YZ -0.00466 0.00026 0.00027 -0.00046 -0.00926 99 11 C 1S 0.05700 -0.00370 -0.00456 -0.00525 -0.06954 100 2S -0.11520 0.00603 0.00978 0.00987 0.14349 101 2PX 0.08940 -0.01931 -0.02768 -0.11645 -0.06288 102 2PY 0.13460 -0.00267 0.00743 0.12255 0.08214 103 2PZ 0.08850 -0.03279 -0.05975 -0.14404 -0.07086 104 3S -0.10505 0.01671 0.01735 0.01927 0.15380 105 3PX 0.02722 -0.00291 -0.00619 -0.03702 -0.02733 106 3PY 0.02907 0.00142 0.00399 0.03503 0.03359 107 3PZ 0.02889 -0.00949 -0.01935 -0.04668 -0.03176 108 4XX 0.00703 -0.00040 0.00076 -0.00090 -0.00320 109 4YY -0.00385 0.00038 0.00101 0.00204 -0.00904 110 4ZZ 0.00294 -0.00007 -0.00049 0.00341 0.00280 111 4XY 0.00455 -0.00015 -0.00020 0.00210 -0.00786 112 4XZ 0.00046 -0.00055 -0.00003 0.00132 0.00555 113 4YZ 0.00465 -0.00026 -0.00027 0.00046 -0.00926 114 12 C 1S -0.10221 0.01243 0.00591 -0.00758 0.06160 115 2S 0.20674 -0.02605 -0.01125 0.01797 -0.12766 116 2PX 0.00355 0.00929 0.04269 0.01431 -0.07389 117 2PY 0.07521 0.01895 0.04311 0.19958 -0.11921 118 2PZ -0.00523 -0.00864 -0.02145 -0.01119 -0.01967 119 3S 0.19341 -0.02643 -0.01499 0.01836 -0.14638 120 3PX 0.00839 0.00957 0.01713 -0.00485 -0.03068 121 3PY 0.03143 0.00913 0.02111 0.08102 -0.04702 122 3PZ -0.00418 -0.00263 -0.00587 -0.01018 -0.00078 123 4XX -0.00818 0.00096 0.00299 -0.00020 0.00863 124 4YY 0.00404 -0.00063 0.00065 0.00238 -0.01114 125 4ZZ -0.00854 0.00206 0.00006 0.00181 0.00992 126 4XY 0.00041 0.00000 -0.00187 -0.00216 0.00004 127 4XZ -0.00002 -0.00128 0.00078 0.00152 0.00499 128 4YZ -0.00150 -0.00002 0.00103 -0.00081 0.00208 129 13 C 1S 0.04252 -0.00808 0.00682 -0.00557 -0.04544 130 2S -0.08562 0.01802 -0.01495 0.01014 0.09133 131 2PX -0.02395 0.00211 0.09665 0.03188 0.00769 132 2PY 0.07743 -0.00185 0.02339 0.08418 0.03414 133 2PZ -0.10177 0.03755 0.00527 0.10170 0.10454 134 3S -0.08413 0.01121 -0.01994 0.02786 0.12228 135 3PX -0.00902 -0.00468 0.04047 0.01507 0.00724 136 3PY 0.02420 -0.00042 0.00272 0.03835 0.00864 137 3PZ -0.03481 0.01451 -0.00661 0.04013 0.04435 138 4XX -0.00235 0.00083 0.00328 0.00497 0.00641 139 4YY -0.00228 0.00097 -0.00078 0.00096 -0.00755 140 4ZZ 0.00760 -0.00105 -0.00188 -0.00214 -0.00294 141 4XY -0.00165 0.00026 0.00069 -0.00075 0.00126 142 4XZ 0.00378 -0.00097 0.00063 -0.00322 -0.00274 143 4YZ -0.00494 0.00010 -0.00095 -0.00328 0.00987 144 14 C 1S 0.04252 -0.00808 0.00682 -0.00557 0.04544 145 2S -0.08563 0.01802 -0.01495 0.01014 -0.09134 146 2PX -0.02396 0.00211 0.09666 0.03187 -0.00779 147 2PY -0.07741 0.00184 -0.02338 -0.08420 0.03414 148 2PZ -0.10178 0.03755 0.00527 0.10168 -0.10450 149 3S -0.08413 0.01120 -0.01993 0.02787 -0.12230 150 3PX -0.00902 -0.00469 0.04046 0.01506 -0.00729 151 3PY -0.02419 0.00042 -0.00271 -0.03836 0.00864 152 3PZ -0.03482 0.01451 -0.00661 0.04012 -0.04433 153 4XX -0.00235 0.00082 0.00329 0.00497 -0.00641 154 4YY -0.00228 0.00097 -0.00078 0.00095 0.00754 155 4ZZ 0.00760 -0.00105 -0.00189 -0.00213 0.00294 156 4XY 0.00165 -0.00026 -0.00069 0.00075 0.00126 157 4XZ 0.00378 -0.00097 0.00063 -0.00323 0.00274 158 4YZ 0.00494 -0.00010 0.00095 0.00328 0.00987 159 15 C 1S -0.10221 0.01243 0.00593 -0.00757 -0.06160 160 2S 0.20674 -0.02605 -0.01129 0.01797 0.12766 161 2PX 0.00354 0.00928 0.04264 0.01427 0.07384 162 2PY -0.07521 -0.01894 -0.04309 -0.19958 -0.11925 163 2PZ -0.00525 -0.00864 -0.02149 -0.01122 0.01965 164 3S 0.19340 -0.02642 -0.01502 0.01836 0.14637 165 3PX 0.00838 0.00956 0.01711 -0.00486 0.03066 166 3PY -0.03143 -0.00912 -0.02110 -0.08101 -0.04705 167 3PZ -0.00419 -0.00263 -0.00588 -0.01019 0.00077 168 4XX -0.00818 0.00096 0.00300 -0.00020 -0.00863 169 4YY 0.00404 -0.00063 0.00064 0.00238 0.01114 170 4ZZ -0.00854 0.00206 0.00006 0.00181 -0.00992 171 4XY -0.00041 0.00000 0.00187 0.00216 0.00005 172 4XZ -0.00002 -0.00128 0.00078 0.00152 -0.00499 173 4YZ 0.00150 0.00002 -0.00103 0.00081 0.00209 174 16 H 1S -0.06453 0.01841 0.03456 0.12050 -0.13842 175 2S -0.02740 0.01176 0.02239 0.08522 -0.08665 176 17 H 1S -0.06454 0.01841 0.03452 0.12050 0.13843 177 2S -0.02740 0.01176 0.02237 0.08523 0.08666 178 18 H 1S 0.11678 0.00021 0.02013 0.11151 -0.13178 179 2S 0.05092 0.00380 0.01351 0.06812 -0.08343 180 19 H 1S -0.04246 0.01138 0.05537 0.04764 0.06776 181 2S -0.01761 0.01371 0.05148 0.02204 0.03710 182 20 H 1S -0.04246 0.01138 0.05539 0.04761 -0.06777 183 2S -0.01761 0.01371 0.05150 0.02203 -0.03710 184 21 H 1S 0.11678 0.00021 0.02010 0.11150 0.13179 185 2S 0.05092 0.00380 0.01349 0.06812 0.08344 186 22 H 1S -0.04640 0.01879 -0.03240 0.04630 0.08456 187 2S -0.02136 0.00974 -0.01512 0.03114 0.05216 188 23 H 1S -0.04641 0.01879 -0.03239 0.04632 -0.08452 189 2S -0.02136 0.00974 -0.01511 0.03115 -0.05213 26 27 28 29 30 O O O O O Eigenvalues -- -0.44671 -0.44355 -0.44104 -0.40558 -0.39790 1 1 C 1S -0.04334 0.00850 -0.00356 -0.00432 -0.00571 2 2S 0.08672 -0.02298 0.01065 0.00806 0.00806 3 2PX -0.13359 -0.09446 0.13120 -0.02800 0.01139 4 2PY -0.07239 0.02209 -0.00089 0.01149 -0.00266 5 2PZ -0.20086 -0.03042 0.16383 -0.02585 -0.02553 6 3S 0.13910 -0.00863 0.01251 0.01682 0.04801 7 3PX -0.03564 -0.03419 0.04727 -0.00534 0.00373 8 3PY -0.00526 0.00617 -0.00329 -0.00034 0.01917 9 3PZ -0.05305 -0.00397 0.06050 -0.00697 -0.01614 10 4XX -0.01110 0.00028 0.00659 -0.00395 0.00160 11 4YY 0.00182 0.00045 -0.00230 0.00138 -0.00149 12 4ZZ 0.00420 0.00122 -0.00650 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 0.00206 -0.00452 0.00011 0.00320 16 2 O 1S 0.01679 -0.01268 0.02331 -0.00419 -0.00046 17 2S -0.03654 0.02834 -0.05156 0.00895 0.00285 18 2PX 0.20198 0.12873 -0.15375 0.02087 0.04589 19 2PY 0.02964 -0.00070 -0.02246 -0.01390 0.02108 20 2PZ 0.12173 0.05265 -0.18961 0.04673 -0.05294 21 3S -0.08737 0.04956 -0.10459 0.01780 -0.00123 22 3PX 0.10904 0.07171 -0.08060 0.01160 0.03278 23 3PY 0.00785 -0.00893 -0.00850 -0.00961 0.01281 24 3PZ 0.05878 0.02979 -0.10566 0.03041 -0.03687 25 4XX -0.00009 -0.00067 0.00830 -0.00066 -0.00101 26 4YY 0.00227 -0.00028 -0.00208 -0.00071 0.00156 27 4ZZ 0.00539 -0.00301 0.00038 -0.00006 0.00122 28 4XY 0.00859 0.00644 -0.00493 0.00083 0.00145 29 4XZ 0.00199 -0.00354 0.00343 -0.00036 0.00144 30 4YZ 0.00511 0.00045 -0.00949 0.00241 -0.00199 31 3 C 1S 0.00001 0.01987 -0.02040 -0.00014 -0.00001 32 2S -0.00001 -0.04360 0.04006 0.00102 0.00001 33 2PX 0.00006 0.00865 0.29899 -0.03914 -0.00003 34 2PY -0.19148 0.00011 0.00002 0.00001 -0.00993 35 2PZ -0.00013 -0.19840 0.06920 0.01122 0.00001 36 3S -0.00002 -0.05148 0.05403 0.00650 0.00002 37 3PX 0.00002 -0.00575 0.10989 -0.00774 -0.00001 38 3PY -0.08924 0.00005 0.00001 0.00000 0.00178 39 3PZ -0.00006 -0.08661 0.01954 0.01502 0.00001 40 4XX 0.00000 -0.00317 0.02270 -0.00375 0.00000 41 4YY 0.00000 0.01639 -0.02990 0.00468 0.00000 42 4ZZ 0.00000 -0.01230 0.00792 -0.00148 0.00000 43 4XY 0.00391 0.00000 0.00000 0.00000 -0.00212 44 4XZ 0.00000 0.00184 -0.00456 -0.00025 0.00000 45 4YZ 0.00850 0.00000 -0.00001 0.00000 0.00433 46 4 C 1S 0.04335 0.00846 -0.00357 -0.00432 0.00571 47 2S -0.08674 -0.02289 0.01068 0.00808 -0.00806 48 2PX 0.13353 -0.09458 0.13116 -0.02800 -0.01139 49 2PY -0.07245 -0.02201 0.00089 -0.01147 -0.00262 50 2PZ 0.20087 -0.03063 0.16376 -0.02589 0.02551 51 3S -0.13910 -0.00850 0.01256 0.01685 -0.04802 52 3PX 0.03562 -0.03422 0.04726 -0.00534 -0.00372 53 3PY -0.00528 -0.00616 0.00328 0.00033 0.01918 54 3PZ 0.05307 -0.00403 0.06048 -0.00699 0.01614 55 4XX 0.01110 0.00027 0.00659 -0.00396 -0.00160 56 4YY -0.00183 0.00046 -0.00230 0.00138 0.00149 57 4ZZ -0.00420 0.00122 -0.00650 0.00176 0.00185 58 4XY 0.01347 -0.00070 0.00450 -0.00022 -0.00121 59 4XZ 0.00595 -0.00538 0.00273 -0.00138 0.00025 60 4YZ 0.02186 -0.00208 0.00452 -0.00011 0.00320 61 5 H 1S -0.00007 -0.12927 0.03820 0.00245 0.00001 62 2S -0.00004 -0.07777 0.03192 -0.01652 0.00000 63 6 H 1S 0.00004 -0.00168 0.19585 -0.02668 -0.00002 64 2S 0.00003 0.00842 0.14793 -0.02503 -0.00002 65 7 O 1S -0.01680 -0.01267 0.02331 -0.00419 0.00047 66 2S 0.03654 0.02831 -0.05157 0.00895 -0.00287 67 2PX -0.20189 0.12893 -0.15368 0.02091 -0.04591 68 2PY 0.02966 0.00066 0.02249 0.01388 0.02102 69 2PZ -0.12174 0.05274 -0.18957 0.04672 0.05296 70 3S 0.08737 0.04948 -0.10462 0.01779 0.00119 71 3PX -0.10898 0.07182 -0.08056 0.01163 -0.03279 72 3PY 0.00787 0.00891 0.00852 0.00960 0.01277 73 3PZ -0.05879 0.02984 -0.10564 0.03040 0.03688 74 4XX 0.00009 -0.00067 0.00830 -0.00066 0.00101 75 4YY -0.00227 -0.00028 -0.00208 -0.00071 -0.00156 76 4ZZ -0.00539 -0.00300 0.00038 -0.00006 -0.00122 77 4XY 0.00858 -0.00645 0.00492 -0.00083 0.00145 78 4XZ -0.00199 -0.00354 0.00343 -0.00036 -0.00144 79 4YZ 0.00511 -0.00045 0.00949 -0.00241 -0.00199 80 8 H 1S -0.18979 0.01014 -0.08951 0.01444 -0.01385 81 2S -0.14822 0.01124 -0.07275 0.00772 -0.00331 82 9 H 1S 0.18977 0.00996 -0.08957 0.01441 0.01388 83 2S 0.14821 0.01110 -0.07280 0.00770 0.00333 84 10 C 1S -0.01120 0.00124 -0.00257 0.00504 -0.00673 85 2S 0.02096 -0.00226 0.00788 -0.01054 0.01763 86 2PX -0.01419 0.00933 -0.03105 -0.15433 0.12095 87 2PY -0.01095 0.05724 0.03611 0.19644 0.01496 88 2PZ -0.03531 -0.05807 -0.01678 -0.07680 0.16402 89 3S 0.03569 -0.00526 -0.00336 -0.01432 0.02551 90 3PX 0.00017 0.00838 -0.01600 -0.06152 0.01628 91 3PY 0.00469 0.01738 0.01231 0.07222 0.03694 92 3PZ -0.01228 -0.02817 -0.00606 -0.02508 0.03667 93 4XX 0.00010 0.00217 -0.00088 -0.00437 0.00156 94 4YY -0.00214 0.00037 0.00117 0.00309 -0.00776 95 4ZZ -0.00008 -0.00265 0.00010 0.00260 0.00083 96 4XY 0.00198 0.00173 0.00027 0.00083 -0.00671 97 4XZ 0.00022 -0.00064 0.00069 -0.00131 0.00156 98 4YZ 0.00367 0.00011 0.00047 0.00074 -0.01097 99 11 C 1S 0.01120 0.00120 -0.00259 0.00504 0.00674 100 2S -0.02096 -0.00220 0.00791 -0.01054 -0.01764 101 2PX 0.01416 0.00926 -0.03107 -0.15429 -0.12104 102 2PY -0.01103 -0.05719 -0.03608 -0.19641 0.01487 103 2PZ 0.03524 -0.05816 -0.01681 -0.07672 -0.16408 104 3S -0.03569 -0.00516 -0.00333 -0.01434 -0.02553 105 3PX -0.00017 0.00837 -0.01601 -0.06152 -0.01631 106 3PY 0.00466 -0.01737 -0.01230 -0.07223 0.03690 107 3PZ 0.01224 -0.02820 -0.00607 -0.02507 -0.03668 108 4XX -0.00010 0.00217 -0.00089 -0.00437 -0.00157 109 4YY 0.00214 0.00037 0.00117 0.00309 0.00777 110 4ZZ 0.00008 -0.00265 0.00010 0.00260 -0.00083 111 4XY 0.00198 -0.00173 -0.00027 -0.00082 -0.00671 112 4XZ -0.00022 -0.00064 0.00069 -0.00131 -0.00156 113 4YZ 0.00367 -0.00012 -0.00047 -0.00073 -0.01097 114 12 C 1S -0.02374 -0.00058 -0.00395 -0.00060 0.02736 115 2S 0.04993 -0.00101 0.00774 0.00101 -0.06302 116 2PX -0.01203 0.10545 0.03942 0.12509 0.10106 117 2PY 0.02919 -0.01636 0.00076 0.03515 0.25433 118 2PZ 0.02251 0.00100 0.04134 0.23683 -0.03096 119 3S 0.05784 0.01167 0.01690 0.01220 -0.09500 120 3PX -0.00312 0.04404 0.01134 0.03646 0.04769 121 3PY 0.00934 -0.01976 -0.00856 0.00708 0.07515 122 3PZ 0.02116 -0.00503 0.01307 0.08431 -0.01001 123 4XX -0.00268 -0.00004 0.00022 -0.00440 -0.00057 124 4YY 0.00332 0.00143 0.00081 0.00260 0.01169 125 4ZZ -0.00431 -0.00110 -0.00159 0.00350 -0.00279 126 4XY 0.00059 -0.00365 -0.00091 -0.00120 -0.00320 127 4XZ 0.00067 0.00388 0.00245 -0.00455 0.00024 128 4YZ -0.00094 0.00053 -0.00121 -0.00457 -0.00081 129 13 C 1S 0.01410 -0.00518 -0.00044 0.00002 0.00885 130 2S -0.03009 0.01145 0.00052 0.00169 -0.01672 131 2PX -0.01786 0.22940 0.07296 -0.12360 0.12740 132 2PY -0.01118 -0.01030 0.01420 0.14019 0.01426 133 2PZ -0.04258 -0.10548 -0.07152 -0.15616 0.07834 134 3S -0.04059 0.01712 0.00841 0.00240 -0.05379 135 3PX 0.00232 0.10343 0.03543 -0.05639 0.06028 136 3PY -0.00918 0.00082 0.01009 0.06578 0.03114 137 3PZ -0.02057 -0.04030 -0.02589 -0.07064 0.02678 138 4XX -0.00244 0.00088 -0.00017 -0.00463 0.00344 139 4YY 0.00212 0.00102 -0.00008 -0.00205 0.00505 140 4ZZ 0.00061 -0.00332 -0.00083 0.00507 -0.00687 141 4XY -0.00150 0.00302 0.00087 -0.00124 0.00780 142 4XZ 0.00134 0.00828 0.00354 -0.00200 -0.00167 143 4YZ -0.00352 -0.00012 -0.00057 -0.00273 0.00142 144 14 C 1S -0.01410 -0.00514 -0.00043 0.00003 -0.00885 145 2S 0.03010 0.01138 0.00049 0.00168 0.01673 146 2PX 0.01813 0.22935 0.07295 -0.12350 -0.12751 147 2PY -0.01120 0.01038 -0.01417 -0.14017 0.01425 148 2PZ 0.04243 -0.10561 -0.07156 -0.15614 -0.07843 149 3S 0.04061 0.01703 0.00839 0.00238 0.05380 150 3PX -0.00220 0.10342 0.03544 -0.05635 -0.06034 151 3PY -0.00920 -0.00078 -0.01008 -0.06579 0.03113 152 3PZ 0.02051 -0.04036 -0.02592 -0.07065 -0.02682 153 4XX 0.00244 0.00088 -0.00017 -0.00463 -0.00344 154 4YY -0.00212 0.00103 -0.00008 -0.00205 -0.00505 155 4ZZ -0.00061 -0.00332 -0.00083 0.00507 0.00688 156 4XY -0.00150 -0.00302 -0.00087 0.00124 0.00780 157 4XZ -0.00133 0.00827 0.00354 -0.00200 0.00167 158 4YZ -0.00352 0.00013 0.00057 0.00272 0.00142 159 15 C 1S 0.02373 -0.00063 -0.00396 -0.00059 -0.02737 160 2S -0.04993 -0.00091 0.00777 0.00098 0.06302 161 2PX 0.01216 0.10545 0.03942 0.12517 -0.10092 162 2PY 0.02920 0.01627 -0.00079 -0.03534 0.25432 163 2PZ -0.02247 0.00101 0.04133 0.23680 0.03117 164 3S -0.05781 0.01179 0.01694 0.01213 0.09502 165 3PX 0.00317 0.04405 0.01135 0.03650 -0.04765 166 3PY 0.00937 0.01973 0.00855 -0.00715 0.07515 167 3PZ -0.02115 -0.00502 0.01307 0.08430 0.01008 168 4XX 0.00268 -0.00005 0.00022 -0.00440 0.00056 169 4YY -0.00332 0.00144 0.00081 0.00260 -0.01169 170 4ZZ 0.00431 -0.00112 -0.00159 0.00350 0.00279 171 4XY 0.00059 0.00365 0.00091 0.00121 -0.00320 172 4XZ -0.00067 0.00387 0.00245 -0.00454 -0.00024 173 4YZ -0.00094 -0.00052 0.00121 0.00457 -0.00081 174 16 H 1S 0.03402 0.00329 0.00878 0.01611 -0.11250 175 2S 0.02852 0.00143 0.00537 0.01595 -0.10978 176 17 H 1S -0.03400 0.00339 0.00881 0.01603 0.11251 177 2S -0.02851 0.00150 0.00539 0.01587 0.10980 178 18 H 1S 0.03818 -0.00211 0.00457 0.02001 0.13988 179 2S 0.02417 0.00269 0.00595 0.01912 0.14217 180 19 H 1S -0.03164 0.09956 0.02826 -0.06374 0.08251 181 2S -0.02291 0.06368 0.00950 -0.04922 0.07450 182 20 H 1S 0.03175 0.09950 0.02825 -0.06365 -0.08257 183 2S 0.02297 0.06364 0.00949 -0.04914 -0.07455 184 21 H 1S -0.03818 -0.00202 0.00460 0.02008 -0.13986 185 2S -0.02416 0.00274 0.00597 0.01918 -0.14215 186 22 H 1S -0.02585 -0.12769 -0.05405 0.01226 -0.02407 187 2S -0.01210 -0.10023 -0.04367 0.00927 -0.01495 188 23 H 1S 0.02571 -0.12774 -0.05408 0.01220 0.02405 189 2S 0.01198 -0.10026 -0.04368 0.00922 0.01493 31 32 33 34 35 O O O O O Eigenvalues -- -0.38963 -0.38415 -0.37329 -0.35526 -0.34882 1 1 C 1S 0.01689 0.00694 -0.01729 -0.03094 -0.00027 2 2S -0.03769 -0.01690 0.03518 0.07034 0.00351 3 2PX 0.11954 0.02816 -0.05553 0.07431 0.12388 4 2PY -0.23107 -0.11831 -0.00832 0.00353 0.18252 5 2PZ -0.09962 -0.03292 0.08250 0.04469 -0.12769 6 3S -0.05887 -0.02340 0.07144 0.10610 0.00158 7 3PX 0.05941 0.01762 -0.05556 -0.00859 0.08671 8 3PY -0.05968 -0.02882 0.01932 0.05217 0.05865 9 3PZ -0.04602 -0.00577 0.03759 -0.01250 -0.08090 10 4XX 0.01016 0.00358 -0.00612 0.00543 0.00040 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 0.00675 0.00170 0.00604 0.00330 0.00188 14 4XZ 0.00732 0.00269 0.00250 0.00900 -0.00648 15 4YZ 0.00406 0.00261 -0.00412 0.00351 -0.00620 16 2 O 1S 0.03751 0.01425 0.01760 0.03612 -0.01841 17 2S -0.07463 -0.02608 -0.03963 -0.07271 0.03595 18 2PX -0.04361 -0.02397 -0.17541 -0.06751 0.13864 19 2PY 0.20893 0.08341 0.09709 0.41169 -0.10602 20 2PZ -0.11687 -0.03174 0.20956 -0.03325 -0.09790 21 3S -0.17861 -0.07433 -0.06341 -0.13344 0.08451 22 3PX -0.02996 -0.01452 -0.12786 -0.04962 0.09598 23 3PY 0.12845 0.05036 0.06183 0.27482 -0.06919 24 3PZ -0.07702 -0.02160 0.13955 -0.02377 -0.06029 25 4XX -0.00403 -0.00040 0.00513 -0.00060 -0.01004 26 4YY 0.01542 0.00641 0.00348 0.02029 -0.00698 27 4ZZ 0.00532 0.00242 -0.00345 -0.00181 0.00747 28 4XY -0.00010 0.00003 -0.00861 -0.00813 0.00211 29 4XZ 0.00067 0.00041 -0.00243 0.00199 0.00135 30 4YZ -0.00249 0.00081 0.00771 -0.00315 -0.00640 31 3 C 1S -0.03130 -0.01593 0.00001 0.00000 0.02086 32 2S 0.07640 0.03965 -0.00002 0.00000 -0.05254 33 2PX -0.15448 -0.07159 0.00002 -0.00001 -0.06520 34 2PY 0.00000 0.00000 -0.06917 -0.17972 -0.00002 35 2PZ -0.01810 0.00013 -0.00001 -0.00002 0.17944 36 3S 0.08254 0.04564 -0.00002 0.00001 -0.06788 37 3PX -0.06702 -0.03035 0.00001 -0.00001 -0.00660 38 3PY 0.00000 0.00000 -0.02101 -0.00551 0.00000 39 3PZ -0.02679 0.00025 0.00000 0.00000 0.04819 40 4XX -0.00403 -0.00156 0.00000 0.00000 -0.01842 41 4YY -0.01126 -0.00388 0.00000 0.00000 0.00293 42 4ZZ 0.01304 0.00461 0.00000 0.00000 0.01774 43 4XY 0.00000 0.00000 0.01652 0.01811 0.00000 44 4XZ 0.00785 0.00305 0.00000 0.00000 -0.00391 45 4YZ 0.00000 0.00000 -0.00762 0.01714 0.00000 46 4 C 1S 0.01689 0.00694 0.01729 0.03095 -0.00027 47 2S -0.03769 -0.01690 -0.03517 -0.07035 0.00351 48 2PX 0.11956 0.02817 0.05553 -0.07432 0.12388 49 2PY 0.23109 0.11832 -0.00839 0.00356 -0.18250 50 2PZ -0.09960 -0.03291 -0.08251 -0.04468 -0.12772 51 3S -0.05887 -0.02341 -0.07142 -0.10611 0.00159 52 3PX 0.05942 0.01763 0.05557 0.00859 0.08671 53 3PY 0.05969 0.02882 0.01930 0.05217 -0.05864 54 3PZ -0.04602 -0.00577 -0.03759 0.01252 -0.08091 55 4XX 0.01016 0.00359 0.00611 -0.00543 0.00039 56 4YY -0.00909 -0.00439 0.00395 0.01151 0.00543 57 4ZZ 0.00693 0.00473 -0.00790 -0.00274 -0.00897 58 4XY -0.00675 -0.00170 0.00604 0.00330 -0.00188 59 4XZ 0.00732 0.00269 -0.00251 -0.00900 -0.00648 60 4YZ -0.00407 -0.00262 -0.00412 0.00351 0.00620 61 5 H 1S 0.05619 0.02391 -0.00001 0.00000 0.12007 62 2S 0.05455 0.01111 -0.00001 0.00000 0.15195 63 6 H 1S -0.05864 -0.02633 0.00001 0.00000 -0.10328 64 2S -0.06677 -0.02973 0.00001 0.00000 -0.09892 65 7 O 1S 0.03751 0.01425 -0.01760 -0.03612 -0.01841 66 2S -0.07463 -0.02607 0.03965 0.07271 0.03595 67 2PX -0.04357 -0.02394 0.17543 0.06750 0.13861 68 2PY -0.20891 -0.08341 0.09719 0.41167 0.10605 69 2PZ -0.11696 -0.03180 -0.20952 0.03333 -0.09784 70 3S -0.17861 -0.07432 0.06346 0.13344 0.08452 71 3PX -0.02993 -0.01449 0.12787 0.04961 0.09596 72 3PY -0.12844 -0.05036 0.06190 0.27481 0.06921 73 3PZ -0.07708 -0.02164 -0.13952 0.02383 -0.06025 74 4XX -0.00403 -0.00040 -0.00514 0.00060 -0.01004 75 4YY 0.01542 0.00641 -0.00349 -0.02028 -0.00698 76 4ZZ 0.00532 0.00242 0.00345 0.00181 0.00747 77 4XY 0.00010 -0.00003 -0.00861 -0.00813 -0.00210 78 4XZ 0.00067 0.00041 0.00243 -0.00199 0.00135 79 4YZ 0.00249 -0.00081 0.00771 -0.00315 0.00640 80 8 H 1S 0.10333 0.05197 0.00693 -0.00527 -0.04078 81 2S 0.09582 0.05555 0.01354 0.00959 -0.05589 82 9 H 1S 0.10332 0.05196 -0.00696 0.00528 -0.04079 83 2S 0.09582 0.05554 -0.01356 -0.00958 -0.05590 84 10 C 1S -0.00999 0.01764 -0.01083 0.00563 -0.00510 85 2S 0.02442 -0.04016 0.02196 -0.00836 0.01106 86 2PX 0.02175 -0.07891 0.05004 -0.02594 -0.06474 87 2PY 0.11436 -0.19123 0.00066 0.00047 -0.08213 88 2PZ 0.06209 -0.09336 0.01749 -0.01615 0.08544 89 3S 0.01834 -0.06648 0.07766 -0.05452 0.01055 90 3PX 0.00346 -0.03126 0.03148 -0.02535 -0.03996 91 3PY 0.03862 -0.05037 0.01266 -0.00305 -0.03213 92 3PZ 0.02361 -0.02974 0.01975 -0.01900 0.04539 93 4XX -0.00311 0.00315 0.00321 -0.00086 -0.00326 94 4YY 0.00326 -0.00571 -0.00484 0.00224 -0.00106 95 4ZZ -0.00360 0.00916 -0.00062 0.00079 0.00378 96 4XY -0.00093 0.00115 -0.00197 0.00123 -0.00182 97 4XZ -0.00264 0.00609 0.00204 -0.00113 0.00290 98 4YZ -0.00076 0.00278 0.00017 0.00078 0.00156 99 11 C 1S -0.00999 0.01764 0.01083 -0.00563 -0.00511 100 2S 0.02442 -0.04016 -0.02195 0.00836 0.01106 101 2PX 0.02173 -0.07886 -0.05002 0.02593 -0.06475 102 2PY -0.11437 0.19125 0.00073 0.00043 0.08213 103 2PZ 0.06210 -0.09331 -0.01744 0.01613 0.08544 104 3S 0.01835 -0.06651 -0.07764 0.05452 0.01058 105 3PX 0.00345 -0.03126 -0.03147 0.02535 -0.03995 106 3PY -0.03865 0.05037 0.01269 -0.00307 0.03212 107 3PZ 0.02361 -0.02974 -0.01972 0.01899 0.04541 108 4XX -0.00311 0.00315 -0.00321 0.00086 -0.00326 109 4YY 0.00326 -0.00571 0.00484 -0.00224 -0.00106 110 4ZZ -0.00360 0.00915 0.00062 -0.00079 0.00378 111 4XY 0.00093 -0.00115 -0.00197 0.00123 0.00182 112 4XZ -0.00264 0.00609 -0.00204 0.00113 0.00290 113 4YZ 0.00077 -0.00278 0.00017 0.00078 -0.00156 114 12 C 1S -0.00339 -0.00256 0.00623 -0.00443 -0.00778 115 2S 0.00582 0.00655 -0.01854 0.01276 0.01954 116 2PX -0.00252 0.01299 -0.05238 0.01323 -0.09596 117 2PY 0.01289 -0.05040 0.13676 -0.05872 -0.02132 118 2PZ 0.01551 0.03912 0.03081 -0.01262 0.06736 119 3S 0.01606 0.01083 0.01221 -0.01656 0.01464 120 3PX -0.00160 -0.01053 -0.05380 0.02956 -0.05666 121 3PY 0.00481 -0.00966 0.01683 -0.00962 -0.00985 122 3PZ 0.00693 -0.01470 0.01455 -0.00025 0.04227 123 4XX -0.00094 0.00035 -0.00514 0.00165 0.00137 124 4YY 0.00196 -0.00346 0.00662 -0.00265 -0.00410 125 4ZZ -0.00151 0.00076 -0.00026 -0.00010 -0.00218 126 4XY 0.00435 -0.00588 0.00128 -0.00025 0.00135 127 4XZ 0.00133 0.00137 -0.00401 0.00235 0.00624 128 4YZ 0.00223 -0.01022 -0.00122 0.00048 -0.00250 129 13 C 1S 0.00305 -0.02069 0.00249 -0.00130 -0.00272 130 2S -0.00755 0.04516 0.00035 0.00386 0.00792 131 2PX 0.08121 -0.04531 -0.15595 0.08163 0.08065 132 2PY 0.07395 -0.21889 0.01050 -0.00259 0.04210 133 2PZ 0.00720 -0.16430 0.09247 -0.04277 -0.06566 134 3S -0.00370 0.08486 -0.04622 -0.00035 -0.00103 135 3PX 0.03274 -0.01867 -0.06141 0.02250 0.03264 136 3PY 0.03468 -0.09032 0.04182 -0.01347 0.01866 137 3PZ 0.01608 -0.08315 0.06037 -0.02689 -0.02498 138 4XX 0.00435 -0.01049 -0.00122 0.00088 0.00329 139 4YY -0.00171 0.00682 0.00236 -0.00078 -0.00059 140 4ZZ -0.00110 -0.00219 0.00012 -0.00014 -0.00285 141 4XY 0.00073 -0.00053 -0.01121 0.00586 0.00004 142 4XZ 0.00447 0.00227 -0.00668 0.00433 0.00978 143 4YZ -0.00023 -0.00022 0.00379 -0.00186 -0.00002 144 14 C 1S 0.00306 -0.02068 -0.00248 0.00130 -0.00272 145 2S -0.00755 0.04515 -0.00037 -0.00386 0.00793 146 2PX 0.08124 -0.04524 0.15595 -0.08163 0.08059 147 2PY -0.07395 0.21893 0.01042 -0.00254 -0.04208 148 2PZ 0.00718 -0.16427 -0.09245 0.04277 -0.06563 149 3S -0.00372 0.08487 0.04619 0.00037 -0.00102 150 3PX 0.03277 -0.01865 0.06139 -0.02249 0.03262 151 3PY -0.03468 0.09034 0.04179 -0.01345 -0.01866 152 3PZ 0.01609 -0.08314 -0.06035 0.02688 -0.02493 153 4XX 0.00435 -0.01048 0.00123 -0.00089 0.00330 154 4YY -0.00171 0.00682 -0.00236 0.00079 -0.00059 155 4ZZ -0.00110 -0.00220 -0.00012 0.00015 -0.00286 156 4XY -0.00073 0.00052 -0.01121 0.00586 -0.00004 157 4XZ 0.00447 0.00227 0.00667 -0.00433 0.00977 158 4YZ 0.00023 0.00023 0.00379 -0.00186 0.00002 159 15 C 1S -0.00338 -0.00256 -0.00622 0.00442 -0.00778 160 2S 0.00581 0.00655 0.01853 -0.01276 0.01953 161 2PX -0.00249 0.01303 0.05233 -0.01321 -0.09596 162 2PY -0.01291 0.05038 0.13677 -0.05873 0.02133 163 2PZ 0.01548 0.03913 -0.03082 0.01262 0.06733 164 3S 0.01607 0.01080 -0.01224 0.01657 0.01466 165 3PX -0.00157 -0.01050 0.05377 -0.02955 -0.05667 166 3PY -0.00480 0.00966 0.01682 -0.00962 0.00987 167 3PZ 0.00694 -0.01470 -0.01456 0.00026 0.04226 168 4XX -0.00094 0.00035 0.00515 -0.00165 0.00137 169 4YY 0.00197 -0.00347 -0.00663 0.00265 -0.00410 170 4ZZ -0.00151 0.00077 0.00026 0.00010 -0.00218 171 4XY -0.00435 0.00588 0.00128 -0.00025 -0.00135 172 4XZ 0.00133 0.00138 0.00402 -0.00235 0.00624 173 4YZ -0.00222 0.01022 -0.00123 0.00048 0.00250 174 16 H 1S -0.06113 0.11469 -0.01200 0.01065 0.01680 175 2S -0.05780 0.11960 -0.00973 0.00875 0.01665 176 17 H 1S -0.06115 0.11467 0.01200 -0.01066 0.01681 177 2S -0.05781 0.11958 0.00973 -0.00875 0.01667 178 18 H 1S 0.01387 -0.03208 0.07863 -0.03236 -0.02009 179 2S 0.01011 -0.03590 0.08717 -0.02907 -0.02221 180 19 H 1S 0.06089 -0.08555 -0.08469 0.04661 0.05426 181 2S 0.04165 -0.08611 -0.09763 0.06870 0.05670 182 20 H 1S 0.06090 -0.08547 0.08476 -0.04664 0.05425 183 2S 0.04165 -0.08604 0.09770 -0.06874 0.05667 184 21 H 1S 0.01388 -0.03208 -0.07865 0.03237 -0.02009 185 2S 0.01013 -0.03590 -0.08719 0.02909 -0.02220 186 22 H 1S -0.02004 -0.07969 0.11101 -0.05666 -0.05825 187 2S -0.02532 -0.07531 0.09569 -0.05378 -0.06185 188 23 H 1S -0.02004 -0.07977 -0.11097 0.05664 -0.05819 189 2S -0.02532 -0.07538 -0.09566 0.05376 -0.06180 36 37 38 39 40 O O O O O Eigenvalues -- -0.32858 -0.31942 -0.31708 -0.28626 -0.19801 1 1 C 1S -0.00394 0.00531 -0.00346 -0.01309 -0.00047 2 2S 0.01437 -0.00844 0.00540 0.03296 0.00362 3 2PX -0.06828 0.04149 -0.04075 -0.03638 0.07519 4 2PY -0.02132 0.01536 -0.07047 -0.02276 -0.01356 5 2PZ 0.03287 -0.00483 0.01753 -0.00901 -0.10129 6 3S -0.03894 -0.03291 0.01008 0.03755 0.00183 7 3PX -0.06158 0.01580 -0.02908 -0.01481 0.08045 8 3PY -0.04199 0.00391 -0.02062 -0.01828 0.01799 9 3PZ 0.00484 -0.02485 0.01762 0.00808 -0.07054 10 4XX -0.01180 0.00671 -0.00324 -0.01368 -0.00966 11 4YY 0.00250 -0.00149 -0.00236 0.00225 0.00210 12 4ZZ 0.00724 -0.00410 0.00537 0.00947 0.00514 13 4XY 0.00318 -0.00175 -0.00108 0.00084 -0.00517 14 4XZ 0.00162 0.00018 0.00258 0.00409 0.00504 15 4YZ -0.00352 0.00072 0.00251 0.00145 0.00742 16 2 O 1S -0.00440 0.00153 0.00621 0.00387 0.00233 17 2S 0.00431 -0.00464 -0.01234 -0.00699 -0.00184 18 2PX -0.17415 0.06322 -0.06117 -0.10719 -0.07170 19 2PY -0.09840 0.05458 0.03244 0.00040 -0.00157 20 2PZ 0.24696 -0.11972 0.06063 0.16846 0.07444 21 3S 0.03610 0.00556 -0.02749 -0.02268 -0.02606 22 3PX -0.13312 0.04308 -0.04362 -0.07747 -0.06041 23 3PY -0.06162 0.03947 0.02183 -0.00023 -0.00652 24 3PZ 0.16746 -0.08423 0.04206 0.12559 0.06599 25 4XX 0.00451 -0.00313 0.00401 0.00662 -0.00115 26 4YY -0.00626 0.00197 0.00166 0.00057 0.00071 27 4ZZ -0.00321 0.00022 -0.00221 -0.00374 0.00435 28 4XY -0.00615 0.00148 -0.00085 -0.00285 -0.00244 29 4XZ -0.00110 0.00036 -0.00081 -0.00131 0.00043 30 4YZ 0.01005 -0.00528 0.00312 0.00633 0.00287 31 3 C 1S 0.00000 0.00000 -0.00483 -0.00071 0.00000 32 2S 0.00000 0.00001 0.01383 0.00372 0.00001 33 2PX 0.00000 0.00002 0.03289 0.07150 -0.00005 34 2PY 0.01507 0.00163 0.00000 0.00001 -0.00730 35 2PZ 0.00000 -0.00006 -0.08194 -0.11324 0.00002 36 3S 0.00000 0.00001 0.01435 0.00063 0.00002 37 3PX 0.00000 0.00000 0.00510 0.00276 -0.00001 38 3PY -0.01075 0.00629 0.00000 0.00000 -0.01242 39 3PZ 0.00001 -0.00002 -0.02067 -0.01324 -0.00004 40 4XX 0.00000 0.00001 0.00861 0.01578 -0.00001 41 4YY 0.00000 0.00000 0.00007 0.00385 0.00000 42 4ZZ 0.00000 0.00000 -0.00936 -0.02004 0.00001 43 4XY 0.00912 -0.00346 0.00000 0.00000 0.00582 44 4XZ 0.00000 0.00000 0.00054 -0.00058 0.00000 45 4YZ -0.01719 0.00728 0.00000 0.00000 -0.00599 46 4 C 1S 0.00393 -0.00532 -0.00345 -0.01309 0.00046 47 2S -0.01437 0.00844 0.00539 0.03296 -0.00360 48 2PX 0.06826 -0.04154 -0.04072 -0.03638 -0.07544 49 2PY -0.02131 0.01545 0.07045 0.02276 -0.01348 50 2PZ -0.03286 0.00484 0.01754 -0.00900 0.10148 51 3S 0.03894 0.03292 0.01008 0.03756 -0.00171 52 3PX 0.06157 -0.01583 -0.02907 -0.01483 -0.08060 53 3PY -0.04199 0.00393 0.02060 0.01828 0.01806 54 3PZ -0.00484 0.02487 0.01761 0.00809 0.07069 55 4XX 0.01180 -0.00671 -0.00323 -0.01368 0.00968 56 4YY -0.00250 0.00149 -0.00236 0.00225 -0.00211 57 4ZZ -0.00724 0.00411 0.00537 0.00947 -0.00515 58 4XY 0.00318 -0.00175 0.00108 -0.00084 -0.00516 59 4XZ -0.00161 -0.00017 0.00258 0.00409 -0.00505 60 4YZ -0.00352 0.00072 -0.00251 -0.00145 0.00740 61 5 H 1S 0.00000 -0.00004 -0.05915 -0.10844 0.00006 62 2S -0.00001 -0.00005 -0.07280 -0.14171 0.00011 63 6 H 1S 0.00000 0.00003 0.04716 0.08539 -0.00006 64 2S 0.00000 0.00003 0.05042 0.11070 -0.00010 65 7 O 1S 0.00440 -0.00152 0.00622 0.00387 -0.00232 66 2S -0.00431 0.00462 -0.01234 -0.00699 0.00183 67 2PX 0.17413 -0.06329 -0.06111 -0.10721 0.07195 68 2PY -0.09835 0.05451 -0.03249 -0.00043 -0.00159 69 2PZ -0.24695 0.11980 0.06052 0.16849 -0.07474 70 3S -0.03609 -0.00561 -0.02748 -0.02268 0.02597 71 3PX 0.13311 -0.04313 -0.04358 -0.07749 0.06062 72 3PY -0.06158 0.03942 -0.02186 0.00021 -0.00652 73 3PZ -0.16746 0.08429 0.04199 0.12561 -0.06623 74 4XX -0.00450 0.00313 0.00401 0.00662 0.00115 75 4YY 0.00626 -0.00197 0.00166 0.00057 -0.00071 76 4ZZ 0.00321 -0.00022 -0.00221 -0.00374 -0.00434 77 4XY -0.00615 0.00148 0.00085 0.00285 -0.00245 78 4XZ 0.00109 -0.00037 -0.00081 -0.00131 -0.00043 79 4YZ 0.01005 -0.00528 -0.00311 -0.00633 0.00288 80 8 H 1S -0.01308 0.01730 0.03246 0.04364 -0.06509 81 2S -0.00240 0.01917 0.03077 0.03396 -0.07002 82 9 H 1S 0.01308 -0.01726 0.03247 0.04364 0.06507 83 2S 0.00241 -0.01912 0.03077 0.03395 0.06996 84 10 C 1S 0.00476 -0.00272 0.00196 -0.01120 -0.00590 85 2S -0.00545 0.01588 -0.00792 0.02347 0.01965 86 2PX 0.04989 0.14857 -0.00097 -0.19344 -0.11975 87 2PY -0.00447 -0.01679 -0.21060 0.00891 -0.02878 88 2PZ 0.05529 0.12128 0.02494 0.20518 0.15121 89 3S -0.04963 -0.07020 0.00326 0.05550 -0.04889 90 3PX 0.00353 0.02662 0.00315 -0.12751 -0.12091 91 3PY -0.02035 -0.04059 -0.07790 -0.00527 -0.07359 92 3PZ 0.00506 0.00322 0.02231 0.13575 0.09147 93 4XX -0.00023 0.00152 0.00351 -0.00666 -0.01018 94 4YY 0.00207 0.00040 -0.00856 0.00363 0.00345 95 4ZZ -0.00243 -0.00732 0.00764 0.00066 0.00536 96 4XY -0.00501 -0.01190 0.00293 -0.00789 0.00667 97 4XZ -0.00311 -0.00451 0.00650 -0.00105 -0.00071 98 4YZ -0.00530 -0.00992 0.00311 0.00356 -0.01174 99 11 C 1S -0.00476 0.00273 0.00196 -0.01120 0.00590 100 2S 0.00545 -0.01589 -0.00790 0.02347 -0.01967 101 2PX -0.04993 -0.14856 -0.00079 -0.19343 0.11957 102 2PY -0.00449 -0.01654 0.21061 -0.00890 -0.02875 103 2PZ -0.05529 -0.12126 0.02507 0.20518 -0.15109 104 3S 0.04962 0.07021 0.00322 0.05553 0.04886 105 3PX -0.00355 -0.02662 0.00320 -0.12749 0.12075 106 3PY -0.02037 -0.04051 0.07794 0.00527 -0.07359 107 3PZ -0.00507 -0.00321 0.02233 0.13575 -0.09139 108 4XX 0.00022 -0.00152 0.00351 -0.00665 0.01019 109 4YY -0.00207 -0.00041 -0.00856 0.00362 -0.00345 110 4ZZ 0.00243 0.00732 0.00764 0.00066 -0.00537 111 4XY -0.00501 -0.01190 -0.00292 0.00789 0.00667 112 4XZ 0.00311 0.00451 0.00649 -0.00104 0.00071 113 4YZ -0.00530 -0.00993 -0.00311 -0.00356 -0.01174 114 12 C 1S -0.01043 0.00118 -0.00072 0.01248 -0.01316 115 2S 0.02696 0.00313 0.00765 -0.02322 0.02808 116 2PX 0.08862 0.10022 -0.06202 -0.12501 0.25643 117 2PY -0.05356 -0.02359 -0.18181 0.07743 -0.08082 118 2PZ 0.10175 0.23178 0.05568 0.04045 -0.16000 119 3S 0.02197 -0.05079 -0.02049 -0.06292 0.04144 120 3PX 0.04269 0.04286 -0.02755 -0.07268 0.19394 121 3PY -0.01134 0.02968 -0.04898 0.05954 -0.02274 122 3PZ 0.03863 0.09630 0.02298 0.03569 -0.14706 123 4XX -0.00065 -0.00141 0.00777 0.01108 -0.00722 124 4YY -0.00225 -0.00268 -0.02072 0.00379 -0.00184 125 4ZZ 0.00156 0.00579 0.00930 -0.01078 0.00812 126 4XY -0.00278 -0.00455 -0.00177 0.00378 -0.00203 127 4XZ 0.00614 -0.00381 0.00470 -0.00194 -0.00293 128 4YZ -0.00327 -0.00689 0.00267 -0.00447 0.00138 129 13 C 1S -0.01000 -0.00302 0.00649 0.00204 -0.00751 130 2S 0.02398 0.00983 -0.01911 -0.00732 0.00931 131 2PX 0.14175 -0.16972 0.00768 0.05503 -0.07888 132 2PY 0.01368 0.01054 0.27372 -0.09271 -0.01319 133 2PZ -0.17318 -0.18132 -0.03429 0.01722 0.03516 134 3S 0.05249 0.02785 -0.00793 -0.01555 0.09904 135 3PX 0.07491 -0.08644 0.00326 0.01733 -0.04011 136 3PY 0.01211 -0.00208 0.13290 -0.06111 -0.01253 137 3PZ -0.06069 -0.11416 -0.03278 -0.01015 0.01889 138 4XX -0.00131 -0.00940 0.00761 0.00246 -0.00619 139 4YY -0.00038 0.00083 -0.01219 0.00278 -0.00399 140 4ZZ -0.00065 0.00559 0.00678 -0.00717 0.00915 141 4XY 0.00981 -0.01125 0.00068 -0.00033 -0.00312 142 4XZ 0.00982 -0.00252 0.00308 0.00570 -0.01276 143 4YZ -0.01006 -0.01132 0.00382 -0.00204 0.00325 144 14 C 1S 0.00999 0.00302 0.00649 0.00204 0.00753 145 2S -0.02397 -0.00985 -0.01910 -0.00731 -0.00935 146 2PX -0.14176 0.16976 0.00742 0.05504 0.07889 147 2PY 0.01372 0.01021 -0.27372 0.09271 -0.01323 148 2PZ 0.17318 0.18128 -0.03449 0.01722 -0.03512 149 3S -0.05250 -0.02785 -0.00791 -0.01557 -0.09910 150 3PX -0.07492 0.08648 0.00314 0.01734 0.04012 151 3PY 0.01214 -0.00224 -0.13289 0.06110 -0.01255 152 3PZ 0.06069 0.11412 -0.03290 -0.01011 -0.01886 153 4XX 0.00129 0.00941 0.00760 0.00247 0.00621 154 4YY 0.00039 -0.00084 -0.01218 0.00278 0.00398 155 4ZZ 0.00066 -0.00559 0.00679 -0.00717 -0.00915 156 4XY 0.00981 -0.01125 -0.00066 0.00033 -0.00312 157 4XZ -0.00982 0.00251 0.00308 0.00570 0.01275 158 4YZ -0.01006 -0.01132 -0.00382 0.00204 0.00325 159 15 C 1S 0.01043 -0.00118 -0.00072 0.01248 0.01316 160 2S -0.02695 -0.00313 0.00765 -0.02321 -0.02810 161 2PX -0.08863 -0.10030 -0.06192 -0.12503 -0.25640 162 2PY -0.05356 -0.02336 0.18182 -0.07743 -0.08080 163 2PZ -0.10171 -0.23175 0.05594 0.04047 0.15997 164 3S -0.02194 0.05075 -0.02050 -0.06287 -0.04139 165 3PX -0.04269 -0.04289 -0.02753 -0.07270 -0.19393 166 3PY -0.01133 0.02975 0.04896 -0.05952 -0.02269 167 3PZ -0.03861 -0.09628 0.02308 0.03571 0.14702 168 4XX 0.00064 0.00142 0.00777 0.01107 0.00724 169 4YY 0.00226 0.00267 -0.02073 0.00379 0.00184 170 4ZZ -0.00156 -0.00578 0.00930 -0.01078 -0.00813 171 4XY -0.00278 -0.00455 0.00177 -0.00378 -0.00203 172 4XZ -0.00614 0.00381 0.00469 -0.00194 0.00293 173 4YZ -0.00326 -0.00689 -0.00267 0.00447 0.00138 174 16 H 1S -0.05628 -0.12068 0.06934 -0.02891 -0.02584 175 2S -0.06642 -0.15108 0.08118 -0.03231 -0.05061 176 17 H 1S 0.05628 0.12075 0.06924 -0.02891 0.02584 177 2S 0.06642 0.15116 0.08105 -0.03231 0.05062 178 18 H 1S -0.02691 -0.02568 -0.15224 0.03721 -0.02189 179 2S -0.04163 -0.03579 -0.16878 0.04308 -0.05195 180 19 H 1S 0.06147 -0.13917 0.06462 0.01832 -0.06720 181 2S 0.01781 -0.12493 0.06750 0.04701 -0.11832 182 20 H 1S -0.06154 0.13922 0.06442 0.01833 0.06723 183 2S -0.01786 0.12497 0.06730 0.04702 0.11835 184 21 H 1S 0.02694 0.02554 -0.15225 0.03722 0.02188 185 2S 0.04166 0.03563 -0.16880 0.04309 0.05192 186 22 H 1S -0.14062 -0.00333 0.03757 -0.04875 0.08658 187 2S -0.14962 0.00234 0.04290 -0.04231 0.10184 188 23 H 1S 0.14061 0.00342 0.03765 -0.04876 -0.08655 189 2S 0.14961 -0.00224 0.04298 -0.04234 -0.10177 41 42 43 44 45 O V V V V Eigenvalues -- -0.18560 -0.00699 0.01019 0.08379 0.11232 1 1 C 1S 0.01561 0.01169 0.05212 0.01389 -0.00961 2 2S -0.02636 -0.03790 -0.11163 -0.04163 0.00100 3 2PX 0.22005 0.15883 0.23721 0.01564 -0.06763 4 2PY 0.08634 0.03389 0.07430 0.03085 -0.05608 5 2PZ -0.17715 -0.09921 -0.20971 0.03482 -0.11981 6 3S -0.11583 0.00269 -0.27487 -0.14090 0.29373 7 3PX 0.14341 0.20324 0.31496 0.07921 -0.14871 8 3PY 0.07614 0.00790 0.23624 0.04993 -0.12635 9 3PZ -0.13610 -0.08008 -0.11702 0.10460 -0.27845 10 4XX -0.00839 0.00552 0.00421 0.00188 0.00358 11 4YY 0.00092 -0.00096 0.00407 -0.00079 -0.00558 12 4ZZ 0.01024 0.00183 0.00641 0.00347 -0.00129 13 4XY 0.01161 0.01368 -0.01145 0.00154 -0.00287 14 4XZ 0.00281 -0.01141 0.00576 -0.00155 0.00413 15 4YZ -0.01257 -0.01066 0.00816 0.00258 -0.01277 16 2 O 1S -0.00598 0.00573 -0.01756 0.01154 -0.00907 17 2S 0.00548 -0.00821 0.04328 -0.03192 0.00991 18 2PX -0.18585 -0.01622 -0.12506 0.01592 -0.06026 19 2PY -0.02667 -0.01482 0.01591 -0.01248 0.02723 20 2PZ 0.21714 0.08078 0.08192 0.00359 -0.00485 21 3S 0.06521 -0.07374 0.11196 -0.11291 0.12138 22 3PX -0.15622 -0.00527 -0.10862 0.03683 -0.07011 23 3PY -0.01190 -0.02619 0.00820 -0.07040 0.05138 24 3PZ 0.17797 0.09795 0.09522 0.04664 0.02233 25 4XX -0.00410 -0.00188 -0.01483 -0.00271 -0.00460 26 4YY -0.00348 0.00090 0.00163 -0.00299 -0.00382 27 4ZZ -0.00103 0.00593 0.00724 -0.00047 -0.00323 28 4XY -0.00705 0.00053 -0.00326 0.00059 0.00354 29 4XZ 0.00027 -0.00120 -0.00156 -0.01156 -0.00506 30 4YZ 0.00294 -0.00122 0.00246 -0.00326 -0.00296 31 3 C 1S 0.00839 -0.00001 0.00000 0.05871 0.04879 32 2S -0.02049 -0.00328 0.00000 -0.10857 -0.07177 33 2PX 0.07239 0.00106 0.00000 -0.05294 -0.05268 34 2PY 0.00000 0.00003 0.06577 0.00003 -0.00003 35 2PZ -0.02596 0.02195 -0.00001 -0.19215 -0.16881 36 3S -0.04373 0.02257 -0.00002 -0.80835 -0.80860 37 3PX 0.01174 0.01859 -0.00001 -0.17741 -0.14500 38 3PY -0.00001 0.00007 0.11935 0.00009 -0.00008 39 3PZ 0.05639 0.04090 -0.00002 -0.48221 -0.43517 40 4XX 0.01838 0.00011 0.00000 0.01076 0.00338 41 4YY 0.00230 0.00338 0.00000 0.00118 -0.00217 42 4ZZ -0.01983 -0.00331 0.00000 0.00491 0.00638 43 4XY 0.00000 0.00001 0.01363 0.00000 0.00000 44 4XZ 0.00046 0.00052 0.00000 -0.00823 -0.00557 45 4YZ 0.00000 0.00000 -0.00627 0.00000 0.00000 46 4 C 1S 0.01561 0.01163 -0.05213 0.01390 -0.00959 47 2S -0.02637 -0.03777 0.11168 -0.04165 0.00095 48 2PX 0.21995 0.15853 -0.23741 0.01569 -0.06758 49 2PY -0.08632 -0.03378 0.07431 -0.03086 0.05607 50 2PZ -0.17704 -0.09895 0.20983 0.03479 -0.11988 51 3S -0.11585 0.00296 0.27490 -0.14095 0.29366 52 3PX 0.14331 0.20287 -0.31523 0.07931 -0.14859 53 3PY -0.07610 -0.00763 0.23624 -0.04996 0.12631 54 3PZ -0.13602 -0.07995 0.11713 0.10463 -0.27850 55 4XX -0.00837 0.00551 -0.00422 0.00188 0.00358 56 4YY 0.00091 -0.00097 -0.00407 -0.00079 -0.00558 57 4ZZ 0.01024 0.00183 -0.00641 0.00347 -0.00128 58 4XY -0.01162 -0.01369 -0.01143 -0.00153 0.00287 59 4XZ 0.00280 -0.01142 -0.00574 -0.00155 0.00413 60 4YZ 0.01258 0.01067 0.00815 -0.00259 0.01277 61 5 H 1S -0.08858 -0.01615 0.00001 0.02914 0.04105 62 2S -0.16276 -0.08593 0.00006 0.84938 0.84398 63 6 H 1S 0.09038 0.00386 0.00000 0.03349 0.02901 64 2S 0.14833 0.00357 0.00000 0.46146 0.42987 65 7 O 1S -0.00599 0.00575 0.01755 0.01155 -0.00909 66 2S 0.00548 -0.00827 -0.04327 -0.03193 0.00994 67 2PX -0.18577 -0.01605 0.12508 0.01590 -0.06027 68 2PY 0.02662 0.01482 0.01590 0.01248 -0.02725 69 2PZ 0.21705 0.08066 -0.08201 0.00359 -0.00481 70 3S 0.06526 -0.07384 -0.11186 -0.11297 0.12158 71 3PX -0.15616 -0.00513 0.10862 0.03680 -0.07010 72 3PY 0.01185 0.02618 0.00818 0.07041 -0.05143 73 3PZ 0.17789 0.09782 -0.09533 0.04667 0.02240 74 4XX -0.00410 -0.00186 0.01483 -0.00271 -0.00461 75 4YY -0.00348 0.00090 -0.00163 -0.00300 -0.00383 76 4ZZ -0.00104 0.00592 -0.00725 -0.00047 -0.00323 77 4XY 0.00705 -0.00053 -0.00326 -0.00059 -0.00353 78 4XZ 0.00027 -0.00120 0.00156 -0.01156 -0.00506 79 4YZ -0.00293 0.00122 0.00246 0.00326 0.00296 80 8 H 1S 0.00981 -0.02419 -0.06322 0.00918 -0.03358 81 2S 0.04013 -0.06005 -0.35370 0.28073 -0.60415 82 9 H 1S 0.00988 -0.02410 0.06325 0.00918 -0.03361 83 2S 0.04021 -0.05963 0.35374 0.28064 -0.60426 84 10 C 1S -0.00195 0.00460 0.00662 0.02285 -0.02043 85 2S 0.00986 -0.00466 -0.01375 -0.05096 0.02312 86 2PX 0.15339 -0.12032 0.20348 0.03997 -0.07618 87 2PY 0.02327 -0.03531 0.00586 0.03602 -0.05709 88 2PZ -0.11245 0.10306 -0.15785 0.02654 -0.09758 89 3S 0.02455 -0.03350 0.00392 -0.24367 0.42050 90 3PX 0.12899 -0.17256 0.30039 0.08835 -0.15503 91 3PY 0.00705 -0.02143 0.06006 0.06202 -0.11728 92 3PZ -0.08398 0.14984 -0.17062 0.09418 -0.19305 93 4XX -0.00253 0.01610 0.00009 -0.00056 0.00122 94 4YY 0.00188 -0.00378 0.00175 -0.00387 -0.00097 95 4ZZ 0.00269 -0.00941 0.00077 0.00528 -0.00295 96 4XY 0.00497 -0.00830 -0.01074 0.00493 -0.00732 97 4XZ 0.00085 0.00539 0.00099 0.00230 -0.00122 98 4YZ -0.00559 0.01375 0.00903 0.00596 -0.00807 99 11 C 1S -0.00195 0.00460 -0.00663 0.02285 -0.02044 100 2S 0.00984 -0.00464 0.01376 -0.05095 0.02313 101 2PX 0.15355 -0.12053 -0.20335 0.03991 -0.07623 102 2PY -0.02331 0.03532 0.00584 -0.03603 0.05712 103 2PZ -0.11263 0.10322 0.15773 0.02659 -0.09752 104 3S 0.02464 -0.03353 -0.00387 -0.24358 0.42066 105 3PX 0.12917 -0.17287 -0.30019 0.08827 -0.15509 106 3PY -0.00715 0.02152 0.06006 -0.06203 0.11730 107 3PZ -0.08409 0.15000 0.17043 0.09429 -0.19295 108 4XX -0.00252 0.01610 -0.00012 -0.00056 0.00123 109 4YY 0.00188 -0.00378 -0.00175 -0.00387 -0.00098 110 4ZZ 0.00268 -0.00941 -0.00075 0.00528 -0.00295 111 4XY -0.00496 0.00829 -0.01075 -0.00494 0.00731 112 4XZ 0.00085 0.00539 -0.00099 0.00230 -0.00121 113 4YZ 0.00558 -0.01374 0.00905 -0.00596 0.00807 114 12 C 1S -0.00473 -0.02868 0.00882 0.02362 -0.04189 115 2S 0.02223 0.05165 -0.04384 -0.04894 0.06232 116 2PX -0.03691 0.29282 -0.00788 -0.00127 0.03384 117 2PY 0.00633 -0.09312 0.01683 -0.07482 0.08529 118 2PZ 0.02554 -0.18156 0.01179 0.00260 -0.01082 119 3S -0.04324 0.21357 0.08577 -0.26269 0.59800 120 3PX -0.01505 0.37271 -0.00151 0.00401 0.12821 121 3PY 0.03918 -0.10312 -0.02699 -0.16938 0.23973 122 3PZ 0.04465 -0.21537 0.03742 0.04879 0.06928 123 4XX -0.01126 0.00020 0.01993 -0.00062 -0.00327 124 4YY 0.00295 -0.00195 -0.00423 0.00824 -0.00910 125 4ZZ 0.00571 -0.00747 -0.01352 -0.00332 0.00293 126 4XY 0.00115 0.00500 -0.00005 0.00252 -0.00055 127 4XZ 0.00523 0.00384 -0.00879 -0.00656 -0.00084 128 4YZ 0.00006 -0.00467 0.00028 -0.00384 -0.00171 129 13 C 1S -0.01157 0.01411 0.01541 0.05243 0.00921 130 2S 0.02705 -0.02559 -0.03229 -0.07738 -0.00303 131 2PX -0.00743 0.01030 0.02049 -0.09419 -0.10188 132 2PY -0.00756 0.01787 -0.02728 -0.05154 -0.02532 133 2PZ -0.04300 0.02632 0.05412 -0.08098 0.00526 134 3S 0.03924 -0.12994 -0.14371 -0.73834 -0.26478 135 3PX -0.01337 0.01227 0.05387 -0.18145 -0.21144 136 3PY -0.00261 -0.01359 -0.04796 -0.19722 -0.15842 137 3PZ -0.03372 0.01991 0.04196 -0.16110 0.07278 138 4XX -0.00183 -0.00649 0.00244 0.01073 0.00045 139 4YY 0.00255 -0.00565 -0.00081 -0.00369 -0.00067 140 4ZZ -0.00267 0.01495 -0.00076 0.00228 -0.00187 141 4XY 0.00040 0.00587 0.00101 0.00322 0.00055 142 4XZ 0.00392 -0.01388 -0.00243 0.00026 0.00083 143 4YZ -0.00099 0.00202 0.00226 0.00681 -0.00837 144 14 C 1S -0.01156 0.01410 -0.01543 0.05242 0.00921 145 2S 0.02704 -0.02557 0.03233 -0.07738 -0.00303 146 2PX -0.00735 0.01028 -0.02052 -0.09420 -0.10191 147 2PY 0.00756 -0.01793 -0.02724 0.05153 0.02529 148 2PZ -0.04304 0.02624 -0.05414 -0.08094 0.00530 149 3S 0.03908 -0.12988 0.14387 -0.73823 -0.26479 150 3PX -0.01334 0.01219 -0.05390 -0.18145 -0.21143 151 3PY 0.00260 0.01346 -0.04797 0.19717 0.15830 152 3PZ -0.03374 0.01979 -0.04197 -0.16087 0.07302 153 4XX -0.00182 -0.00651 -0.00243 0.01073 0.00045 154 4YY 0.00255 -0.00565 0.00082 -0.00369 -0.00067 155 4ZZ -0.00268 0.01496 0.00074 0.00227 -0.00187 156 4XY -0.00040 -0.00587 0.00102 -0.00322 -0.00055 157 4XZ 0.00394 -0.01387 0.00245 0.00026 0.00083 158 4YZ 0.00100 -0.00202 0.00226 -0.00682 0.00837 159 15 C 1S -0.00471 -0.02868 -0.00878 0.02362 -0.04188 160 2S 0.02219 0.05170 0.04379 -0.04895 0.06230 161 2PX -0.03721 0.29285 0.00754 -0.00131 0.03376 162 2PY -0.00643 0.09313 0.01672 0.07479 -0.08531 163 2PZ 0.02574 -0.18159 -0.01157 0.00264 -0.01081 164 3S -0.04328 0.21338 -0.08600 -0.26256 0.59803 165 3PX -0.01531 0.37271 0.00102 0.00394 0.12807 166 3PY -0.03920 0.10307 -0.02712 0.16936 -0.23973 167 3PZ 0.04482 -0.21544 -0.03715 0.04885 0.06927 168 4XX -0.01125 0.00017 -0.01993 -0.00063 -0.00327 169 4YY 0.00295 -0.00194 0.00423 0.00824 -0.00911 170 4ZZ 0.00570 -0.00745 0.01353 -0.00331 0.00293 171 4XY -0.00115 -0.00501 -0.00004 -0.00251 0.00055 172 4XZ 0.00524 0.00385 0.00879 -0.00656 -0.00084 173 4YZ -0.00006 0.00467 0.00027 0.00384 0.00171 174 16 H 1S -0.00342 0.02131 0.01090 0.02993 -0.02732 175 2S -0.00400 0.06251 0.06745 0.37819 -0.61036 176 17 H 1S -0.00339 0.02130 -0.01093 0.02993 -0.02732 177 2S -0.00394 0.06244 -0.06757 0.37818 -0.61039 178 18 H 1S 0.01302 -0.01335 -0.01335 0.02888 -0.02884 179 2S 0.00686 -0.05556 -0.01293 0.42893 -0.62079 180 19 H 1S 0.00218 -0.02834 0.00552 0.03639 0.00738 181 2S 0.02543 -0.04312 0.00654 0.67013 0.35020 182 20 H 1S 0.00227 -0.02837 -0.00547 0.03639 0.00740 183 2S 0.02561 -0.04313 -0.00645 0.66992 0.35020 184 21 H 1S 0.01304 -0.01334 0.01335 0.02888 -0.02885 185 2S 0.00692 -0.05553 0.01293 0.42886 -0.62077 186 22 H 1S -0.01960 0.06087 0.01280 0.01248 -0.01631 187 2S -0.04984 0.20041 0.09812 0.34462 -0.17665 188 23 H 1S -0.01970 0.06087 -0.01288 0.01246 -0.01634 189 2S -0.04995 0.20034 -0.09842 0.34456 -0.17680 46 47 48 49 50 V V V V V Eigenvalues -- 0.11913 0.12247 0.12316 0.13517 0.14424 1 1 C 1S 0.04795 -0.00479 0.00442 0.02435 0.04020 2 2S -0.10826 0.00040 -0.02734 -0.02953 -0.08332 3 2PX 0.06039 -0.25231 0.06412 0.06632 -0.11908 4 2PY 0.09225 0.04988 0.00960 0.09771 0.05144 5 2PZ -0.10924 0.05748 0.07975 0.17975 -0.10591 6 3S -0.37780 0.13570 -0.07434 -0.54007 -0.46680 7 3PX 0.18576 -0.44148 0.14972 0.22739 -0.28795 8 3PY 0.15635 0.23160 0.04301 0.24364 0.21889 9 3PZ 0.02090 0.07155 0.19133 0.38933 -0.20636 10 4XX 0.00753 -0.00247 -0.00619 0.00002 0.00834 11 4YY -0.00150 -0.00781 -0.00047 0.00529 -0.01141 12 4ZZ 0.00678 0.00150 0.00663 0.00097 0.00472 13 4XY 0.00013 0.01187 0.00427 0.01083 -0.01372 14 4XZ 0.00122 0.00904 -0.00763 0.00082 0.01365 15 4YZ 0.00252 -0.00006 0.01331 0.01507 -0.01041 16 2 O 1S -0.04230 -0.06527 0.01884 0.00217 -0.04984 17 2S 0.06951 0.08825 -0.03304 -0.01869 0.07547 18 2PX 0.00178 0.09490 0.07681 0.07939 -0.09372 19 2PY 0.07144 0.08540 -0.04961 0.00007 0.07173 20 2PZ 0.07570 0.04201 0.01096 0.03753 -0.10706 21 3S 0.44681 0.81303 -0.23976 -0.00218 0.59811 22 3PX 0.05123 0.13255 0.12512 0.14089 -0.12567 23 3PY 0.13424 0.21632 -0.10701 -0.02039 0.15247 24 3PZ 0.13525 0.06385 0.01425 0.05124 -0.19970 25 4XX -0.02420 -0.02278 0.00585 -0.00588 -0.02160 26 4YY -0.00312 -0.01306 0.00005 -0.00295 -0.01109 27 4ZZ -0.01341 -0.03603 0.00589 -0.00764 -0.01768 28 4XY 0.00078 -0.00038 -0.00394 -0.00725 -0.00875 29 4XZ -0.00908 -0.00784 -0.00536 -0.00310 -0.00242 30 4YZ 0.00293 0.00180 0.00258 -0.00064 0.00283 31 3 C 1S 0.00003 0.00002 0.00923 0.05793 0.06459 32 2S -0.00001 -0.00016 -0.04201 -0.09731 -0.09101 33 2PX 0.00005 -0.00035 -0.09027 -0.07811 -0.24186 34 2PY 0.22821 0.34648 -0.00130 0.00001 -0.00001 35 2PZ -0.00003 0.00020 0.03439 0.03544 0.13725 36 3S -0.00043 -0.00014 -0.08882 -0.79181 -0.99101 37 3PX 0.00023 -0.00136 -0.33436 -0.13282 -0.61817 38 3PY 0.62489 0.88994 -0.00328 0.00000 -0.00003 39 3PZ -0.00007 0.00045 0.07125 0.07099 0.31589 40 4XX 0.00000 0.00002 0.00475 0.00394 0.01355 41 4YY 0.00000 0.00000 0.00130 0.00812 -0.00621 42 4ZZ 0.00001 -0.00001 -0.00352 0.00275 0.00523 43 4XY 0.01713 0.01392 -0.00004 0.00000 0.00000 44 4XZ 0.00001 -0.00002 -0.00444 0.00494 0.00598 45 4YZ 0.01048 0.02309 -0.00009 0.00000 0.00000 46 4 C 1S -0.04793 0.00481 0.00428 0.02437 0.04022 47 2S 0.10827 -0.00061 -0.02711 -0.02955 -0.08337 48 2PX -0.06057 0.25289 0.06182 0.06638 -0.11901 49 2PY 0.09220 0.04985 -0.00988 -0.09777 -0.05143 50 2PZ 0.10911 -0.05681 0.08043 0.17973 -0.10594 51 3S 0.37761 -0.13606 -0.07233 -0.54041 -0.46710 52 3PX -0.18617 0.44281 0.14551 0.22754 -0.28776 53 3PY 0.15629 0.23136 -0.04476 -0.24367 -0.21882 54 3PZ -0.02124 -0.06992 0.19182 0.38939 -0.20633 55 4XX -0.00752 0.00241 -0.00623 0.00003 0.00835 56 4YY 0.00149 0.00781 -0.00053 0.00530 -0.01141 57 4ZZ -0.00679 -0.00145 0.00663 0.00097 0.00473 58 4XY 0.00014 0.01183 -0.00437 -0.01083 0.01372 59 4XZ -0.00119 -0.00911 -0.00755 0.00081 0.01366 60 4YZ 0.00255 -0.00017 -0.01330 -0.01507 0.01041 61 5 H 1S 0.00003 -0.00007 -0.01376 0.00902 0.02088 62 2S 0.00046 -0.00081 -0.15921 0.24446 -0.09559 63 6 H 1S 0.00001 0.00005 0.01444 0.00763 0.07892 64 2S -0.00009 0.00177 0.46081 0.59982 1.41911 65 7 O 1S 0.04224 0.06544 0.01835 0.00218 -0.04983 66 2S -0.06941 -0.08854 -0.03241 -0.01869 0.07547 67 2PX -0.00198 -0.09421 0.07763 0.07938 -0.09374 68 2PY 0.07131 0.08583 0.04900 -0.00008 -0.07172 69 2PZ -0.07573 -0.04186 0.01120 0.03753 -0.10707 70 3S -0.44602 -0.81518 -0.23352 -0.00225 0.59803 71 3PX -0.05153 -0.13146 0.12616 0.14089 -0.12566 72 3PY 0.13397 0.21725 0.10538 0.02039 -0.15242 73 3PZ -0.13529 -0.06363 0.01458 0.05125 -0.19973 74 4XX 0.02418 0.02284 0.00570 -0.00588 -0.02160 75 4YY 0.00311 0.01306 -0.00006 -0.00294 -0.01109 76 4ZZ 0.01338 0.03608 0.00560 -0.00764 -0.01767 77 4XY 0.00078 -0.00035 0.00395 0.00725 0.00874 78 4XZ 0.00909 0.00779 -0.00541 -0.00309 -0.00242 79 4YZ 0.00294 0.00177 -0.00259 0.00064 -0.00283 80 8 H 1S -0.04689 -0.03214 0.03828 0.05617 -0.00896 81 2S -0.41336 -0.11653 0.35417 0.94737 0.08390 82 9 H 1S 0.04683 0.03246 0.03809 0.05617 -0.00897 83 2S 0.41293 0.11926 0.35405 0.94711 0.08367 84 10 C 1S -0.01468 0.01328 -0.03552 -0.01152 0.01726 85 2S 0.02923 -0.03685 0.05315 0.02270 -0.04594 86 2PX -0.20623 0.06435 -0.03865 -0.04249 -0.01089 87 2PY 0.01538 -0.01240 -0.04976 -0.01766 0.02897 88 2PZ 0.17845 -0.06632 -0.10278 0.00493 0.07773 89 3S 0.08367 -0.07414 0.54977 0.13740 -0.28582 90 3PX -0.36928 0.17301 -0.09708 -0.06049 0.04050 91 3PY -0.00917 0.03507 -0.19858 -0.03519 0.12841 92 3PZ 0.25904 -0.09550 -0.21144 -0.02212 0.10547 93 4XX 0.00911 -0.00567 -0.00668 -0.00170 0.00608 94 4YY -0.00705 0.00493 0.00451 0.00139 -0.00422 95 4ZZ -0.00669 0.00217 -0.00544 -0.00081 -0.00409 96 4XY 0.00975 -0.00313 -0.00602 -0.00814 0.00192 97 4XZ 0.00165 -0.00403 -0.00389 -0.00212 -0.00251 98 4YZ -0.00496 0.00063 -0.00978 0.00140 0.00319 99 11 C 1S 0.01474 -0.01359 -0.03538 -0.01151 0.01725 100 2S -0.02934 0.03732 0.05279 0.02269 -0.04593 101 2PX 0.20625 -0.06467 -0.03770 -0.04253 -0.01097 102 2PY 0.01530 -0.01195 0.04995 0.01762 -0.02898 103 2PZ -0.17827 0.06540 -0.10368 0.00503 0.07779 104 3S -0.08451 0.07899 0.54896 0.13714 -0.28578 105 3PX 0.36939 -0.17384 -0.09490 -0.06048 0.04030 106 3PY -0.00950 0.03683 0.19838 0.03516 -0.12838 107 3PZ -0.25872 0.09365 -0.21277 -0.02185 0.10556 108 4XX -0.00909 0.00561 -0.00674 -0.00169 0.00609 109 4YY 0.00703 -0.00489 0.00456 0.00139 -0.00422 110 4ZZ 0.00669 -0.00222 -0.00541 -0.00081 -0.00410 111 4XY 0.00974 -0.00308 0.00607 0.00813 -0.00192 112 4XZ -0.00164 0.00399 -0.00393 -0.00211 -0.00252 113 4YZ -0.00498 0.00072 0.00977 -0.00140 -0.00318 114 12 C 1S 0.01241 -0.01041 0.00410 -0.00801 -0.01006 115 2S -0.02185 0.01815 -0.01712 0.02439 0.01470 116 2PX -0.20661 0.13138 -0.04533 0.02646 0.03322 117 2PY 0.06480 -0.07483 0.06419 0.02516 -0.00246 118 2PZ 0.09826 -0.06763 -0.02081 -0.02585 0.01728 119 3S -0.13111 0.09174 -0.00566 0.04198 0.14333 120 3PX -0.26559 0.25661 -0.07971 0.11191 -0.05441 121 3PY 0.13962 -0.21288 0.13890 0.09381 0.01962 122 3PZ 0.14775 -0.00938 0.04899 -0.18968 -0.00190 123 4XX -0.00752 0.00134 0.00519 -0.00037 -0.00387 124 4YY -0.00256 0.00269 -0.00866 -0.00709 0.00507 125 4ZZ 0.01374 -0.00790 0.00162 0.00656 -0.00245 126 4XY -0.00785 0.00711 -0.01061 0.00574 -0.00282 127 4XZ -0.00242 0.00428 0.00485 0.00070 0.00048 128 4YZ 0.00725 -0.00382 -0.00072 -0.00433 0.00346 129 13 C 1S 0.00823 0.02089 0.01863 -0.03955 -0.00565 130 2S -0.00741 -0.00502 -0.01714 0.04340 0.00174 131 2PX -0.04542 -0.02589 0.11935 -0.11347 0.09431 132 2PY 0.05816 -0.05307 -0.02556 0.06760 0.01919 133 2PZ -0.02592 -0.01234 -0.14049 0.08816 0.01757 134 3S -0.13039 -0.44896 -0.39923 0.70594 0.14616 135 3PX -0.14960 -0.08411 0.34190 -0.30789 0.28080 136 3PY 0.15462 -0.10126 -0.13649 0.19189 0.03920 137 3PZ -0.04654 0.01096 -0.36406 0.20457 0.03944 138 4XX 0.00359 0.00007 0.00593 -0.00341 -0.00483 139 4YY 0.00718 -0.00134 0.00096 -0.00205 -0.00170 140 4ZZ -0.00924 0.00874 -0.00223 -0.00287 0.00399 141 4XY -0.00507 0.00117 -0.01140 0.00253 -0.00577 142 4XZ 0.00817 -0.00747 -0.01276 -0.00043 0.00028 143 4YZ -0.00192 0.00065 0.00398 -0.00403 -0.00053 144 14 C 1S -0.00827 -0.02073 0.01879 -0.03953 -0.00565 145 2S 0.00746 0.00486 -0.01718 0.04339 0.00173 146 2PX 0.04514 0.02697 0.11913 -0.11346 0.09430 147 2PY 0.05812 -0.05285 0.02621 -0.06771 -0.01920 148 2PZ 0.02617 0.01111 -0.14057 0.08818 0.01754 149 3S 0.13111 0.44546 -0.40273 0.70578 0.14626 150 3PX 0.14884 0.08715 0.34113 -0.30782 0.28075 151 3PY 0.15441 -0.10006 0.13791 -0.19212 -0.03921 152 3PZ 0.04728 -0.01420 -0.36403 0.20476 0.03926 153 4XX -0.00361 -0.00001 0.00592 -0.00341 -0.00483 154 4YY -0.00718 0.00134 0.00093 -0.00205 -0.00170 155 4ZZ 0.00924 -0.00877 -0.00214 -0.00287 0.00398 156 4XY -0.00509 0.00127 0.01138 -0.00253 0.00577 157 4XZ -0.00815 0.00735 -0.01284 -0.00043 0.00029 158 4YZ -0.00191 0.00062 -0.00399 0.00403 0.00053 159 15 C 1S -0.01242 0.01044 0.00399 -0.00802 -0.01006 160 2S 0.02189 -0.01829 -0.01691 0.02438 0.01471 161 2PX 0.20671 -0.13178 -0.04382 0.02638 0.03312 162 2PY 0.06488 -0.07538 -0.06336 -0.02529 0.00243 163 2PZ -0.09822 0.06744 -0.02156 -0.02582 0.01734 164 3S 0.13125 -0.09174 -0.00480 0.04236 0.14321 165 3PX 0.26580 -0.25730 -0.07699 0.11182 -0.05458 166 3PY 0.13979 -0.21408 -0.13677 -0.09406 -0.01970 167 3PZ -0.14780 0.00979 0.04861 -0.18960 -0.00185 168 4XX 0.00750 -0.00129 0.00522 -0.00037 -0.00388 169 4YY 0.00258 -0.00277 -0.00863 -0.00710 0.00507 170 4ZZ -0.01373 0.00791 0.00152 0.00657 -0.00244 171 4XY -0.00787 0.00721 0.01053 -0.00574 0.00282 172 4XZ 0.00241 -0.00424 0.00488 0.00070 0.00048 173 4YZ 0.00725 -0.00381 0.00077 0.00432 -0.00346 174 16 H 1S -0.01551 -0.00661 -0.05051 -0.02521 0.00285 175 2S -0.04185 0.04407 -0.71019 -0.19465 0.35533 176 17 H 1S 0.01559 0.00617 -0.05055 -0.02521 0.00283 177 2S 0.04292 -0.05030 -0.70985 -0.19427 0.35527 178 18 H 1S -0.01966 0.01709 -0.02661 -0.02467 0.01511 179 2S -0.09641 0.19841 -0.19916 -0.22067 -0.05303 180 19 H 1S 0.02406 -0.01423 -0.03243 0.00355 -0.02960 181 2S 0.18922 0.24111 -0.18627 -0.04942 -0.45206 182 20 H 1S -0.02402 0.01395 -0.03258 0.00355 -0.02959 183 2S -0.18876 -0.24276 -0.18439 -0.04942 -0.45199 184 21 H 1S 0.01970 -0.01732 -0.02642 -0.02469 0.01510 185 2S 0.09663 -0.20020 -0.19709 -0.22121 -0.05306 186 22 H 1S -0.04446 0.03888 0.06325 -0.02405 0.01626 187 2S -0.19437 0.21322 0.88151 -0.81909 0.17498 188 23 H 1S 0.04433 -0.03832 0.06366 -0.02407 0.01623 189 2S 0.19255 -0.20546 0.88362 -0.81926 0.17485 51 52 53 54 55 V V V V V Eigenvalues -- 0.14526 0.16394 0.17144 0.17765 0.19270 1 1 C 1S -0.03254 -0.05606 -0.00411 0.01466 0.06493 2 2S 0.03710 0.09082 0.01993 -0.01501 -0.09275 3 2PX 0.05902 0.06276 0.05492 0.02288 -0.02880 4 2PY -0.01604 -0.12470 -0.02487 -0.03174 0.01153 5 2PZ -0.13296 0.01296 0.08416 0.07702 0.20248 6 3S 0.64247 0.90726 -0.10960 -0.25881 -1.08653 7 3PX -0.00648 0.24257 0.12472 0.14353 0.17584 8 3PY 0.04392 -0.44253 0.09528 0.02056 0.01107 9 3PZ -0.45769 0.03541 0.16420 0.30119 0.68649 10 4XX -0.00607 -0.00893 -0.00391 0.00026 0.00874 11 4YY -0.00410 0.00892 -0.00009 0.01066 0.01365 12 4ZZ 0.00078 -0.00113 0.00303 -0.00264 -0.00179 13 4XY -0.00230 0.00448 0.00853 -0.00278 0.00029 14 4XZ -0.00458 -0.01416 -0.00530 0.00129 0.00699 15 4YZ 0.00612 0.01154 0.00978 -0.00383 -0.01065 16 2 O 1S -0.00160 0.05755 -0.00666 0.01644 0.01099 17 2S -0.00091 -0.07982 0.00192 -0.00468 -0.00176 18 2PX -0.01523 0.12681 0.05152 -0.04747 -0.02948 19 2PY -0.03312 -0.10929 0.03791 -0.04564 0.01498 20 2PZ 0.05334 0.05958 0.08771 -0.00973 -0.07355 21 3S 0.05084 -0.76973 0.12912 -0.29211 -0.22684 22 3PX -0.04420 0.28571 0.07354 -0.02559 0.00308 23 3PY -0.00797 -0.23064 0.10396 -0.08183 -0.04556 24 3PZ 0.07018 0.10990 0.13189 -0.04118 -0.11098 25 4XX -0.00041 0.01876 0.00122 0.01400 0.00845 26 4YY -0.00369 0.01340 -0.00496 0.00846 0.00865 27 4ZZ 0.00378 0.02486 -0.00495 0.00872 -0.00013 28 4XY -0.00258 0.00366 -0.00285 0.00136 0.00432 29 4XZ 0.00418 -0.00495 0.00568 0.00708 -0.00279 30 4YZ 0.00053 0.00850 -0.00258 0.00567 0.00325 31 3 C 1S -0.00002 -0.01527 0.03925 -0.00001 -0.00003 32 2S 0.00003 0.02414 -0.06069 0.00002 0.00005 33 2PX 0.00002 -0.32140 0.16687 -0.00005 -0.00005 34 2PY 0.00270 0.00003 -0.00002 -0.14840 -0.09948 35 2PZ -0.00001 0.03836 -0.04019 0.00002 -0.00001 36 3S 0.00024 -0.02684 -0.49149 0.00017 0.00044 37 3PX 0.00003 -0.87052 0.49208 -0.00019 -0.00019 38 3PY 0.00464 0.00006 -0.00004 -0.27944 -0.20322 39 3PZ -0.00002 0.03015 -0.04324 0.00006 -0.00007 40 4XX 0.00000 0.00021 -0.00486 0.00000 0.00000 41 4YY 0.00000 0.00357 0.01187 0.00000 -0.00001 42 4ZZ 0.00000 -0.00503 -0.00247 0.00000 0.00000 43 4XY -0.00082 0.00000 0.00000 -0.01056 -0.00500 44 4XZ 0.00000 -0.01428 0.00539 0.00000 -0.00001 45 4YZ -0.00493 0.00000 0.00000 -0.00687 0.00108 46 4 C 1S 0.03254 -0.05606 -0.00411 -0.01466 -0.06491 47 2S -0.03711 0.09084 0.01994 0.01500 0.09271 48 2PX -0.05907 0.06273 0.05490 -0.02287 0.02878 49 2PY -0.01606 0.12471 0.02484 -0.03174 0.01152 50 2PZ 0.13288 0.01305 0.08417 -0.07704 -0.20252 51 3S -0.64240 0.90716 -0.10957 0.25885 1.08633 52 3PX 0.00632 0.24253 0.12467 -0.14354 -0.17593 53 3PY 0.04387 0.44259 -0.09534 0.02066 0.01114 54 3PZ 0.45755 0.03560 0.16418 -0.30120 -0.68657 55 4XX 0.00607 -0.00893 -0.00391 -0.00026 -0.00873 56 4YY 0.00410 0.00892 -0.00009 -0.01066 -0.01365 57 4ZZ -0.00078 -0.00113 0.00303 0.00264 0.00178 58 4XY -0.00229 -0.00448 -0.00853 -0.00277 0.00030 59 4XZ 0.00459 -0.01416 -0.00531 -0.00129 -0.00699 60 4YZ 0.00613 -0.01154 -0.00978 -0.00384 -0.01064 61 5 H 1S 0.00000 -0.02509 -0.00110 -0.00001 0.00000 62 2S -0.00007 -0.41255 0.49971 -0.00024 -0.00023 63 6 H 1S 0.00000 0.01457 -0.03335 0.00001 0.00002 64 2S -0.00017 1.06610 -0.40322 0.00016 0.00000 65 7 O 1S 0.00159 0.05756 -0.00666 -0.01644 -0.01098 66 2S 0.00092 -0.07983 0.00193 0.00468 0.00175 67 2PX 0.01517 0.12681 0.05154 0.04746 0.02941 68 2PY -0.03311 0.10929 -0.03793 -0.04561 0.01506 69 2PZ -0.05339 0.05958 0.08770 0.00969 0.07347 70 3S -0.05077 -0.76985 0.12920 0.29199 0.22666 71 3PX 0.04408 0.28571 0.07356 0.02560 -0.00321 72 3PY -0.00795 0.23065 -0.10402 -0.08176 -0.04539 73 3PZ -0.07025 0.10991 0.13187 0.04111 0.11082 74 4XX 0.00041 0.01877 0.00121 -0.01400 -0.00845 75 4YY 0.00369 0.01341 -0.00496 -0.00846 -0.00864 76 4ZZ -0.00378 0.02486 -0.00496 -0.00871 0.00014 77 4XY -0.00258 -0.00366 0.00285 0.00136 0.00432 78 4XZ -0.00418 -0.00495 0.00568 -0.00708 0.00278 79 4YZ 0.00054 -0.00851 0.00259 0.00567 0.00325 80 8 H 1S -0.00142 -0.00535 0.04189 0.00119 -0.01946 81 2S 0.65960 -0.66001 0.32099 -0.36221 -1.14809 82 9 H 1S 0.00139 -0.00534 0.04189 -0.00119 0.01944 83 2S -0.65987 -0.66009 0.32096 0.36216 1.14816 84 10 C 1S -0.02425 0.01341 0.03540 0.04226 -0.05794 85 2S 0.03790 0.03153 -0.03291 -0.06382 0.07418 86 2PX -0.06625 0.07769 0.04042 -0.02960 -0.07377 87 2PY -0.06667 0.04460 0.08608 -0.01235 -0.06307 88 2PZ -0.06128 0.00047 0.03381 0.05977 -0.06876 89 3S 0.58894 -0.40560 -0.73678 -0.58843 0.87170 90 3PX -0.25316 0.05585 0.05156 0.06338 -0.24378 91 3PY 0.06280 0.14059 0.35773 0.05288 -0.20154 92 3PZ -0.23344 0.02448 0.02644 0.27870 -0.43095 93 4XX -0.00007 -0.00263 -0.00019 -0.00112 -0.00857 94 4YY 0.00806 0.00632 -0.00049 0.01160 -0.00477 95 4ZZ -0.00483 0.00783 0.00683 -0.00001 -0.00218 96 4XY 0.00076 0.00554 0.00138 0.00028 0.00198 97 4XZ 0.00005 0.00677 0.00325 -0.00108 -0.00453 98 4YZ 0.00102 -0.00218 -0.00822 -0.00325 0.00261 99 11 C 1S 0.02424 0.01342 0.03540 -0.04226 0.05795 100 2S -0.03790 0.03153 -0.03290 0.06380 -0.07421 101 2PX 0.06622 0.07773 0.04044 0.02960 0.07377 102 2PY -0.06666 -0.04462 -0.08610 -0.01233 -0.06310 103 2PZ 0.06123 0.00044 0.03380 -0.05978 0.06878 104 3S -0.58870 -0.40584 -0.73679 0.58855 -0.87175 105 3PX 0.25315 0.05588 0.05154 -0.06337 0.24381 106 3PY 0.06282 -0.14055 -0.35770 0.05297 -0.20171 107 3PZ 0.23339 0.02438 0.02637 -0.27864 0.43101 108 4XX 0.00007 -0.00263 -0.00019 0.00112 0.00857 109 4YY -0.00806 0.00632 -0.00049 -0.01160 0.00477 110 4ZZ 0.00483 0.00783 0.00684 0.00000 0.00218 111 4XY 0.00075 -0.00554 -0.00138 0.00028 0.00198 112 4XZ -0.00005 0.00677 0.00325 0.00108 0.00454 113 4YZ 0.00102 0.00217 0.00822 -0.00325 0.00261 114 12 C 1S 0.04504 -0.01273 -0.08276 0.00568 -0.01578 115 2S -0.06345 0.01532 0.09998 -0.03025 0.05214 116 2PX -0.07405 -0.05081 -0.02173 0.03494 0.00215 117 2PY -0.20027 0.00292 0.07367 -0.05771 -0.07587 118 2PZ 0.04236 0.03333 0.10838 0.03262 -0.03257 119 3S -0.86614 0.25128 1.44148 0.00760 -0.00376 120 3PX -0.12927 -0.09754 -0.09351 0.07811 -0.09257 121 3PY -0.60181 -0.06307 0.25369 -0.33140 -0.02686 122 3PZ 0.00887 0.04848 0.22296 0.36970 -0.04448 123 4XX 0.00488 0.00115 -0.00527 -0.00106 -0.00506 124 4YY 0.00187 0.00041 -0.00066 -0.00267 0.01113 125 4ZZ 0.00171 -0.00448 -0.01047 0.00257 -0.00737 126 4XY 0.00121 0.00341 -0.00076 0.00455 -0.00474 127 4XZ -0.00652 -0.00018 -0.00084 0.00032 -0.00377 128 4YZ -0.00442 0.00439 0.00510 0.01351 -0.00337 129 13 C 1S 0.00353 -0.00214 0.03764 0.11464 -0.00881 130 2S 0.02170 -0.01214 -0.03723 -0.09203 -0.00022 131 2PX -0.03250 -0.01434 0.09149 -0.00514 0.01488 132 2PY -0.07350 0.00883 -0.04077 0.04691 -0.09719 133 2PZ -0.05413 0.08230 0.06545 -0.10603 0.01340 134 3S -0.25095 0.12611 -0.62808 -2.23036 0.21046 135 3PX -0.11652 0.05133 0.31202 0.07391 0.16641 136 3PY 0.05572 0.03158 -0.28534 0.46153 -0.31944 137 3PZ -0.09330 0.16450 0.27480 -0.21917 -0.05669 138 4XX 0.00716 0.00076 -0.00269 0.00209 0.00103 139 4YY -0.00723 -0.00271 -0.00299 0.01886 -0.00931 140 4ZZ 0.00476 -0.00095 0.01230 0.00190 0.00650 141 4XY -0.00052 -0.00303 -0.01179 0.00046 0.00074 142 4XZ 0.00385 -0.00085 0.00567 -0.00039 0.00394 143 4YZ 0.00037 -0.00453 -0.01440 -0.00166 0.00248 144 14 C 1S -0.00351 -0.00213 0.03760 -0.11465 0.00883 145 2S -0.02171 -0.01217 -0.03721 0.09204 0.00019 146 2PX 0.03258 -0.01432 0.09150 0.00511 -0.01487 147 2PY -0.07348 -0.00882 0.04081 0.04686 -0.09715 148 2PZ 0.05401 0.08229 0.06548 0.10606 -0.01342 149 3S 0.25063 0.12599 -0.62730 2.23066 -0.21080 150 3PX 0.11670 0.05135 0.31208 -0.07406 -0.16636 151 3PY 0.05580 -0.03144 0.28560 0.46136 -0.31932 152 3PZ 0.09307 0.16437 0.27481 0.21922 0.05663 153 4XX -0.00716 0.00076 -0.00269 -0.00209 -0.00103 154 4YY 0.00723 -0.00271 -0.00300 -0.01886 0.00931 155 4ZZ -0.00476 -0.00095 0.01230 -0.00191 -0.00650 156 4XY -0.00052 0.00303 0.01179 0.00046 0.00074 157 4XZ -0.00385 -0.00085 0.00568 0.00039 -0.00394 158 4YZ 0.00037 0.00452 0.01439 -0.00167 0.00249 159 15 C 1S -0.04502 -0.01274 -0.08277 -0.00567 0.01577 160 2S 0.06343 0.01536 0.10001 0.03023 -0.05212 161 2PX 0.07401 -0.05073 -0.02172 -0.03491 -0.00217 162 2PY -0.20028 -0.00295 -0.07371 -0.05768 -0.07591 163 2PZ -0.04241 0.03330 0.10836 -0.03268 0.03257 164 3S 0.86596 0.25146 1.44160 -0.00799 0.00397 165 3PX 0.12912 -0.09737 -0.09350 -0.07813 0.09262 166 3PY -0.60183 0.06283 -0.25390 -0.33130 -0.02704 167 3PZ -0.00892 0.04848 0.22283 -0.36990 0.04459 168 4XX -0.00487 0.00114 -0.00528 0.00107 0.00506 169 4YY -0.00187 0.00042 -0.00065 0.00267 -0.01113 170 4ZZ -0.00171 -0.00449 -0.01047 -0.00256 0.00737 171 4XY 0.00122 -0.00341 0.00076 0.00455 -0.00474 172 4XZ 0.00652 -0.00018 -0.00084 -0.00032 0.00377 173 4YZ -0.00442 -0.00439 -0.00510 0.01351 -0.00338 174 16 H 1S -0.00645 0.03753 0.01574 0.00140 -0.04622 175 2S -0.59147 0.33125 0.60685 0.47285 -1.01045 176 17 H 1S 0.00643 0.03754 0.01574 -0.00140 0.04622 177 2S 0.59122 0.33130 0.60684 -0.47290 1.01066 178 18 H 1S 0.02118 0.00172 -0.02368 -0.01787 0.04065 179 2S 1.13261 -0.02809 -0.85857 0.32462 0.14181 180 19 H 1S 0.02072 -0.01305 -0.03991 0.00289 0.00958 181 2S 0.26002 -0.16328 -0.16953 0.67482 0.00798 182 20 H 1S -0.02073 -0.01305 -0.03989 -0.00288 -0.00956 183 2S -0.25998 -0.16312 -0.16968 -0.67473 -0.00783 184 21 H 1S -0.02117 0.00172 -0.02367 0.01788 -0.04066 185 2S -1.13254 -0.02842 -0.85880 -0.32446 -0.14204 186 22 H 1S -0.00950 -0.00345 -0.00524 0.00689 0.01236 187 2S 0.07311 -0.20813 0.31223 0.87859 0.19387 188 23 H 1S 0.00952 -0.00343 -0.00525 -0.00688 -0.01237 189 2S -0.07263 -0.20793 0.31196 -0.87882 -0.19370 56 57 58 59 60 V V V V V Eigenvalues -- 0.19777 0.20300 0.22889 0.23612 0.24272 1 1 C 1S 0.04177 0.03036 -0.00030 0.00393 -0.01075 2 2S -0.08465 -0.07264 -0.02232 -0.00829 0.01291 3 2PX -0.05172 -0.00310 -0.02247 -0.02250 -0.00381 4 2PY 0.12666 0.03612 0.00701 0.02655 -0.02181 5 2PZ -0.00530 0.08505 -0.00850 -0.03456 -0.02697 6 3S -0.53897 -0.21749 0.07217 0.01603 0.18138 7 3PX -0.08829 0.10866 0.04748 0.00882 -0.02841 8 3PY 0.20064 0.38262 -0.05279 0.08070 -0.06336 9 3PZ -0.03352 0.37431 0.00279 -0.06914 -0.00080 10 4XX 0.00132 0.00559 -0.00472 0.00671 -0.00384 11 4YY 0.00335 0.00683 0.00172 -0.00170 0.00112 12 4ZZ 0.00172 -0.00097 0.00022 -0.00121 0.00003 13 4XY -0.01155 0.00105 -0.00284 0.00374 0.00424 14 4XZ -0.00065 0.00173 -0.00251 0.00326 0.00117 15 4YZ -0.01108 -0.00489 -0.00438 0.00103 -0.00162 16 2 O 1S 0.03753 0.00428 0.01617 -0.00886 0.00529 17 2S -0.03956 0.00497 -0.01839 0.01049 -0.01021 18 2PX -0.15562 -0.01285 -0.08246 0.02239 -0.00970 19 2PY -0.22884 0.01111 -0.09685 0.05048 -0.03011 20 2PZ -0.14123 -0.05266 0.06619 -0.01947 0.02173 21 3S -0.57419 -0.12510 -0.25916 0.10898 -0.07873 22 3PX -0.29282 -0.01047 -0.10256 0.00074 -0.01004 23 3PY -0.49004 -0.05510 -0.16627 0.03416 -0.03145 24 3PZ -0.27048 -0.08383 0.09306 0.00128 0.04718 25 4XX 0.01433 0.00335 0.00695 -0.01039 0.00304 26 4YY 0.01413 0.00250 0.01073 -0.00270 0.00063 27 4ZZ 0.01613 0.00484 -0.00058 -0.00183 -0.00039 28 4XY 0.00569 0.00008 0.00763 -0.00085 0.00252 29 4XZ -0.01377 -0.00552 -0.00621 -0.00775 -0.00280 30 4YZ 0.00570 -0.00204 0.00121 -0.00676 -0.00216 31 3 C 1S -0.13287 0.00005 0.00658 0.00003 0.01037 32 2S 0.21013 -0.00008 0.02146 -0.00011 -0.03317 33 2PX -0.15658 0.00007 -0.02948 0.00014 0.03800 34 2PY 0.00007 0.00208 0.00011 0.12175 -0.00022 35 2PZ -0.15353 0.00003 -0.33515 0.00006 -0.14493 36 3S 1.81189 -0.00072 -0.42561 -0.00012 -0.21405 37 3PX -0.64699 0.00031 0.08746 0.00018 0.07369 38 3PY 0.00014 -0.15172 0.00014 0.09343 -0.00006 39 3PZ -0.60751 0.00014 -0.96028 0.00027 -0.35307 40 4XX 0.01719 -0.00001 -0.00420 -0.00001 -0.00520 41 4YY -0.03106 0.00001 -0.00884 0.00000 -0.00538 42 4ZZ 0.00854 0.00000 0.02074 -0.00001 0.00607 43 4XY 0.00001 0.00318 0.00001 0.01285 -0.00002 44 4XZ -0.02413 0.00001 -0.00910 0.00000 -0.00454 45 4YZ 0.00000 0.00101 0.00000 0.00586 -0.00001 46 4 C 1S 0.04178 -0.03038 -0.00031 -0.00397 -0.01075 47 2S -0.08462 0.07268 -0.02231 0.00836 0.01289 48 2PX -0.05171 0.00312 -0.02242 0.02254 -0.00391 49 2PY -0.12662 0.03620 -0.00698 0.02664 0.02170 50 2PZ -0.00529 -0.08505 -0.00848 0.03448 -0.02709 51 3S -0.53932 0.21779 0.07226 -0.01535 0.18160 52 3PX -0.08825 -0.10862 0.04749 -0.00903 -0.02849 53 3PY -0.20035 0.38282 0.05296 0.08089 0.06295 54 3PZ -0.03353 -0.37425 0.00283 0.06914 -0.00110 55 4XX 0.00132 -0.00559 -0.00473 -0.00671 -0.00381 56 4YY 0.00335 -0.00683 0.00172 0.00170 0.00111 57 4ZZ 0.00173 0.00096 0.00023 0.00121 0.00002 58 4XY 0.01155 0.00104 0.00284 0.00372 -0.00426 59 4XZ -0.00065 -0.00172 -0.00252 -0.00325 0.00118 60 4YZ 0.01108 -0.00490 0.00438 0.00103 0.00162 61 5 H 1S 0.02872 0.00000 0.11738 -0.00003 0.04448 62 2S -0.41072 0.00028 1.47323 -0.00018 0.62704 63 6 H 1S 0.05445 -0.00002 -0.02905 0.00000 -0.01541 64 2S -0.30244 0.00004 -0.22060 -0.00011 -0.13186 65 7 O 1S 0.03754 -0.00431 0.01618 0.00884 0.00526 66 2S -0.03957 -0.00493 -0.01842 -0.01049 -0.01017 67 2PX -0.15564 0.01293 -0.08247 -0.02224 -0.00962 68 2PY 0.22890 0.01092 0.09689 0.05033 0.02993 69 2PZ -0.14117 0.05276 0.06624 0.01944 0.02164 70 3S -0.57432 0.12562 -0.25933 -0.10870 -0.07835 71 3PX -0.29284 0.01063 -0.10253 -0.00054 -0.01008 72 3PY 0.49012 -0.05550 0.16629 0.03386 0.03134 73 3PZ -0.27037 0.08401 0.09310 -0.00123 0.04713 74 4XX 0.01434 -0.00336 0.00696 0.01039 0.00301 75 4YY 0.01413 -0.00251 0.01073 0.00269 0.00062 76 4ZZ 0.01612 -0.00485 -0.00057 0.00183 -0.00040 77 4XY -0.00568 0.00008 -0.00763 -0.00085 -0.00251 78 4XZ -0.01376 0.00553 -0.00621 0.00775 -0.00283 79 4YZ -0.00571 -0.00204 -0.00122 -0.00675 0.00219 80 8 H 1S -0.03844 -0.01575 -0.00971 -0.00109 0.00208 81 2S 0.39784 -0.72278 -0.02310 0.03191 -0.19440 82 9 H 1S -0.03843 0.01578 -0.00971 0.00110 0.00208 83 2S 0.39785 0.72255 -0.02302 -0.03267 -0.19423 84 10 C 1S 0.00902 0.05859 -0.01517 -0.01032 0.00708 85 2S -0.03625 -0.13600 0.05892 0.00286 0.00099 86 2PX -0.01190 0.02095 -0.00001 -0.04953 0.06879 87 2PY 0.01277 0.01848 -0.02987 0.05812 0.09794 88 2PZ 0.02817 0.07635 0.02507 0.02026 0.09178 89 3S -0.05667 -0.42274 0.21138 0.49106 -0.42342 90 3PX 0.04430 0.39521 -0.03050 -0.02988 0.24400 91 3PY 0.08901 0.33951 -0.20718 0.27374 0.33811 92 3PZ 0.06057 0.60400 -0.09392 0.10302 0.42497 93 4XX 0.00059 -0.00135 0.00295 0.00344 -0.00451 94 4YY -0.00387 0.01273 0.00463 -0.00660 0.01302 95 4ZZ 0.00042 -0.00281 -0.00172 0.00599 -0.00901 96 4XY -0.00419 -0.00326 0.00701 0.00144 -0.00905 97 4XZ -0.00138 -0.00016 0.00315 0.00586 -0.01242 98 4YZ -0.00224 -0.00691 0.00326 -0.00123 0.00233 99 11 C 1S 0.00895 -0.05859 -0.01514 0.01036 0.00705 100 2S -0.03612 0.13603 0.05889 -0.00298 0.00099 101 2PX -0.01193 -0.02096 0.00010 0.04982 0.06857 102 2PY -0.01272 0.01852 0.02994 0.05777 -0.09815 103 2PZ 0.02809 -0.07636 0.02509 -0.01999 0.09172 104 3S -0.05598 0.42280 0.21048 -0.49246 -0.42174 105 3PX 0.04395 -0.39523 -0.03029 0.03089 0.24365 106 3PY -0.08865 0.33978 0.20747 0.27244 -0.33899 107 3PZ 0.05997 -0.60406 -0.09377 -0.10129 0.42496 108 4XX 0.00059 0.00135 0.00295 -0.00346 -0.00450 109 4YY -0.00388 -0.01272 0.00464 0.00662 0.01300 110 4ZZ 0.00042 0.00280 -0.00173 -0.00602 -0.00899 111 4XY 0.00419 -0.00326 -0.00700 0.00148 0.00905 112 4XZ -0.00138 0.00016 0.00313 -0.00591 -0.01241 113 4YZ 0.00224 -0.00691 -0.00326 -0.00123 -0.00232 114 12 C 1S -0.03044 0.05350 0.01362 0.01875 0.04416 115 2S 0.04311 -0.08636 -0.01752 -0.04385 -0.05050 116 2PX 0.01099 -0.00094 0.00262 -0.02473 -0.03680 117 2PY 0.05149 -0.10988 -0.09756 0.00696 0.18661 118 2PZ 0.01420 -0.00156 0.07717 -0.00994 -0.19011 119 3S 0.45728 -0.53136 -0.24713 -0.23581 -0.78748 120 3PX 0.11778 -0.07117 0.00419 -0.38243 -0.21672 121 3PY 0.24740 -0.72540 -0.46875 -0.09004 0.92183 122 3PZ 0.08119 0.08535 0.25187 -0.03589 -0.83997 123 4XX -0.00320 -0.00112 0.00295 0.00542 0.00220 124 4YY -0.00205 0.00461 -0.00280 -0.00545 -0.00022 125 4ZZ -0.00167 0.00894 0.00262 0.00162 0.00442 126 4XY 0.00206 0.00611 -0.00356 -0.01081 -0.00140 127 4XZ -0.00275 0.00724 0.00846 0.01199 0.00159 128 4YZ -0.00097 0.00099 0.00728 0.00210 -0.00510 129 13 C 1S 0.01300 -0.06055 -0.03012 -0.01385 -0.06151 130 2S -0.02076 0.09496 0.05545 0.02947 0.05134 131 2PX -0.03118 -0.01280 0.10596 0.29928 0.01809 132 2PY -0.00828 0.00090 0.06483 0.01540 0.07087 133 2PZ 0.03356 0.03290 0.07414 -0.13105 -0.09914 134 3S -0.24234 0.66927 0.47301 0.12302 1.28505 135 3PX -0.06003 0.05730 0.48530 1.18827 -0.09124 136 3PY -0.14198 0.13807 0.19293 0.13342 0.33056 137 3PZ 0.06362 0.24739 0.33310 -0.49920 -0.81760 138 4XX 0.00236 -0.00183 -0.01521 0.00180 0.01029 139 4YY -0.00335 -0.01049 0.00251 -0.00078 0.00189 140 4ZZ 0.00078 -0.00519 0.00889 -0.00326 -0.02398 141 4XY -0.00133 0.00160 -0.01773 0.00762 -0.00054 142 4XZ 0.00080 -0.00284 -0.00776 -0.00146 -0.01388 143 4YZ -0.00610 0.00323 -0.00291 -0.00409 0.01218 144 14 C 1S 0.01305 0.06055 -0.03013 0.01371 -0.06152 145 2S -0.02083 -0.09494 0.05544 -0.02942 0.05139 146 2PX -0.03123 0.01284 0.10549 -0.29934 0.01906 147 2PY 0.00833 0.00091 -0.06474 0.01522 -0.07109 148 2PZ 0.03355 -0.03292 0.07427 0.13073 -0.09951 149 3S -0.24285 -0.66917 0.47341 -0.11973 1.28495 150 3PX -0.06022 -0.05724 0.48347 -1.18932 -0.08754 151 3PY 0.14226 0.13803 -0.19238 0.13247 -0.33163 152 3PZ 0.06348 -0.24731 0.33366 0.49631 -0.81891 153 4XX 0.00236 0.00183 -0.01522 -0.00173 0.01027 154 4YY -0.00335 0.01049 0.00250 0.00078 0.00191 155 4ZZ 0.00079 0.00520 0.00890 0.00316 -0.02399 156 4XY 0.00133 0.00160 0.01774 0.00759 0.00052 157 4XZ 0.00081 0.00284 -0.00775 0.00143 -0.01389 158 4YZ 0.00610 0.00323 0.00290 -0.00412 -0.01216 159 15 C 1S -0.03049 -0.05348 0.01359 -0.01860 0.04421 160 2S 0.04320 0.08633 -0.01744 0.04370 -0.05062 161 2PX 0.01100 0.00091 0.00265 0.02466 -0.03688 162 2PY -0.05153 -0.10981 0.09755 0.00624 -0.18656 163 2PZ 0.01418 0.00155 0.07725 0.00923 -0.19019 164 3S 0.45770 0.53108 -0.24678 0.23311 -0.78825 165 3PX 0.11775 0.07096 0.00484 0.38185 -0.21806 166 3PY -0.24790 -0.72506 0.46853 -0.09376 -0.92124 167 3PZ 0.08101 -0.08546 0.25202 0.03283 -0.84014 168 4XX -0.00320 0.00112 0.00294 -0.00542 0.00222 169 4YY -0.00205 -0.00461 -0.00279 0.00545 -0.00024 170 4ZZ -0.00168 -0.00894 0.00262 -0.00160 0.00443 171 4XY -0.00206 0.00611 0.00354 -0.01081 0.00143 172 4XZ -0.00276 -0.00723 0.00844 -0.01200 0.00164 173 4YZ 0.00098 0.00099 -0.00728 0.00212 0.00508 174 16 H 1S -0.00956 0.01868 0.01231 0.02147 -0.03809 175 2S 0.17314 1.03834 -0.22818 0.06228 0.72441 176 17 H 1S -0.00960 -0.01867 0.01228 -0.02160 -0.03802 177 2S 0.17197 -1.03855 -0.22785 -0.05950 0.72416 178 18 H 1S -0.01806 0.06790 0.00168 -0.02134 -0.00962 179 2S -0.47551 1.09021 0.63488 0.17016 -0.74456 180 19 H 1S -0.00009 -0.02510 -0.12094 -0.03208 0.02497 181 2S 0.16787 -0.45043 -1.03066 -1.22588 -0.28890 182 20 H 1S -0.00004 0.02508 -0.12088 0.03237 0.02481 183 2S 0.16855 0.45018 -1.02873 1.22674 -0.29333 184 21 H 1S -0.01808 -0.06788 0.00174 0.02128 -0.00972 185 2S -0.47620 -1.08971 0.63464 -0.17329 -0.74400 186 22 H 1S -0.00473 -0.01118 0.03961 0.02678 0.06587 187 2S -0.02506 -0.52553 -0.10298 1.20395 0.08164 188 23 H 1S -0.00472 0.01119 0.03955 -0.02665 0.06595 189 2S -0.02473 0.52561 -0.10505 -1.20351 0.08526 61 62 63 64 65 V V V V V Eigenvalues -- 0.24911 0.30439 0.31363 0.32662 0.37013 1 1 C 1S -0.00707 -0.00782 -0.00107 -0.02273 0.11316 2 2S -0.00514 0.00677 -0.00359 -0.00745 -0.12508 3 2PX -0.02774 0.03854 -0.00301 -0.12825 -0.15942 4 2PY 0.04317 -0.00895 0.00522 0.24083 -0.14948 5 2PZ 0.00625 -0.05662 0.01933 -0.08466 -0.22711 6 3S 0.28480 0.09034 -0.02086 1.25395 -2.60202 7 3PX -0.05065 0.02079 -0.03803 -0.70803 -1.07761 8 3PY 0.29446 -0.17660 0.02090 1.79283 -1.76999 9 3PZ 0.02141 -0.08869 -0.02229 -0.29473 -0.98310 10 4XX 0.00158 0.00079 -0.00318 0.00393 -0.00537 11 4YY -0.00600 -0.00273 0.00030 -0.02512 0.02342 12 4ZZ 0.00244 -0.00104 0.00005 0.00402 -0.01367 13 4XY 0.00177 0.00144 0.00387 0.00482 -0.00227 14 4XZ 0.00086 -0.00204 0.00058 0.01351 0.01115 15 4YZ 0.00089 0.00266 -0.00372 -0.00093 0.00424 16 2 O 1S -0.00214 0.00066 -0.00131 -0.01839 -0.04211 17 2S 0.00236 -0.01330 -0.02278 0.05335 0.03818 18 2PX 0.01728 0.03933 0.03680 -0.18589 -0.17936 19 2PY 0.00801 0.02600 0.03323 -0.08117 0.01777 20 2PZ -0.03257 0.00827 -0.01285 -0.15780 -0.16683 21 3S 0.00745 0.01957 0.09574 0.17061 0.92181 22 3PX -0.01097 0.04494 0.00248 -0.44731 -0.39737 23 3PY -0.01784 0.03114 0.03091 -0.21309 0.29191 24 3PZ -0.04119 0.04894 -0.00682 -0.41045 -0.27634 25 4XX -0.00245 -0.00765 -0.00359 0.00469 -0.02430 26 4YY -0.00397 -0.00386 -0.00885 -0.00901 0.00077 27 4ZZ 0.00188 0.00046 -0.01008 0.00491 -0.01832 28 4XY -0.00587 0.00003 0.00149 -0.02044 0.02166 29 4XZ -0.00772 -0.00505 -0.00142 0.00122 0.01204 30 4YZ -0.00538 -0.00457 -0.00267 -0.01789 0.01720 31 3 C 1S 0.00001 0.00001 0.00678 0.00000 0.00000 32 2S -0.00003 -0.00003 -0.02252 0.00001 -0.00002 33 2PX 0.00005 -0.00001 -0.00888 0.00000 0.00002 34 2PY 0.09127 0.07179 -0.00008 -0.03525 -0.31611 35 2PZ 0.00000 0.00001 0.02875 -0.00001 -0.00002 36 3S -0.00004 -0.00011 -0.05187 -0.00001 0.00004 37 3PX 0.00008 0.00008 0.03586 -0.00001 -0.00001 38 3PY -0.07853 0.09357 -0.00013 -0.95931 0.10075 39 3PZ 0.00001 0.00002 0.05968 -0.00011 0.00003 40 4XX 0.00000 0.00000 -0.00469 0.00000 0.00000 41 4YY 0.00000 0.00000 0.00334 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00191 0.00000 0.00000 43 4XY 0.00726 0.00631 -0.00001 -0.00644 -0.01097 44 4XZ 0.00000 0.00000 0.00287 0.00000 0.00000 45 4YZ 0.00156 0.00332 -0.00001 -0.00987 -0.01510 46 4 C 1S 0.00707 0.00782 -0.00109 0.02272 -0.11316 47 2S 0.00513 -0.00679 -0.00358 0.00748 0.12507 48 2PX 0.02775 -0.03857 -0.00294 0.12825 0.15942 49 2PY 0.04320 -0.00895 -0.00519 0.24083 -0.14950 50 2PZ -0.00628 0.05665 0.01927 0.08473 0.22706 51 3S -0.28476 -0.09037 -0.02075 -1.25394 2.60205 52 3PX 0.05063 -0.02084 -0.03788 0.70807 1.07756 53 3PY 0.29445 -0.17666 -0.02058 1.79278 -1.77021 54 3PZ -0.02140 0.08861 -0.02238 0.29514 0.98269 55 4XX -0.00157 -0.00080 -0.00318 -0.00393 0.00537 56 4YY 0.00600 0.00272 0.00030 0.02512 -0.02342 57 4ZZ -0.00244 0.00104 0.00005 -0.00402 0.01367 58 4XY 0.00176 0.00144 -0.00388 0.00482 -0.00227 59 4XZ -0.00086 0.00203 0.00058 -0.01351 -0.01115 60 4YZ 0.00090 0.00266 0.00371 -0.00093 0.00423 61 5 H 1S 0.00000 0.00002 0.00723 0.00000 -0.00001 62 2S 0.00003 0.00003 -0.06127 0.00002 -0.00004 63 6 H 1S 0.00000 -0.00002 -0.01420 0.00000 0.00000 64 2S -0.00007 0.00002 0.04274 0.00000 -0.00001 65 7 O 1S 0.00214 -0.00067 -0.00131 0.01840 0.04211 66 2S -0.00236 0.01326 -0.02282 -0.05335 -0.03818 67 2PX -0.01727 -0.03927 0.03690 0.18589 0.17937 68 2PY 0.00797 0.02594 -0.03329 -0.08118 0.01773 69 2PZ 0.03256 -0.00829 -0.01283 0.15780 0.16682 70 3S -0.00736 -0.01940 0.09576 -0.17066 -0.92177 71 3PX 0.01098 -0.04494 0.00261 0.44733 0.39736 72 3PY -0.01792 0.03109 -0.03097 -0.21315 0.29186 73 3PZ 0.04119 -0.04893 -0.00670 0.41042 0.27639 74 4XX 0.00244 0.00765 -0.00360 -0.00468 0.02430 75 4YY 0.00397 0.00385 -0.00886 0.00902 -0.00078 76 4ZZ -0.00188 -0.00048 -0.01008 -0.00492 0.01833 77 4XY -0.00587 0.00003 -0.00149 -0.02044 0.02167 78 4XZ 0.00771 0.00505 -0.00143 -0.00122 -0.01204 79 4YZ -0.00537 -0.00456 0.00267 -0.01789 0.01720 80 8 H 1S -0.00774 0.01323 -0.01279 -0.02443 -0.06637 81 2S -0.09428 0.28189 0.02651 -0.34195 0.96141 82 9 H 1S 0.00773 -0.01324 -0.01277 0.02444 0.06639 83 2S 0.09415 -0.28181 0.02689 0.34196 -0.96150 84 10 C 1S 0.00770 0.04913 -0.06119 -0.00226 0.00128 85 2S -0.01975 -0.05117 0.03529 -0.00790 -0.02212 86 2PX -0.06485 -0.02931 0.10793 -0.06932 -0.02060 87 2PY -0.01794 -0.19980 -0.04474 0.03378 0.03085 88 2PZ -0.15611 0.04049 0.10433 0.05971 -0.00493 89 3S -0.14007 -1.39625 1.97823 -0.08240 0.13811 90 3PX -0.36008 0.00207 0.90310 -0.13324 -0.04292 91 3PY -0.17680 -1.37890 -0.73115 -0.09859 0.22946 92 3PZ -0.57664 0.29873 0.78970 -0.00013 0.03204 93 4XX -0.00610 -0.00239 -0.01764 0.01091 0.00253 94 4YY 0.00104 0.02470 0.00740 -0.01043 -0.00338 95 4ZZ 0.00482 -0.01758 -0.00115 -0.00623 -0.00019 96 4XY 0.00240 -0.00351 0.02270 0.00382 -0.00020 97 4XZ -0.00234 -0.01441 -0.01143 -0.00795 -0.00113 98 4YZ 0.00641 0.00073 0.02428 -0.00019 0.00158 99 11 C 1S -0.00768 -0.04923 -0.06112 0.00227 -0.00127 100 2S 0.01973 0.05124 0.03523 0.00790 0.02213 101 2PX 0.06482 0.02945 0.10792 0.06932 0.02059 102 2PY -0.01806 -0.19973 0.04502 0.03377 0.03084 103 2PZ 0.15616 -0.04034 0.10445 -0.05971 0.00494 104 3S 0.13940 1.39910 1.97658 0.08213 -0.13833 105 3PX 0.35999 -0.00096 0.90354 0.13314 0.04289 106 3PY -0.17732 -1.37781 0.73302 -0.09873 0.22936 107 3PZ 0.57678 -0.29777 0.79059 0.00002 -0.03208 108 4XX 0.00610 0.00236 -0.01765 -0.01091 -0.00253 109 4YY -0.00103 -0.02469 0.00745 0.01043 0.00338 110 4ZZ -0.00483 0.01758 -0.00118 0.00623 0.00019 111 4XY 0.00241 -0.00355 -0.02268 0.00382 -0.00019 112 4XZ 0.00233 0.01439 -0.01146 0.00795 0.00113 113 4YZ 0.00641 0.00069 -0.02428 -0.00019 0.00158 114 12 C 1S 0.00503 -0.05454 0.04997 -0.01183 -0.00112 115 2S 0.01908 0.06378 -0.05075 0.01458 -0.03163 116 2PX 0.03119 -0.03920 0.16621 -0.08600 -0.01372 117 2PY -0.04676 -0.04797 0.13033 0.02967 0.00220 118 2PZ -0.03018 0.15542 0.17495 0.02968 0.00022 119 3S -0.41628 1.37333 -1.44344 0.20230 0.12335 120 3PX 0.26603 -0.06150 1.07020 0.07205 0.13152 121 3PY -0.13571 -0.13805 0.85989 0.07395 -0.14657 122 3PZ 0.13918 0.67867 1.01315 0.10925 0.14430 123 4XX 0.00287 -0.00927 0.01016 0.00493 0.00618 124 4YY -0.00720 0.02212 -0.00265 -0.00404 -0.00162 125 4ZZ 0.00576 -0.01851 -0.00221 -0.00470 -0.00847 126 4XY 0.01179 0.01094 0.01299 0.00593 -0.00777 127 4XZ 0.00619 -0.01088 0.00237 0.00062 0.00587 128 4YZ 0.01996 0.01502 0.01317 -0.00466 0.00688 129 13 C 1S 0.04245 0.02517 0.01174 0.00098 0.00753 130 2S -0.04860 -0.02438 -0.00762 -0.00883 0.00490 131 2PX 0.03235 0.14629 0.02902 -0.00402 -0.01001 132 2PY 0.32592 -0.14220 -0.07088 -0.06989 0.01890 133 2PZ 0.12548 0.20180 0.02871 0.00683 0.05848 134 3S -0.69507 -0.42774 -0.49245 -0.01364 -0.20468 135 3PX 0.14518 0.58971 -0.15307 -0.00257 -0.00978 136 3PY 1.37301 -0.47734 -0.29424 -0.28808 0.14405 137 3PZ 0.45297 0.90094 0.04775 0.03158 0.24742 138 4XX -0.01494 0.00163 -0.00573 0.00480 0.00054 139 4YY 0.02627 -0.00809 0.01242 -0.00498 0.00126 140 4ZZ -0.00596 0.01032 -0.00592 -0.00218 0.00275 141 4XY 0.00264 0.00241 0.00662 0.00051 -0.00135 142 4XZ -0.00094 0.01343 -0.00628 0.00208 -0.01221 143 4YZ 0.00510 0.00510 -0.02348 -0.00169 0.00199 144 14 C 1S -0.04248 -0.02515 0.01176 -0.00099 -0.00754 145 2S 0.04862 0.02439 -0.00763 0.00884 -0.00491 146 2PX -0.03246 -0.14627 0.02931 0.00403 0.00997 147 2PY 0.32590 -0.14204 0.07117 -0.06991 0.01891 148 2PZ -0.12548 -0.20178 0.02894 -0.00687 -0.05845 149 3S 0.69595 0.42687 -0.49294 0.01373 0.20485 150 3PX -0.14565 -0.59001 -0.15182 0.00262 0.00970 151 3PY 1.37283 -0.47669 0.29524 -0.28810 0.14403 152 3PZ -0.45327 -0.90089 0.04895 -0.03168 -0.24750 153 4XX 0.01495 -0.00165 -0.00572 -0.00479 -0.00053 154 4YY -0.02628 0.00811 0.01239 0.00497 -0.00126 155 4ZZ 0.00595 -0.01032 -0.00589 0.00218 -0.00275 156 4XY 0.00264 0.00239 -0.00662 0.00051 -0.00136 157 4XZ 0.00093 -0.01344 -0.00626 -0.00208 0.01220 158 4YZ 0.00507 0.00514 0.02348 -0.00169 0.00198 159 15 C 1S -0.00501 0.05461 0.04989 0.01183 0.00112 160 2S -0.01911 -0.06386 -0.05067 -0.01457 0.03162 161 2PX -0.03122 0.03938 0.16614 0.08598 0.01369 162 2PY -0.04685 -0.04815 -0.13032 0.02965 0.00221 163 2PZ 0.02997 -0.15515 0.17513 -0.02968 -0.00026 164 3S 0.41595 -1.37544 -1.44094 -0.20211 -0.12332 165 3PX -0.26633 0.06293 1.06963 -0.07223 -0.13171 166 3PY -0.13609 -0.13920 -0.85990 0.07405 -0.14652 167 3PZ -0.14012 -0.67715 1.01376 -0.10940 -0.14450 168 4XX -0.00287 0.00930 0.01013 -0.00492 -0.00617 169 4YY 0.00719 -0.02213 -0.00261 0.00404 0.00162 170 4ZZ -0.00575 0.01851 -0.00224 0.00470 0.00847 171 4XY 0.01180 0.01092 -0.01300 0.00593 -0.00776 172 4XZ -0.00620 0.01089 0.00235 -0.00061 -0.00587 173 4YZ 0.01997 0.01499 -0.01318 -0.00466 0.00688 174 16 H 1S -0.00072 -0.06441 0.08436 -0.04222 -0.00086 175 2S -0.70151 -0.13179 0.19512 -0.06215 0.05948 176 17 H 1S 0.00068 0.06453 0.08426 0.04222 0.00085 177 2S 0.70193 0.13213 0.19509 0.06215 -0.05947 178 18 H 1S -0.04858 0.09261 -0.02691 -0.01843 0.00913 179 2S 0.14673 -0.07504 -0.43576 -0.18362 0.11049 180 19 H 1S -0.05915 0.00897 -0.03398 0.01519 -0.03027 181 2S -0.65900 -0.47083 0.15212 0.11690 -0.11292 182 20 H 1S 0.05923 -0.00899 -0.03392 -0.01518 0.03026 183 2S 0.65913 0.47100 0.15127 -0.11693 0.11298 184 21 H 1S 0.04858 -0.09266 -0.02675 0.01844 -0.00914 185 2S -0.14713 0.07440 -0.43584 0.18356 -0.11044 186 22 H 1S -0.03643 -0.01804 -0.04192 0.00550 0.02145 187 2S -0.53276 0.09857 0.07658 0.09634 -0.19825 188 23 H 1S 0.03646 0.01794 -0.04196 -0.00549 -0.02144 189 2S 0.53278 -0.09828 0.07721 -0.09633 0.19822 66 67 68 69 70 V V V V V Eigenvalues -- 0.43216 0.47398 0.47797 0.49140 0.50831 1 1 C 1S 0.00851 -0.00400 -0.00859 0.00102 -0.02782 2 2S -0.00017 -0.21671 0.06389 -0.08099 -0.01554 3 2PX -0.01225 0.05409 0.10248 -0.19450 0.16425 4 2PY -0.01547 -0.31642 -0.06922 0.02030 -0.20525 5 2PZ 0.02132 0.10369 0.11308 0.10942 0.29638 6 3S -0.24236 0.06164 -0.06720 0.02906 0.07280 7 3PX 0.06020 -0.04783 0.10806 0.22600 -0.16296 8 3PY -0.09747 0.42488 -0.15123 0.02399 0.19045 9 3PZ -0.03028 -0.22581 0.09994 -0.13171 -0.32412 10 4XX -0.00106 0.00758 0.00259 -0.00457 0.00939 11 4YY 0.00314 -0.07465 0.00914 -0.00699 -0.01798 12 4ZZ -0.00220 0.02589 -0.00885 -0.00177 -0.03215 13 4XY -0.00292 -0.00272 -0.00245 -0.01435 0.02750 14 4XZ -0.00121 -0.02772 -0.00467 -0.00534 -0.02621 15 4YZ -0.00143 -0.00265 0.00129 -0.02036 -0.00775 16 2 O 1S -0.00186 0.01082 0.00847 -0.00175 0.01451 17 2S 0.02441 0.05184 0.01333 -0.03065 -0.13483 18 2PX -0.04318 0.06608 0.01170 -0.02350 -0.00452 19 2PY -0.02800 0.08557 -0.04260 0.07267 -0.11358 20 2PZ 0.01782 0.04867 0.07963 0.00508 0.13817 21 3S 0.02137 -0.49436 -0.13166 0.07023 0.26425 22 3PX 0.00348 -0.04409 0.11392 -0.07299 -0.06761 23 3PY 0.01734 -0.33907 0.01493 -0.01391 0.01210 24 3PZ 0.00912 -0.00434 0.06747 0.07317 0.03810 25 4XX 0.00513 0.05360 0.01299 -0.00815 -0.01023 26 4YY 0.01150 -0.05524 0.01121 -0.01384 -0.02059 27 4ZZ 0.00653 0.04800 0.01694 -0.02073 -0.02285 28 4XY 0.00422 -0.02185 -0.00793 0.01261 -0.00404 29 4XZ 0.00977 -0.01918 0.01775 -0.01580 0.03916 30 4YZ 0.00900 -0.02335 0.00251 0.00084 -0.00754 31 3 C 1S 0.00000 0.01004 -0.00001 0.00756 -0.01609 32 2S 0.00000 -0.36575 0.00043 -0.00672 0.09798 33 2PX 0.00003 0.37669 -0.00045 -0.13865 -0.29040 34 2PY -0.10843 -0.00004 0.00495 -0.00003 0.00002 35 2PZ 0.00002 0.31869 -0.00041 0.05629 0.03593 36 3S 0.00006 0.91963 -0.00112 -0.07167 -0.12254 37 3PX -0.00011 -0.79800 0.00100 0.39770 0.43642 38 3PY 0.12640 0.00022 0.10561 0.00001 0.00002 39 3PZ 0.00005 -0.71022 0.00096 -0.12294 -0.34431 40 4XX 0.00000 -0.01089 0.00001 -0.02611 -0.03732 41 4YY 0.00001 0.03632 -0.00004 0.00514 0.00492 42 4ZZ -0.00001 -0.01434 0.00002 0.02865 0.01858 43 4XY -0.00484 -0.00001 -0.00375 0.00000 0.00000 44 4XZ 0.00000 -0.01529 0.00002 0.01364 -0.00821 45 4YZ -0.00822 -0.00001 -0.00878 0.00000 0.00000 46 4 C 1S -0.00852 -0.00397 0.00860 0.00102 -0.02783 47 2S 0.00024 -0.21687 -0.06339 -0.08095 -0.01547 48 2PX 0.01232 0.05379 -0.10273 -0.19444 0.16425 49 2PY -0.01551 0.31625 -0.06996 -0.02024 0.20518 50 2PZ -0.02133 0.10343 -0.11337 0.10949 0.29647 51 3S 0.24237 0.06156 0.06697 0.02888 0.07294 52 3PX -0.06032 -0.04812 -0.10784 0.22598 -0.16292 53 3PY -0.09739 -0.42506 -0.15027 -0.02388 -0.19062 54 3PZ 0.03028 -0.22617 -0.09943 -0.13180 -0.32428 55 4XX 0.00107 0.00757 -0.00262 -0.00457 0.00940 56 4YY -0.00313 -0.07467 -0.00897 -0.00698 -0.01798 57 4ZZ 0.00219 0.02592 0.00880 -0.00177 -0.03214 58 4XY -0.00293 0.00272 -0.00244 0.01435 -0.02750 59 4XZ 0.00122 -0.02770 0.00473 -0.00534 -0.02621 60 4YZ -0.00144 0.00263 0.00128 0.02036 0.00775 61 5 H 1S -0.00003 0.03704 -0.00005 0.07919 0.08961 62 2S -0.00009 0.00411 -0.00002 0.07707 0.24456 63 6 H 1S 0.00002 0.05631 -0.00009 -0.11198 -0.15010 64 2S 0.00004 0.05050 -0.00006 -0.09424 -0.07489 65 7 O 1S 0.00186 0.01079 -0.00850 -0.00174 0.01452 66 2S -0.02440 0.05182 -0.01347 -0.03067 -0.13483 67 2PX 0.04321 0.06605 -0.01183 -0.02347 -0.00452 68 2PY -0.02800 -0.08570 -0.04244 -0.07266 0.11358 69 2PZ -0.01783 0.04842 -0.07981 0.00510 0.13821 70 3S -0.02139 -0.49399 0.13294 0.07027 0.26429 71 3PX -0.00344 -0.04441 -0.11385 -0.07297 -0.06762 72 3PY 0.01734 0.33908 0.01412 0.01387 -0.01208 73 3PZ -0.00915 -0.00445 -0.06745 0.07319 0.03809 74 4XX -0.00512 0.05356 -0.01312 -0.00814 -0.01022 75 4YY -0.01150 -0.05527 -0.01109 -0.01384 -0.02059 76 4ZZ -0.00653 0.04797 -0.01707 -0.02073 -0.02284 77 4XY 0.00423 0.02183 -0.00799 -0.01260 0.00404 78 4XZ -0.00976 -0.01923 -0.01772 -0.01579 0.03917 79 4YZ 0.00900 0.02333 0.00245 -0.00084 0.00754 80 8 H 1S -0.00191 -0.07817 0.02205 -0.08483 -0.19784 81 2S -0.07238 -0.02451 -0.02992 0.08759 -0.04187 82 9 H 1S 0.00192 -0.07825 -0.02184 -0.08483 -0.19783 83 2S 0.07233 -0.02436 0.03006 0.08764 -0.04189 84 10 C 1S 0.09297 -0.00197 0.03358 -0.00378 -0.00423 85 2S -0.03030 -0.05808 -0.01621 0.06498 -0.33230 86 2PX -0.04082 -0.09852 -0.16351 0.12710 -0.08382 87 2PY -0.15076 -0.04954 0.22077 -0.24797 -0.03590 88 2PZ -0.11611 0.12603 -0.11102 0.13660 -0.06443 89 3S -3.56240 0.18931 -1.45100 -0.00090 0.36857 90 3PX -1.02322 0.08137 -1.81208 -0.14132 0.06470 91 3PY -2.25600 -0.03103 1.70992 0.36860 0.01944 92 3PZ -1.26272 -0.11964 -1.45089 -0.15593 0.07924 93 4XX -0.00255 0.00698 0.01395 0.01030 -0.00993 94 4YY 0.00685 -0.00885 -0.02035 -0.02337 -0.04663 95 4ZZ -0.00741 -0.00206 -0.00209 0.01747 -0.01514 96 4XY 0.00893 0.00697 0.00314 -0.01910 0.00375 97 4XZ -0.00498 -0.00169 0.00252 0.01944 -0.03192 98 4YZ 0.00824 0.00592 0.00459 -0.01976 0.00080 99 11 C 1S -0.09297 -0.00204 -0.03357 -0.00378 -0.00425 100 2S 0.03023 -0.05807 0.01641 0.06497 -0.33228 101 2PX 0.04081 -0.09812 0.16387 0.12707 -0.08378 102 2PY -0.15075 0.05004 0.22076 0.24781 0.03598 103 2PZ 0.11604 0.12625 0.11081 0.13662 -0.06435 104 3S 3.56255 0.19247 1.45028 -0.00112 0.36935 105 3PX 1.02284 0.08548 1.81197 -0.14203 0.06533 106 3PY -2.25640 0.03511 1.70894 -0.36949 -0.01910 107 3PZ 1.26244 -0.11634 1.45124 -0.15645 0.07980 108 4XX 0.00255 0.00695 -0.01396 0.01031 -0.00994 109 4YY -0.00687 -0.00880 0.02035 -0.02339 -0.04662 110 4ZZ 0.00742 -0.00205 0.00212 0.01747 -0.01513 111 4XY 0.00892 -0.00696 0.00318 0.01909 -0.00376 112 4XZ 0.00498 -0.00170 -0.00249 0.01944 -0.03193 113 4YZ 0.00823 -0.00591 0.00462 0.01975 -0.00080 114 12 C 1S 0.08006 0.00726 0.04115 -0.00014 -0.00065 115 2S -0.05678 -0.09496 0.01190 0.02358 -0.13251 116 2PX -0.11019 -0.04985 0.05354 -0.24901 0.09738 117 2PY 0.12926 0.06164 0.05960 0.00812 0.00592 118 2PZ -0.14485 -0.02259 0.19036 -0.19376 0.07373 119 3S -2.35130 0.00594 -2.13741 0.15018 -0.00523 120 3PX 0.28445 0.04160 1.64583 0.47723 -0.05933 121 3PY 1.87575 -0.04005 0.91894 0.00692 0.10356 122 3PZ -0.57147 0.19679 1.79556 0.34701 -0.17691 123 4XX 0.00039 -0.00233 0.02197 0.01143 -0.00868 124 4YY 0.00201 0.01229 -0.00827 -0.00916 -0.00644 125 4ZZ -0.00842 -0.02266 -0.01410 -0.01042 -0.00569 126 4XY 0.01700 -0.01242 0.00696 0.02815 -0.01018 127 4XZ -0.01030 -0.00884 0.01371 0.01366 -0.02765 128 4YZ 0.00523 0.01338 0.01281 0.02801 -0.00001 129 13 C 1S -0.05781 -0.00521 -0.00860 0.00041 0.00109 130 2S -0.02160 -0.06905 0.00017 0.06023 0.00095 131 2PX 0.01441 -0.16203 0.01056 0.07792 0.21392 132 2PY 0.02801 0.05277 -0.18925 -0.29522 -0.02152 133 2PZ -0.08586 0.16472 0.15345 0.04025 -0.00802 134 3S 1.82654 0.05264 0.03545 -0.21154 0.08736 135 3PX -0.50890 0.23937 -0.06470 -0.13895 -0.28046 136 3PY -0.40589 -0.05187 -1.14335 0.30685 0.05941 137 3PZ -1.62436 -0.14242 0.40057 -0.03686 -0.01694 138 4XX 0.01908 -0.00219 -0.00424 -0.01283 0.00773 139 4YY 0.00214 -0.01656 -0.00719 0.06121 0.00629 140 4ZZ -0.02746 -0.00826 0.01039 -0.03538 -0.00313 141 4XY 0.00207 -0.02134 0.00251 0.01223 0.02779 142 4XZ -0.01028 -0.02767 -0.02005 -0.00820 0.04330 143 4YZ -0.00175 0.01508 -0.00797 0.01224 -0.00196 144 14 C 1S 0.05782 -0.00518 0.00861 0.00041 0.00109 145 2S 0.02157 -0.06909 -0.00001 0.06026 0.00093 146 2PX -0.01436 -0.16201 -0.01015 0.07792 0.21393 147 2PY 0.02794 -0.05332 -0.18909 0.29535 0.02152 148 2PZ 0.08589 0.16435 -0.15377 0.04044 -0.00801 149 3S -1.82650 0.05279 -0.03549 -0.21178 0.08715 150 3PX 0.50924 0.23947 0.06401 -0.13882 -0.28029 151 3PY -0.40620 0.04925 -1.14343 -0.30637 -0.05983 152 3PZ 1.62420 -0.14352 -0.40060 -0.03655 -0.01695 153 4XX -0.01906 -0.00220 0.00426 -0.01283 0.00775 154 4YY -0.00216 -0.01653 0.00723 0.06120 0.00628 155 4ZZ 0.02745 -0.00827 -0.01039 -0.03537 -0.00315 156 4XY 0.00209 0.02135 0.00243 -0.01224 -0.02780 157 4XZ 0.01030 -0.02762 0.02009 -0.00822 0.04328 158 4YZ -0.00175 -0.01511 -0.00792 -0.01221 0.00196 159 15 C 1S -0.08006 0.00718 -0.04117 -0.00013 -0.00067 160 2S 0.05681 -0.09492 -0.01160 0.02363 -0.13255 161 2PX 0.11028 -0.04995 -0.05364 -0.24899 0.09735 162 2PY 0.12926 -0.06148 0.05984 -0.00805 -0.00595 163 2PZ 0.14489 -0.02298 -0.19040 -0.19364 0.07362 164 3S 2.35118 0.01057 2.13755 0.14954 -0.00428 165 3PX -0.28404 0.03779 -1.64573 0.47784 -0.05997 166 3PY 1.87562 0.04197 0.91941 -0.00720 -0.10300 167 3PZ 0.57180 0.19249 -1.79572 0.34789 -0.17731 168 4XX -0.00039 -0.00237 -0.02195 0.01143 -0.00869 169 4YY -0.00202 0.01231 0.00824 -0.00913 -0.00645 170 4ZZ 0.00843 -0.02262 0.01415 -0.01044 -0.00570 171 4XY 0.01698 0.01243 0.00692 -0.02816 0.01019 172 4XZ 0.01030 -0.00887 -0.01366 0.01365 -0.02766 173 4YZ 0.00523 -0.01335 0.01283 -0.02802 0.00001 174 16 H 1S 0.04078 0.00365 0.03607 -0.01153 -0.07764 175 2S -1.03642 -0.07885 -0.42437 0.04208 -0.04273 176 17 H 1S -0.04078 0.00357 -0.03609 -0.01154 -0.07768 177 2S 1.03638 -0.07792 0.42456 0.04202 -0.04252 178 18 H 1S 0.08373 0.07548 -0.03354 -0.01004 -0.02088 179 2S -0.74067 0.00014 -0.21712 -0.02505 -0.07781 180 19 H 1S 0.05306 -0.08398 -0.07731 -0.02361 0.14629 181 2S 0.17288 -0.08879 0.11373 0.07986 0.02163 182 20 H 1S -0.05312 -0.08382 0.07753 -0.02365 0.14626 183 2S -0.17284 -0.08909 -0.11357 0.07985 0.02160 184 21 H 1S -0.08373 0.07556 0.03340 -0.01004 -0.02090 185 2S 0.74068 0.00059 0.21713 -0.02503 -0.07768 186 22 H 1S 0.05926 0.13991 0.06603 -0.02978 -0.17010 187 2S 0.28285 -0.06704 -0.03720 0.04891 0.06075 188 23 H 1S -0.05920 0.13975 -0.06632 -0.02976 -0.17007 189 2S -0.28294 -0.06693 0.03731 0.04887 0.06074 71 72 73 74 75 V V V V V Eigenvalues -- 0.52317 0.54653 0.54787 0.54867 0.56891 1 1 C 1S -0.00944 -0.04596 -0.00662 -0.02134 -0.01979 2 2S 0.01703 0.04473 -0.16622 0.00677 0.08443 3 2PX 0.33503 -0.14705 -0.29047 0.00080 0.43671 4 2PY -0.06248 0.18031 -0.13148 -0.18638 -0.07032 5 2PZ -0.13090 0.03242 0.02827 0.07929 0.05737 6 3S -0.14338 1.08415 0.00931 -0.13907 0.12643 7 3PX -0.40205 0.68382 0.54139 0.14287 -0.89768 8 3PY 0.19267 0.72390 0.38060 0.35602 0.13512 9 3PZ 0.17633 0.27187 0.15256 -0.03086 -0.07747 10 4XX -0.02496 0.00943 -0.00438 0.00147 -0.01654 11 4YY 0.00106 -0.02167 -0.03088 -0.00934 0.00730 12 4ZZ 0.00253 0.00995 0.01538 -0.00804 -0.02195 13 4XY 0.02332 -0.01323 -0.04772 -0.00792 -0.00657 14 4XZ -0.01118 -0.01142 -0.01524 -0.02019 -0.02836 15 4YZ 0.02613 -0.01531 -0.00189 -0.00883 0.00052 16 2 O 1S -0.00214 0.00737 0.00120 0.00435 0.00343 17 2S -0.13985 -0.09612 -0.01288 -0.15657 -0.07789 18 2PX 0.10180 -0.02719 -0.07684 0.02805 0.10067 19 2PY -0.15664 -0.21093 -0.03981 -0.11668 -0.14942 20 2PZ -0.08793 -0.05689 -0.03776 -0.04657 0.04618 21 3S 0.61704 0.27725 0.08005 0.56882 0.54596 22 3PX 0.00952 0.21851 0.05035 -0.00992 0.04150 23 3PY 0.19742 0.01600 0.02195 0.15444 0.09894 24 3PZ -0.12203 0.25864 0.06410 0.01263 -0.02102 25 4XX -0.04010 -0.02056 -0.01284 -0.03974 0.00339 26 4YY 0.00212 0.00015 0.02099 -0.00639 -0.01381 27 4ZZ -0.04400 -0.01477 -0.01036 -0.04212 0.00358 28 4XY -0.00353 0.05390 0.01833 0.01256 0.00366 29 4XZ 0.03596 0.01610 -0.01297 0.02835 0.05646 30 4YZ 0.00380 0.05929 0.02262 0.01784 -0.00425 31 3 C 1S -0.01514 0.00001 -0.00361 -0.02239 0.00000 32 2S 0.14613 -0.00017 0.13355 0.25158 0.00004 33 2PX -0.06753 0.00020 -0.17561 -0.28129 -0.00009 34 2PY -0.00002 -0.85347 -0.00057 -0.00014 -0.25767 35 2PZ -0.45844 0.00018 -0.22622 -0.30836 -0.00014 36 3S -0.30173 0.00028 -0.23254 -0.34915 -0.00008 37 3PX 0.11476 -0.00061 0.63363 0.66105 0.00034 38 3PY 0.00001 1.46683 0.00096 0.00021 0.53816 39 3PZ 0.94775 -0.00064 0.72798 0.94667 0.00048 40 4XX 0.02772 -0.00001 0.00797 0.01271 0.00000 41 4YY -0.03416 0.00004 -0.02556 -0.01962 0.00000 42 4ZZ -0.03183 -0.00001 0.00557 -0.02083 -0.00001 43 4XY 0.00000 -0.04312 -0.00003 -0.00001 -0.03034 44 4XZ 0.00053 -0.00003 0.03057 0.01648 0.00002 45 4YZ 0.00000 -0.05049 -0.00004 -0.00001 -0.02434 46 4 C 1S -0.00943 0.04597 -0.00656 -0.02133 0.01978 47 2S 0.01697 -0.04453 -0.16613 0.00673 -0.08470 48 2PX 0.33504 0.14740 -0.29025 0.00106 -0.43679 49 2PY 0.06253 0.18004 0.13174 0.18648 -0.07031 50 2PZ -0.13090 -0.03243 0.02833 0.07927 -0.05747 51 3S -0.14349 -1.08401 0.00742 -0.13930 -0.12596 52 3PX -0.40218 -0.68456 0.54039 0.14218 0.89798 53 3PY -0.19249 0.72469 -0.37958 -0.35586 0.13517 54 3PZ 0.17638 -0.27194 0.15187 -0.03088 0.07757 55 4XX -0.02496 -0.00941 -0.00439 0.00145 0.01655 56 4YY 0.00108 0.02172 -0.03085 -0.00933 -0.00732 57 4ZZ 0.00252 -0.00998 0.01537 -0.00805 0.02192 58 4XY -0.02332 -0.01329 0.04770 0.00792 -0.00655 59 4XZ -0.01118 0.01145 -0.01522 -0.02018 0.02833 60 4YZ -0.02614 -0.01530 0.00186 0.00882 0.00057 61 5 H 1S -0.16535 0.00015 -0.13051 -0.22997 -0.00011 62 2S -0.22762 0.00022 -0.20045 -0.31348 -0.00015 63 6 H 1S 0.06056 0.00007 -0.09366 -0.06893 -0.00006 64 2S 0.03876 0.00016 -0.19595 -0.13673 -0.00009 65 7 O 1S -0.00214 -0.00737 0.00119 0.00434 -0.00342 66 2S -0.13983 0.09622 -0.01274 -0.15654 0.07777 67 2PX 0.10179 0.02728 -0.07680 0.02808 -0.10069 68 2PY 0.15662 -0.21110 0.03956 0.11663 -0.14949 69 2PZ -0.08791 0.05693 -0.03764 -0.04650 -0.04628 70 3S 0.61693 -0.27774 0.07977 0.56878 -0.54572 71 3PX 0.00952 -0.21857 0.05000 -0.00999 -0.04143 72 3PY -0.19740 0.01618 -0.02197 -0.15444 0.09885 73 3PZ -0.12211 -0.25870 0.06370 0.01244 0.02113 74 4XX -0.04010 0.02060 -0.01279 -0.03973 -0.00344 75 4YY 0.00213 -0.00021 0.02100 -0.00638 0.01380 76 4ZZ -0.04400 0.01484 -0.01035 -0.04211 -0.00361 77 4XY 0.00353 0.05394 -0.01824 -0.01255 0.00364 78 4XZ 0.03595 -0.01609 -0.01299 0.02836 -0.05647 79 4YZ -0.00378 0.05933 -0.02252 -0.01779 -0.00426 80 8 H 1S 0.09125 0.08755 0.00259 -0.12369 0.04076 81 2S 0.08665 -0.39166 0.31227 0.18579 0.03409 82 9 H 1S 0.09121 -0.08754 0.00248 -0.12374 -0.04105 83 2S 0.08670 0.39116 0.31289 0.18592 -0.03402 84 10 C 1S -0.00607 -0.00087 0.00970 -0.00159 -0.04594 85 2S -0.17988 0.02053 0.09699 0.19012 -0.09136 86 2PX 0.01261 -0.01972 0.01784 -0.19936 0.01960 87 2PY -0.18851 -0.05076 -0.00128 0.09626 0.23853 88 2PZ 0.04502 0.03796 -0.16575 0.26813 -0.07345 89 3S 0.37974 0.05710 -0.15449 -0.27921 0.97578 90 3PX 0.09703 0.01572 -0.00239 0.05806 0.66298 91 3PY 0.22953 0.14584 -0.03775 -0.19670 -0.32672 92 3PZ -0.04067 0.00548 0.14536 -0.27141 0.61394 93 4XX 0.01531 -0.00514 -0.00695 0.00155 0.01361 94 4YY -0.04916 0.01489 0.01348 0.04500 -0.06036 95 4ZZ 0.00329 -0.00253 0.02890 -0.01504 -0.00265 96 4XY 0.00936 -0.00419 0.03013 -0.01828 0.00513 97 4XZ -0.00370 0.00462 0.04124 -0.00954 -0.03635 98 4YZ 0.00032 -0.00403 0.03193 0.00180 0.00600 99 11 C 1S -0.00605 0.00086 0.00970 -0.00162 0.04595 100 2S -0.17989 -0.02076 0.09698 0.19005 0.09133 101 2PX 0.01263 0.01980 0.01781 -0.19930 -0.01984 102 2PY 0.18846 -0.05073 0.00124 -0.09639 0.23832 103 2PZ 0.04499 -0.03790 -0.16575 0.26803 0.07357 104 3S 0.37912 -0.05675 -0.15442 -0.27847 -0.97573 105 3PX 0.09651 -0.01575 -0.00245 0.05852 -0.66278 106 3PY -0.22967 0.14572 0.03755 0.19695 -0.32631 107 3PZ -0.04115 -0.00549 0.14535 -0.27089 -0.61406 108 4XX 0.01531 0.00514 -0.00696 0.00157 -0.01362 109 4YY -0.04916 -0.01493 0.01348 0.04496 0.06038 110 4ZZ 0.00329 0.00250 0.02890 -0.01504 0.00265 111 4XY -0.00937 -0.00416 -0.03014 0.01829 0.00517 112 4XZ -0.00370 -0.00468 0.04122 -0.00956 0.03635 113 4YZ -0.00033 -0.00399 -0.03194 -0.00179 0.00603 114 12 C 1S 0.00899 -0.00573 -0.00060 0.00296 -0.01426 115 2S -0.00218 0.04224 -0.05167 -0.00460 0.08406 116 2PX 0.10642 0.08843 -0.06897 -0.10151 -0.31263 117 2PY -0.03800 -0.07529 0.15435 0.08891 0.03787 118 2PZ -0.12388 0.08035 -0.04271 0.04515 -0.10963 119 3S -0.34132 -0.12872 0.16723 0.27579 1.12944 120 3PX -0.14073 -0.16526 0.18584 0.04862 0.09997 121 3PY 0.32841 0.13227 -0.27341 -0.41116 -0.75557 122 3PZ 0.35712 0.01520 0.02008 -0.03800 -0.21579 123 4XX 0.01346 0.00387 -0.02920 0.00061 -0.00194 124 4YY 0.01941 -0.00489 0.05566 -0.00782 0.01821 125 4ZZ -0.02599 0.00242 -0.03663 0.01725 0.00643 126 4XY 0.00180 0.00196 0.00009 -0.01284 0.00476 127 4XZ -0.01481 -0.00896 -0.00276 0.02601 0.04070 128 4YZ 0.03559 0.01210 -0.01246 -0.01926 -0.02385 129 13 C 1S 0.00316 0.00388 0.00068 0.00096 -0.00265 130 2S -0.11649 -0.04275 -0.06195 0.09973 0.11665 131 2PX 0.01440 0.10524 0.06455 -0.23192 -0.04358 132 2PY -0.07441 0.07381 0.19304 -0.06789 0.05798 133 2PZ 0.27281 0.11205 0.09849 -0.27079 -0.16934 134 3S 0.15262 0.28515 -0.17562 -0.21717 -0.56034 135 3PX 0.00057 0.04621 -0.11792 0.26093 0.31132 136 3PY 0.04467 -0.15969 -0.25165 0.11981 0.31016 137 3PZ -0.32962 -0.08427 -0.05971 0.35086 0.42702 138 4XX 0.00287 -0.00995 0.02645 -0.03045 -0.00338 139 4YY -0.00477 0.00937 -0.04678 0.02866 0.00367 140 4ZZ -0.01540 0.00898 -0.00718 0.01714 -0.00003 141 4XY -0.00626 -0.00236 0.02247 -0.01527 -0.00002 142 4XZ -0.02149 0.00650 0.00210 -0.01425 -0.01262 143 4YZ 0.00579 -0.00422 0.03312 0.01483 0.00832 144 14 C 1S 0.00315 -0.00388 0.00067 0.00096 0.00265 145 2S -0.11648 0.04279 -0.06192 0.09978 -0.11671 146 2PX 0.01448 -0.10523 0.06443 -0.23220 0.04360 147 2PY 0.07437 0.07400 -0.19290 0.06789 0.05802 148 2PZ 0.27272 -0.11205 0.09843 -0.27082 0.16947 149 3S 0.15266 -0.28487 -0.17606 -0.21755 0.56047 150 3PX 0.00037 -0.04621 -0.11797 0.26128 -0.31148 151 3PY -0.04439 -0.15989 0.25149 -0.12013 0.31018 152 3PZ -0.32955 0.08420 -0.05957 0.35105 -0.42710 153 4XX 0.00286 0.00994 0.02646 -0.03046 0.00338 154 4YY -0.00476 -0.00933 -0.04679 0.02868 -0.00367 155 4ZZ -0.01540 -0.00897 -0.00720 0.01714 0.00004 156 4XY 0.00627 -0.00235 -0.02247 0.01527 0.00000 157 4XZ -0.02150 -0.00649 0.00205 -0.01421 0.01261 158 4YZ -0.00579 -0.00416 -0.03313 -0.01484 0.00835 159 15 C 1S 0.00901 0.00573 -0.00059 0.00294 0.01424 160 2S -0.00224 -0.04215 -0.05168 -0.00448 -0.08411 161 2PX 0.10641 -0.08833 -0.06901 -0.10176 0.31251 162 2PY 0.03795 -0.07499 -0.15440 -0.08894 0.03793 163 2PZ -0.12385 -0.08026 -0.04287 0.04518 0.10971 164 3S -0.34180 0.12836 0.16723 0.27650 -1.12942 165 3PX -0.14029 0.16505 0.18606 0.04868 -0.10007 166 3PY -0.32874 0.13167 0.27356 0.41173 -0.75586 167 3PZ 0.35730 -0.01527 0.02039 -0.03828 0.21542 168 4XX 0.01346 -0.00384 -0.02920 0.00061 0.00197 169 4YY 0.01942 0.00481 0.05566 -0.00781 -0.01826 170 4ZZ -0.02599 -0.00236 -0.03663 0.01727 -0.00645 171 4XY -0.00180 0.00195 -0.00007 0.01282 0.00479 172 4XZ -0.01481 0.00896 -0.00275 0.02605 -0.04074 173 4YZ -0.03557 0.01209 0.01248 0.01927 -0.02385 174 16 H 1S -0.01073 0.01969 0.26225 -0.05689 -0.16828 175 2S -0.04789 0.06555 -0.11993 0.01393 0.20202 176 17 H 1S -0.01071 -0.02002 0.26222 -0.05698 0.16818 177 2S -0.04810 -0.06540 -0.11993 0.01408 -0.20194 178 18 H 1S 0.04057 -0.05771 0.26300 -0.01754 0.11258 179 2S -0.13426 -0.00639 -0.08727 0.20350 0.24331 180 19 H 1S -0.00184 -0.01446 0.15764 -0.13218 -0.08361 181 2S -0.01816 -0.15948 0.00868 0.10854 -0.22191 182 20 H 1S -0.00185 0.01436 0.15758 -0.13219 0.08356 183 2S -0.01812 0.15945 0.00898 0.10860 0.22208 184 21 H 1S 0.04058 0.05737 0.26305 -0.01745 -0.11284 185 2S -0.13437 0.00641 -0.08723 0.20367 -0.24336 186 22 H 1S 0.06272 -0.00701 0.06181 0.05803 0.06039 187 2S -0.05194 0.04581 -0.01765 -0.02802 0.01692 188 23 H 1S 0.06275 0.00683 0.06190 0.05798 -0.06038 189 2S -0.05189 -0.04572 -0.01782 -0.02805 -0.01687 76 77 78 79 80 V V V V V Eigenvalues -- 0.57934 0.60743 0.61335 0.61823 0.63631 1 1 C 1S -0.00533 0.01845 0.01201 -0.00896 -0.01498 2 2S -0.34791 0.22836 0.13644 -0.21672 0.14396 3 2PX -0.10748 0.17616 0.12793 -0.03995 -0.01432 4 2PY 0.06074 -0.33712 0.16148 0.06924 0.23766 5 2PZ -0.12510 0.23677 -0.04699 -0.12694 -0.11708 6 3S 0.64553 -0.66067 0.03018 0.46104 -0.68304 7 3PX 0.26553 -0.53527 -0.14814 0.14136 0.17572 8 3PY -0.16220 0.33582 -0.39269 -0.20958 -0.76965 9 3PZ 0.19563 -0.51818 -0.00473 0.06498 -0.15685 10 4XX 0.01626 -0.02779 0.02561 0.00531 0.05021 11 4YY -0.03597 0.06431 0.03870 -0.01181 -0.04350 12 4ZZ -0.01961 -0.00798 -0.02289 -0.02911 0.00401 13 4XY -0.01724 0.00328 0.01258 -0.01359 0.00559 14 4XZ -0.01729 -0.00246 0.01810 -0.01521 -0.00562 15 4YZ -0.04666 0.00513 0.00044 -0.05779 -0.00839 16 2 O 1S 0.00312 -0.00518 0.00036 0.00266 0.00252 17 2S -0.02573 0.02869 0.01997 -0.06314 -0.05439 18 2PX -0.05923 0.07565 -0.00524 0.03002 -0.01941 19 2PY 0.10323 -0.09290 0.03116 0.13869 0.02634 20 2PZ -0.03145 0.05432 0.04680 -0.04789 0.04090 21 3S -0.12452 0.39307 -0.09118 0.00201 0.03972 22 3PX 0.10640 -0.16423 0.02279 0.05346 0.02375 23 3PY -0.01760 0.07620 0.03016 -0.02714 0.03785 24 3PZ 0.10300 -0.11045 0.00067 0.02966 0.03687 25 4XX -0.03162 0.05001 -0.00146 -0.03261 -0.03822 26 4YY -0.00102 -0.00501 0.00500 -0.02291 -0.00361 27 4ZZ -0.00324 0.00952 0.00513 -0.01440 -0.00612 28 4XY 0.01986 -0.01738 0.00224 0.02094 -0.00114 29 4XZ -0.03226 0.05519 0.00750 -0.01455 -0.01012 30 4YZ 0.00810 -0.01178 -0.00722 0.00976 -0.00319 31 3 C 1S 0.00672 -0.00001 0.00311 0.00174 0.00000 32 2S -0.03542 0.00006 -0.00720 -0.03274 0.00003 33 2PX -0.08768 -0.00010 0.02113 0.02758 -0.00001 34 2PY 0.00008 0.04603 0.00006 0.00015 -0.00713 35 2PZ -0.04553 0.00004 0.08453 -0.12315 0.00005 36 3S -0.01863 0.00000 -0.07414 0.07533 -0.00008 37 3PX 0.46549 0.00029 -0.14447 0.05289 -0.00002 38 3PY -0.00021 -0.09953 -0.00012 -0.00035 0.07581 39 3PZ 0.29341 0.00001 -0.34157 0.52020 -0.00019 40 4XX 0.00060 0.00001 -0.01688 0.00842 -0.00001 41 4YY -0.00665 -0.00002 0.01212 0.01985 0.00000 42 4ZZ 0.00258 0.00001 0.01032 -0.02785 0.00001 43 4XY 0.00001 -0.02055 -0.00002 -0.00001 0.01142 44 4XZ 0.03118 0.00000 -0.01174 0.03020 -0.00001 45 4YZ 0.00001 -0.00655 0.00000 0.00001 -0.00525 46 4 C 1S -0.00533 -0.01847 0.01196 -0.00899 0.01500 47 2S -0.34788 -0.22844 0.13600 -0.21701 -0.14378 48 2PX -0.10719 -0.17654 0.12752 -0.04008 0.01438 49 2PY -0.06045 -0.33667 -0.16228 -0.06958 0.23753 50 2PZ -0.12500 -0.23649 -0.04749 -0.12717 0.11717 51 3S 0.64570 0.66027 0.03151 0.46219 0.68287 52 3PX 0.26489 0.53562 -0.14692 0.14183 -0.17587 53 3PY 0.16180 0.33469 0.39366 0.20969 -0.76948 54 3PZ 0.19565 0.51818 -0.00364 0.06560 0.15662 55 4XX 0.01624 0.02774 0.02568 0.00533 -0.05020 56 4YY -0.03594 -0.06438 0.03854 -0.01191 0.04354 57 4ZZ -0.01961 0.00805 -0.02287 -0.02908 -0.00402 58 4XY 0.01725 0.00330 -0.01257 0.01360 0.00558 59 4XZ -0.01730 0.00244 0.01810 -0.01522 0.00563 60 4YZ 0.04665 0.00505 -0.00041 0.05780 -0.00840 61 5 H 1S -0.08734 -0.00002 0.10540 -0.19898 0.00008 62 2S -0.05849 -0.00002 0.14871 -0.19917 0.00008 63 6 H 1S -0.08721 -0.00002 -0.00112 -0.02244 0.00000 64 2S -0.20516 -0.00017 0.09487 -0.00112 0.00003 65 7 O 1S 0.00312 0.00518 0.00037 0.00267 -0.00253 66 2S -0.02577 -0.02866 0.01989 -0.06325 0.05444 67 2PX -0.05913 -0.07575 -0.00542 0.03001 0.01938 68 2PY -0.10312 -0.09268 -0.03136 -0.13872 0.02637 69 2PZ -0.03144 -0.05436 0.04670 -0.04802 -0.04084 70 3S -0.12412 -0.39296 -0.09204 0.00187 -0.03974 71 3PX 0.10640 0.16417 0.02319 0.05366 -0.02378 72 3PY 0.01751 0.07623 -0.03001 0.02718 0.03780 73 3PZ 0.10298 0.11049 0.00093 0.02986 -0.03688 74 4XX -0.03160 -0.04997 -0.00157 -0.03268 0.03823 75 4YY -0.00103 0.00504 0.00501 -0.02292 0.00363 76 4ZZ -0.00323 -0.00952 0.00512 -0.01443 0.00613 77 4XY -0.01986 -0.01734 -0.00227 -0.02097 -0.00113 78 4XZ -0.03221 -0.05520 0.00738 -0.01460 0.01014 79 4YZ -0.00810 -0.01179 0.00719 -0.00979 -0.00319 80 8 H 1S -0.17112 -0.09506 0.00234 -0.28340 0.20256 81 2S 0.04866 0.04672 -0.18005 0.01040 0.24487 82 9 H 1S -0.17117 0.09538 0.00260 -0.28332 -0.20245 83 2S 0.04861 -0.04634 -0.18007 0.01030 -0.24498 84 10 C 1S 0.02299 -0.01986 0.00849 -0.02374 -0.02650 85 2S -0.06306 0.14433 0.12641 -0.22296 0.02180 86 2PX -0.22306 -0.05213 -0.48235 0.08605 -0.26956 87 2PY 0.28138 -0.11529 -0.06887 -0.17296 0.07858 88 2PZ -0.12517 0.25442 0.26163 0.06429 0.15255 89 3S -0.04729 -0.00805 -0.11473 0.67915 0.29957 90 3PX 0.19895 0.31532 0.61804 0.09398 0.61326 91 3PY -0.30208 -0.24917 0.23398 0.19728 0.08389 92 3PZ 0.02605 0.02206 -0.09250 0.11244 0.09987 93 4XX -0.01058 -0.00313 -0.01417 -0.02516 -0.02657 94 4YY 0.02674 0.01811 0.00210 -0.04654 -0.01844 95 4ZZ 0.00416 -0.00140 0.06270 0.00916 0.02957 96 4XY -0.01574 0.00196 -0.02490 -0.01467 0.01090 97 4XZ 0.01700 -0.01542 0.04332 -0.03476 -0.01489 98 4YZ -0.02143 0.00097 0.02859 -0.02743 -0.00040 99 11 C 1S 0.02294 0.01988 0.00852 -0.02372 0.02650 100 2S -0.06307 -0.14438 0.12612 -0.22320 -0.02179 101 2PX -0.22300 0.05302 -0.48224 0.08620 0.26955 102 2PY -0.28148 -0.11567 0.06857 0.17262 0.07866 103 2PZ -0.12526 -0.25523 0.26107 0.06382 -0.15256 104 3S -0.04642 0.00720 -0.11456 0.67910 -0.29976 105 3PX 0.19965 -0.31681 0.61745 0.09327 -0.61321 106 3PY 0.30237 -0.24839 -0.23464 -0.19771 0.08380 107 3PZ 0.02672 -0.02199 -0.09242 0.11237 -0.09977 108 4XX -0.01056 0.00318 -0.01416 -0.02514 0.02657 109 4YY 0.02669 -0.01806 0.00204 -0.04661 0.01842 110 4ZZ 0.00416 0.00127 0.06270 0.00916 -0.02955 111 4XY 0.01575 0.00187 0.02490 0.01467 0.01088 112 4XZ 0.01697 0.01538 0.04334 -0.03474 0.01491 113 4YZ 0.02142 0.00097 -0.02861 0.02742 -0.00043 114 12 C 1S -0.04631 -0.03207 0.00297 0.02861 0.00126 115 2S 0.00215 -0.03544 0.14756 -0.06689 -0.05547 116 2PX 0.02282 0.01915 -0.15834 -0.19084 0.12211 117 2PY -0.11243 -0.11460 -0.06960 -0.08345 -0.01311 118 2PZ 0.00280 -0.12876 0.05829 0.22804 -0.47151 119 3S -0.11926 -0.08010 -0.47137 -0.23612 0.47031 120 3PX -0.30234 -0.45334 0.09792 0.42848 -0.18795 121 3PY 0.07663 0.24649 0.41887 0.77731 -0.26979 122 3PZ -0.12603 -0.32259 -0.05098 -0.09701 0.60587 123 4XX 0.02317 0.01957 0.01653 0.03105 -0.01822 124 4YY -0.03220 -0.03854 0.02954 -0.03261 0.01888 125 4ZZ -0.04532 -0.03156 -0.02864 0.01865 -0.00444 126 4XY -0.03577 -0.02180 0.02096 0.01415 -0.02063 127 4XZ -0.06398 -0.05132 -0.02251 0.00523 0.01099 128 4YZ 0.01037 0.03622 -0.02627 -0.01172 0.01810 129 13 C 1S 0.01475 0.00272 0.00444 -0.00858 -0.02528 130 2S -0.12540 -0.14550 -0.01730 -0.02010 0.23403 131 2PX 0.00933 0.09562 0.16375 0.06146 -0.07815 132 2PY -0.24644 0.04689 0.05493 0.33695 -0.31945 133 2PZ 0.33542 0.38610 0.05380 0.02733 0.01522 134 3S 0.33039 0.51285 0.01934 -0.10215 -1.00026 135 3PX 0.05092 -0.20254 -0.29613 -0.19839 0.18650 136 3PY 0.35140 0.01329 -0.17879 -0.64580 0.75633 137 3PZ -0.39522 -1.03814 -0.28753 -0.19834 0.11164 138 4XX -0.00544 0.01700 0.02318 0.03489 0.03158 139 4YY 0.01431 -0.00217 -0.02674 -0.06351 -0.03133 140 4ZZ -0.00033 -0.02034 0.00268 0.00941 -0.00900 141 4XY -0.01813 -0.00334 0.01066 -0.00903 0.00517 142 4XZ -0.00126 -0.00806 0.00997 -0.01346 -0.02599 143 4YZ -0.00832 0.00062 0.00250 -0.04211 0.01763 144 14 C 1S 0.01476 -0.00271 0.00443 -0.00859 0.02528 145 2S -0.12543 0.14553 -0.01683 -0.01977 -0.23402 146 2PX 0.00946 -0.09608 0.16355 0.06151 0.07830 147 2PY 0.24619 0.04765 -0.05465 -0.33673 -0.31946 148 2PZ 0.33542 -0.38614 0.05294 0.02656 -0.01539 149 3S 0.33030 -0.51262 0.01762 -0.10330 1.00027 150 3PX 0.05089 0.20353 -0.29577 -0.19834 -0.18686 151 3PY -0.35151 0.01161 0.17842 0.64563 0.75635 152 3PZ -0.39520 1.03884 -0.28495 -0.19617 -0.11139 153 4XX -0.00546 -0.01709 0.02316 0.03486 -0.03156 154 4YY 0.01432 0.00232 -0.02675 -0.06353 0.03132 155 4ZZ -0.00033 0.02030 0.00272 0.00947 0.00900 156 4XY 0.01813 -0.00334 -0.01066 0.00904 0.00515 157 4XZ -0.00126 0.00810 0.00996 -0.01346 0.02602 158 4YZ 0.00832 0.00055 -0.00252 0.04209 0.01761 159 15 C 1S -0.04633 0.03202 0.00304 0.02867 -0.00125 160 2S 0.00222 0.03522 0.14761 -0.06688 0.05547 161 2PX 0.02251 -0.01847 -0.15844 -0.19098 -0.12215 162 2PY 0.11247 -0.11493 0.06936 0.08321 -0.01327 163 2PZ 0.00279 0.12831 0.05843 0.22830 0.47158 164 3S -0.11831 0.08140 -0.47091 -0.23589 -0.47034 165 3PX -0.30235 0.45238 0.09894 0.42944 0.18794 166 3PY -0.07604 0.24845 -0.41812 -0.77685 -0.26963 167 3PZ -0.12650 0.32264 -0.05010 -0.09655 -0.60610 168 4XX 0.02318 -0.01965 0.01648 0.03102 0.01819 169 4YY -0.03221 0.03853 0.02963 -0.03256 -0.01884 170 4ZZ -0.04532 0.03159 -0.02856 0.01869 0.00443 171 4XY 0.03577 -0.02174 -0.02099 -0.01420 -0.02066 172 4XZ -0.06397 0.05134 -0.02240 0.00532 -0.01099 173 4YZ -0.01034 0.03614 0.02636 0.01177 0.01811 174 16 H 1S 0.01119 -0.04075 0.20319 -0.23035 -0.06934 175 2S 0.00005 0.13951 0.08641 0.12284 0.16895 176 17 H 1S 0.01105 0.04072 0.20322 -0.23034 0.06948 177 2S 0.00032 -0.13989 0.08617 0.12256 -0.16895 178 18 H 1S -0.23795 -0.16244 0.10843 -0.05979 0.02507 179 2S 0.00843 -0.03202 -0.24801 -0.31259 0.05897 180 19 H 1S -0.01261 0.06799 0.15702 0.00616 -0.03306 181 2S -0.01749 0.01841 0.09282 0.12526 -0.13486 182 20 H 1S -0.01269 -0.06828 0.15683 0.00603 0.03315 183 2S -0.01766 -0.01866 0.09268 0.12503 0.13495 184 21 H 1S -0.23793 0.16230 0.10879 -0.05954 -0.02492 185 2S 0.00863 0.03294 -0.24788 -0.31251 -0.05905 186 22 H 1S 0.02452 0.02243 0.06172 0.03829 -0.04346 187 2S 0.03051 0.10380 0.07016 0.06545 -0.16983 188 23 H 1S 0.02458 -0.02264 0.06166 0.03827 0.04351 189 2S 0.03054 -0.10404 0.06977 0.06521 0.16973 81 82 83 84 85 V V V V V Eigenvalues -- 0.66309 0.67863 0.71283 0.72293 0.74094 1 1 C 1S 0.00159 0.01345 0.00636 -0.01662 -0.00627 2 2S -0.09432 -0.02712 -0.16153 -0.11922 -0.33761 3 2PX -0.29350 0.08911 0.01242 -0.09415 -0.31950 4 2PY -0.09445 -0.20686 0.16820 0.02570 -0.38111 5 2PZ 0.10987 0.05375 -0.22059 0.06938 -0.00958 6 3S 0.51558 0.34674 0.49817 0.50498 1.87015 7 3PX 0.68346 -0.25197 0.15922 0.02855 1.00571 8 3PY 0.32284 0.69172 -0.37797 -0.19787 1.04115 9 3PZ -0.05496 0.03164 0.45949 0.00719 0.60744 10 4XX -0.01614 -0.03512 0.03096 -0.02273 -0.01324 11 4YY 0.01974 0.03974 0.00459 -0.01106 0.05510 12 4ZZ 0.00311 0.00450 -0.03594 0.00305 -0.02733 13 4XY -0.00431 -0.00343 -0.03107 -0.02836 -0.01762 14 4XZ 0.00650 -0.00723 0.00862 -0.00055 0.00379 15 4YZ -0.00049 0.00722 0.00739 -0.00892 -0.00469 16 2 O 1S 0.00051 -0.00501 0.00675 0.00640 0.00806 17 2S 0.03357 0.00150 -0.02279 0.00869 0.04018 18 2PX -0.05319 0.09553 -0.18941 -0.02539 -0.09277 19 2PY 0.02605 -0.10264 0.10302 0.06967 0.07013 20 2PZ 0.00894 -0.10324 0.08246 0.01076 0.05265 21 3S -0.25045 0.25316 -0.28632 -0.18818 -0.61531 22 3PX 0.04279 -0.08567 0.22126 0.10749 0.24810 23 3PY -0.05044 0.05917 -0.07820 -0.06091 -0.16549 24 3PZ 0.06209 0.02944 0.03330 0.01418 0.09699 25 4XX 0.00801 0.02369 -0.04357 0.00606 0.00325 26 4YY 0.00428 -0.01189 -0.00049 -0.00065 -0.00727 27 4ZZ 0.00240 0.00408 0.00701 0.00571 0.02204 28 4XY 0.00576 0.00622 0.00990 0.00274 0.02693 29 4XZ -0.01986 0.01617 -0.02284 -0.00369 -0.03069 30 4YZ 0.02323 0.00583 0.00949 0.01711 0.04015 31 3 C 1S 0.00000 0.00000 -0.00782 -0.00062 -0.00001 32 2S -0.00001 -0.00008 -0.02791 0.03204 -0.00017 33 2PX 0.00000 0.00005 -0.14208 0.04271 0.00001 34 2PY -0.00691 -0.11718 -0.00005 0.00003 0.00317 35 2PZ 0.00000 -0.00009 0.19919 -0.00973 0.00000 36 3S 0.00003 0.00012 0.07490 -0.03202 0.00034 37 3PX 0.00001 -0.00009 0.55979 -0.11936 0.00016 38 3PY 0.02810 0.23173 0.00009 -0.00004 0.09580 39 3PZ 0.00005 0.00017 -0.30146 0.09417 0.00018 40 4XX 0.00000 0.00000 -0.01673 0.00899 -0.00001 41 4YY 0.00001 0.00000 0.00982 0.02204 -0.00004 42 4ZZ -0.00001 -0.00001 0.00294 -0.01697 0.00000 43 4XY 0.01311 -0.01827 -0.00001 0.00001 0.02575 44 4XZ 0.00001 0.00000 0.03375 0.01119 0.00002 45 4YZ 0.00173 -0.01544 0.00000 0.00001 0.01047 46 4 C 1S -0.00160 -0.01345 0.00635 -0.01661 0.00627 47 2S 0.09425 0.02704 -0.16152 -0.11921 0.33762 48 2PX 0.29344 -0.08912 0.01224 -0.09393 0.31907 49 2PY -0.09450 -0.20689 -0.16808 -0.02574 -0.38107 50 2PZ -0.10987 -0.05387 -0.22052 0.06929 0.00957 51 3S -0.51522 -0.34660 0.49840 0.50479 -1.86999 52 3PX -0.68338 0.25204 0.15964 0.02798 -1.00510 53 3PY 0.32309 0.69184 0.37789 0.19770 1.04120 54 3PZ 0.05505 -0.03147 0.45959 0.00728 -0.60712 55 4XX 0.01615 0.03512 0.03097 -0.02274 0.01324 56 4YY -0.01973 -0.03974 0.00460 -0.01106 -0.05511 57 4ZZ -0.00313 -0.00451 -0.03595 0.00307 0.02737 58 4XY -0.00430 -0.00343 0.03107 0.02836 -0.01759 59 4XZ -0.00650 0.00723 0.00864 -0.00056 -0.00374 60 4YZ -0.00047 0.00722 -0.00738 0.00892 -0.00480 61 5 H 1S -0.00005 0.00001 -0.08970 -0.09414 -0.00009 62 2S -0.00002 -0.00011 0.25220 0.00826 -0.00015 63 6 H 1S -0.00002 0.00001 -0.21828 -0.02972 -0.00011 64 2S 0.00000 0.00003 -0.28164 0.08685 -0.00013 65 7 O 1S -0.00051 0.00501 0.00676 0.00640 -0.00806 66 2S -0.03361 -0.00152 -0.02270 0.00865 -0.04027 67 2PX 0.05317 -0.09552 -0.18951 -0.02528 0.09256 68 2PY 0.02597 -0.10272 -0.10306 -0.06961 0.07019 69 2PZ -0.00894 0.10320 0.08253 0.01064 -0.05270 70 3S 0.25036 -0.25321 -0.28671 -0.18783 0.61521 71 3PX -0.04270 0.08569 0.22139 0.10734 -0.24789 72 3PY -0.05040 0.05920 0.07822 0.06086 -0.16546 73 3PZ -0.06206 -0.02944 0.03332 0.01418 -0.09692 74 4XX -0.00803 -0.02371 -0.04355 0.00606 -0.00330 75 4YY -0.00430 0.01188 -0.00046 -0.00066 0.00725 76 4ZZ -0.00240 -0.00409 0.00703 0.00569 -0.02206 77 4XY 0.00575 0.00622 -0.00989 -0.00274 0.02695 78 4XZ 0.01986 -0.01618 -0.02284 -0.00368 0.03064 79 4YZ 0.02322 0.00584 -0.00951 -0.01710 0.04016 80 8 H 1S -0.02611 -0.17401 0.04812 -0.06167 0.07861 81 2S -0.06712 -0.13581 0.01431 -0.06299 -0.39556 82 9 H 1S 0.02599 0.17395 0.04817 -0.06179 -0.07829 83 2S 0.06706 0.13577 0.01429 -0.06306 0.39527 84 10 C 1S -0.04388 0.04067 -0.02178 -0.00066 -0.02252 85 2S 0.18407 0.01595 -0.19133 0.03953 0.11332 86 2PX 0.42780 0.01922 -0.02953 -0.14882 -0.36927 87 2PY 0.24110 -0.19987 -0.18995 0.00901 0.10183 88 2PZ -0.16974 0.06718 0.12712 0.11316 0.23477 89 3S -0.68015 0.05631 -0.49777 0.33082 -0.36106 90 3PX -0.68457 -0.01970 -0.18008 0.43581 0.95747 91 3PY -0.61384 -0.00941 0.28717 -0.08004 -0.15861 92 3PZ 0.27652 -0.18076 -0.44504 -0.17994 -0.40945 93 4XX 0.01809 0.00021 -0.01717 -0.00206 0.00080 94 4YY -0.05571 0.03385 -0.03662 0.00923 -0.01787 95 4ZZ -0.00470 0.01634 -0.01255 0.00319 0.01677 96 4XY 0.00622 0.00961 0.05107 -0.03837 0.00902 97 4XZ -0.04063 0.04480 -0.05955 0.00282 -0.01298 98 4YZ 0.01271 0.00700 0.03755 -0.01357 0.00665 99 11 C 1S 0.04388 -0.04068 -0.02180 -0.00066 0.02247 100 2S -0.18412 -0.01602 -0.19125 0.03952 -0.11316 101 2PX -0.42792 -0.01925 -0.02955 -0.14847 0.36932 102 2PY 0.24122 -0.19976 0.19013 -0.00913 0.10215 103 2PZ 0.16985 -0.06715 0.12730 0.11291 -0.23441 104 3S 0.68026 -0.05597 -0.49764 0.33055 0.35979 105 3PX 0.68474 0.01983 -0.17953 0.43477 -0.95781 106 3PY -0.61406 -0.00952 -0.28695 0.08006 -0.15931 107 3PZ -0.27664 0.18086 -0.44488 -0.17983 0.40888 108 4XX -0.01811 -0.00021 -0.01721 -0.00203 -0.00083 109 4YY 0.05568 -0.03387 -0.03657 0.00920 0.01783 110 4ZZ 0.00473 -0.01634 -0.01255 0.00319 -0.01675 111 4XY 0.00625 0.00961 -0.05108 0.03838 0.00899 112 4XZ 0.04063 -0.04481 -0.05958 0.00283 0.01290 113 4YZ 0.01271 0.00702 -0.03756 0.01358 0.00661 114 12 C 1S -0.01596 -0.00038 0.01539 0.00177 0.01016 115 2S 0.13199 -0.19974 -0.31505 -0.15350 0.06539 116 2PX -0.20699 0.02793 0.22060 0.27924 -0.33051 117 2PY -0.09175 0.21999 0.38879 -0.10199 0.03092 118 2PZ -0.16109 0.02607 0.03771 -0.57861 0.07897 119 3S -0.52205 0.56571 0.75142 0.51812 0.17582 120 3PX -0.05437 -0.06068 -0.79422 -0.18666 0.62048 121 3PY 0.31369 -0.59577 -0.95232 0.28769 -0.04437 122 3PZ 0.20163 -0.12252 -0.14153 1.37121 -0.13479 123 4XX 0.03423 -0.01574 -0.00043 0.00462 -0.00737 124 4YY -0.02155 -0.01495 0.02482 -0.04484 -0.00825 125 4ZZ -0.01795 0.02117 -0.01898 0.02189 0.03448 126 4XY -0.01044 -0.01117 -0.00612 -0.01330 0.01581 127 4XZ -0.03371 -0.00779 0.01103 0.00163 0.00905 128 4YZ -0.02063 -0.02493 0.01128 -0.01103 -0.00451 129 13 C 1S -0.01275 -0.02764 0.00405 -0.02146 -0.00405 130 2S 0.06147 0.31582 -0.10741 0.11661 0.02068 131 2PX 0.07099 0.01415 -0.09412 -0.04722 0.06430 132 2PY -0.29713 -0.45346 -0.08286 0.29163 0.06659 133 2PZ 0.11985 -0.24330 -0.14121 -0.10988 -0.12048 134 3S -0.24959 -1.09496 0.30098 -0.91078 0.10662 135 3PX -0.11584 0.11567 0.30531 0.18960 -0.20501 136 3PY 0.62684 1.47117 0.38919 -0.66665 -0.24656 137 3PZ -0.33521 0.97894 0.40948 0.37641 0.37341 138 4XX 0.01801 0.00982 -0.02295 0.03434 -0.00571 139 4YY -0.02990 -0.03741 0.01019 -0.01433 0.00689 140 4ZZ 0.00502 0.02596 0.00647 -0.04538 -0.00187 141 4XY -0.00144 -0.00090 -0.01800 0.02753 0.00016 142 4XZ -0.00003 0.01833 -0.01212 -0.00582 0.00857 143 4YZ 0.00860 0.00199 0.06660 -0.00364 -0.00245 144 14 C 1S 0.01275 0.02763 0.00405 -0.02146 0.00409 145 2S -0.06148 -0.31581 -0.10738 0.11659 -0.02067 146 2PX -0.07091 -0.01410 -0.09440 -0.04713 -0.06431 147 2PY -0.29715 -0.45359 0.08288 -0.29160 0.06696 148 2PZ -0.11988 0.24320 -0.14118 -0.10987 0.12094 149 3S 0.24959 1.09489 0.30095 -0.91079 -0.10541 150 3PX 0.11572 -0.11601 0.30608 0.18939 0.20490 151 3PY 0.62690 1.47159 -0.38954 0.66665 -0.24722 152 3PZ 0.33520 -0.97860 0.40926 0.37643 -0.37484 153 4XX -0.01801 -0.00982 -0.02296 0.03436 0.00568 154 4YY 0.02989 0.03740 0.01022 -0.01434 -0.00686 155 4ZZ -0.00502 -0.02595 0.00646 -0.04540 0.00195 156 4XY -0.00145 -0.00093 0.01800 -0.02753 0.00018 157 4XZ 0.00004 -0.01834 -0.01213 -0.00582 -0.00854 158 4YZ 0.00863 0.00203 -0.06661 0.00366 -0.00234 159 15 C 1S 0.01596 0.00040 0.01539 0.00176 -0.01016 160 2S -0.13193 0.19973 -0.31508 -0.15356 -0.06502 161 2PX 0.20705 -0.02791 0.22035 0.27949 0.33113 162 2PY -0.09175 0.22002 -0.38877 0.10206 0.03108 163 2PZ 0.16104 -0.02598 0.03753 -0.57867 -0.07811 164 3S 0.52179 -0.56592 0.75197 0.51779 -0.17650 165 3PX 0.05433 0.06078 -0.79428 -0.18667 -0.62178 166 3PY 0.31342 -0.59610 0.95247 -0.28803 -0.04453 167 3PZ -0.20151 0.12249 -0.14148 1.37143 0.13259 168 4XX -0.03422 0.01575 -0.00044 0.00463 0.00741 169 4YY 0.02156 0.01496 0.02482 -0.04487 0.00828 170 4ZZ 0.01794 -0.02117 -0.01897 0.02187 -0.03449 171 4XY -0.01045 -0.01118 0.00615 0.01328 0.01575 172 4XZ 0.03370 0.00779 0.01102 0.00163 -0.00899 173 4YZ -0.02063 -0.02493 -0.01127 0.01102 -0.00454 174 16 H 1S -0.15106 0.17446 -0.03550 -0.04068 -0.03739 175 2S -0.04245 -0.24942 -0.17678 0.10224 0.11778 176 17 H 1S 0.15104 -0.17453 -0.03547 -0.04073 0.03704 177 2S 0.04252 0.24952 -0.17659 0.10202 -0.11771 178 18 H 1S -0.14274 -0.13515 0.05771 -0.09198 -0.02545 179 2S 0.00290 0.13453 0.31163 -0.05813 0.02084 180 19 H 1S -0.02427 -0.14081 -0.07604 0.01290 -0.05497 181 2S -0.07956 -0.35721 -0.19626 -0.08560 0.07321 182 20 H 1S 0.02429 0.14091 -0.07619 0.01305 0.05518 183 2S 0.07964 0.35713 -0.19643 -0.08554 -0.07301 184 21 H 1S 0.14273 0.13515 0.05764 -0.09197 0.02560 185 2S -0.00302 -0.13466 0.31159 -0.05812 -0.02095 186 22 H 1S -0.02150 -0.19720 0.07250 -0.18920 0.00234 187 2S -0.05708 -0.36648 -0.28895 0.09130 -0.09129 188 23 H 1S 0.02150 0.19709 0.07256 -0.18935 -0.00221 189 2S 0.05714 0.36661 -0.28893 0.09138 0.09176 86 87 88 89 90 V V V V V Eigenvalues -- 0.75190 0.77536 0.79575 0.79877 0.81071 1 1 C 1S 0.00558 0.01482 0.00121 0.00873 -0.00526 2 2S -0.00687 -0.01718 0.27398 -0.08442 0.14423 3 2PX 0.28068 0.13336 0.14395 0.02136 0.03756 4 2PY 0.05666 -0.10272 0.08570 -0.32554 -0.01260 5 2PZ -0.11529 -0.16819 0.21081 -0.30741 0.05119 6 3S -0.20839 -0.44542 -0.11585 0.86622 -0.18013 7 3PX -0.32935 -0.19919 -0.32639 0.36663 -0.11981 8 3PY -0.05229 0.51312 -0.27774 1.44323 0.02893 9 3PZ -0.00291 0.29672 -0.38717 0.97816 -0.01372 10 4XX 0.00317 0.00246 -0.01606 -0.01523 0.01443 11 4YY 0.00808 -0.02456 0.04108 0.05819 0.01680 12 4ZZ -0.02590 0.03922 -0.00116 -0.00833 -0.02626 13 4XY 0.01242 0.03728 -0.04760 -0.00417 -0.00168 14 4XZ -0.03422 0.04487 0.02649 -0.01004 0.01017 15 4YZ -0.04437 0.01521 -0.05743 -0.00395 -0.01678 16 2 O 1S -0.00228 -0.00474 0.01091 -0.00258 0.00369 17 2S 0.03334 -0.20396 -0.12849 -0.00836 -0.03433 18 2PX 0.11611 -0.16478 -0.11465 0.09439 0.05648 19 2PY 0.05494 -0.07714 0.16285 -0.01580 0.03956 20 2PZ 0.04619 -0.10420 -0.05922 -0.13502 -0.09407 21 3S 0.08682 0.47796 0.21398 -0.13050 0.07247 22 3PX -0.14051 -0.04386 0.13161 -0.04625 -0.14495 23 3PY -0.01074 0.00141 -0.14886 -0.08606 -0.04990 24 3PZ -0.08610 0.10601 0.00515 0.07982 0.17222 25 4XX 0.02038 -0.04572 0.02147 -0.00027 -0.03049 26 4YY -0.00070 -0.05649 -0.09101 -0.03295 -0.02241 27 4ZZ 0.01127 -0.08585 -0.03370 0.01156 0.03292 28 4XY 0.01729 -0.00915 0.03644 0.03034 -0.03028 29 4XZ 0.02290 -0.01172 0.05257 -0.01331 0.01922 30 4YZ -0.00359 -0.03768 0.00777 0.00411 0.03297 31 3 C 1S 0.01846 -0.04871 -0.04322 -0.00002 -0.00669 32 2S 0.14077 -0.18597 0.30349 0.00009 0.08016 33 2PX -0.00283 -0.23807 0.30686 0.00009 -0.52058 34 2PY 0.00001 -0.00003 0.00002 -0.03512 -0.00007 35 2PZ -0.03257 0.29845 -0.13186 -0.00003 0.54413 36 3S -0.29019 0.54551 -0.33298 -0.00010 -0.08121 37 3PX -0.17797 1.11618 -0.90250 -0.00013 0.97897 38 3PY 0.00008 0.00007 -0.00001 0.07328 0.00017 39 3PZ -0.18596 -0.59063 0.07613 0.00001 -1.15787 40 4XX -0.00502 -0.09614 -0.12722 -0.00006 0.12256 41 4YY 0.04204 -0.04459 0.11339 0.00002 0.02798 42 4ZZ 0.01958 0.04281 0.01560 0.00003 -0.14222 43 4XY 0.00002 0.00000 0.00000 0.00191 0.00001 44 4XZ -0.01850 0.03492 -0.02842 0.00000 -0.01310 45 4YZ 0.00001 -0.00002 0.00002 -0.00208 0.00003 46 4 C 1S 0.00559 0.01482 0.00122 -0.00874 -0.00525 47 2S -0.00618 -0.01725 0.27395 0.08450 0.14434 48 2PX 0.28121 0.13349 0.14392 -0.02134 0.03745 49 2PY -0.05745 0.10272 -0.08549 -0.32559 0.01263 50 2PZ -0.11518 -0.16834 0.21067 0.30755 0.05147 51 3S -0.21223 -0.44551 -0.11533 -0.86617 -0.18057 52 3PX -0.33120 -0.19953 -0.32602 -0.36694 -0.11963 53 3PY 0.05473 -0.51317 0.27688 1.44342 -0.02873 54 3PZ -0.00438 0.29690 -0.38671 -0.97818 -0.01470 55 4XX 0.00320 0.00245 -0.01606 0.01516 0.01445 56 4YY 0.00795 -0.02456 0.04110 -0.05818 0.01680 57 4ZZ -0.02583 0.03922 -0.00115 0.00839 -0.02627 58 4XY -0.01245 -0.03729 0.04760 -0.00416 0.00168 59 4XZ -0.03422 0.04485 0.02649 0.01007 0.01017 60 4YZ 0.04436 -0.01523 0.05744 -0.00393 0.01679 61 5 H 1S 0.17108 -0.09010 -0.07286 0.00003 -0.56965 62 2S 0.10702 0.21431 -0.18143 -0.00011 1.38320 63 6 H 1S 0.10117 -0.57526 -0.60240 -0.00031 0.47701 64 2S 0.15674 -0.46903 1.17526 0.00038 -1.23457 65 7 O 1S -0.00229 -0.00474 0.01091 0.00258 0.00368 66 2S 0.03322 -0.20404 -0.12845 0.00826 -0.03425 67 2PX 0.11628 -0.16468 -0.11464 -0.09445 0.05639 68 2PY -0.05486 0.07713 -0.16280 -0.01585 -0.03949 69 2PZ 0.04609 -0.10427 -0.05928 0.13493 -0.09397 70 3S 0.08807 0.47817 0.21382 0.13082 0.07254 71 3PX -0.14097 -0.04397 0.13160 0.04625 -0.14502 72 3PY 0.01044 -0.00143 0.14890 -0.08605 0.04979 73 3PZ -0.08625 0.10602 0.00521 -0.07978 0.17219 74 4XX 0.02036 -0.04575 0.02148 0.00031 -0.03047 75 4YY -0.00069 -0.05653 -0.09101 0.03290 -0.02238 76 4ZZ 0.01121 -0.08587 -0.03367 -0.01162 0.03293 77 4XY -0.01724 0.00915 -0.03646 0.03031 0.03029 78 4XZ 0.02295 -0.01173 0.05256 0.01334 0.01925 79 4YZ 0.00366 0.03769 -0.00779 0.00412 -0.03299 80 8 H 1S -0.17328 0.27523 -0.17707 0.01100 -0.05899 81 2S 0.20527 0.17701 -0.06785 -0.86379 0.13304 82 9 H 1S -0.17342 0.27520 -0.17704 -0.01099 -0.05894 83 2S 0.20627 0.17692 -0.06835 0.86368 0.13345 84 10 C 1S 0.02613 0.00436 0.01006 0.00283 0.00895 85 2S -0.18308 -0.00525 0.02149 0.10202 -0.01142 86 2PX 0.00018 -0.01295 0.15212 0.00882 0.07114 87 2PY 0.17763 0.09363 0.07389 0.41302 0.05484 88 2PZ -0.20890 -0.05864 -0.01439 -0.05193 0.00640 89 3S 0.63211 0.79569 -0.00442 -1.19647 0.04478 90 3PX 0.02083 0.23350 -0.20456 -0.73914 -0.09420 91 3PY -0.45095 -0.33660 -0.08795 -0.93629 -0.05504 92 3PZ 0.28684 0.28229 -0.06394 -0.46142 -0.08851 93 4XX 0.01614 0.00729 0.01225 0.02296 -0.00284 94 4YY 0.00607 0.01566 -0.00025 -0.05607 -0.00167 95 4ZZ -0.01692 -0.00736 -0.00272 0.02454 0.01070 96 4XY 0.00136 -0.03610 0.02547 -0.00661 0.01308 97 4XZ 0.03202 0.01441 0.02363 0.01563 0.01707 98 4YZ -0.01577 -0.05231 0.02053 -0.01730 0.01245 99 11 C 1S 0.02618 0.00436 0.01006 -0.00283 0.00896 100 2S -0.18335 -0.00526 0.02157 -0.10189 -0.01145 101 2PX 0.00073 -0.01305 0.15218 -0.00867 0.07133 102 2PY -0.17731 -0.09396 -0.07415 0.41291 -0.05469 103 2PZ -0.20927 -0.05870 -0.01442 0.05199 0.00637 104 3S 0.63318 0.79542 -0.00586 1.19759 0.04420 105 3PX 0.01954 0.23337 -0.20552 0.73941 -0.09519 106 3PY 0.45050 0.33690 0.08877 -0.93602 0.05489 107 3PZ 0.28772 0.28191 -0.06446 0.46146 -0.08853 108 4XX 0.01613 0.00733 0.01225 -0.02297 -0.00286 109 4YY 0.00611 0.01560 -0.00027 0.05610 -0.00165 110 4ZZ -0.01695 -0.00734 -0.00271 -0.02453 0.01068 111 4XY -0.00135 0.03612 -0.02547 -0.00654 -0.01309 112 4XZ 0.03204 0.01444 0.02362 -0.01563 0.01706 113 4YZ 0.01577 0.05233 -0.02053 -0.01721 -0.01247 114 12 C 1S -0.00364 0.00521 -0.00442 0.01244 -0.00370 115 2S -0.17605 0.08618 0.11676 -0.14765 -0.00286 116 2PX -0.41659 -0.21914 0.10491 0.33540 0.05448 117 2PY 0.22960 -0.15285 -0.07227 -0.01597 -0.06698 118 2PZ -0.27846 -0.08743 -0.02434 -0.12360 -0.05952 119 3S 0.19699 -0.49447 0.00120 -0.06486 0.16006 120 3PX 0.69292 0.69063 -0.20519 -0.06773 -0.08303 121 3PY -0.47356 0.59489 -0.02777 0.41784 0.08682 122 3PZ 0.77535 0.49102 0.10533 0.62931 0.13102 123 4XX -0.02388 0.01241 -0.01283 -0.01375 0.00264 124 4YY -0.00046 -0.00932 0.02461 -0.03471 0.00566 125 4ZZ -0.00085 -0.00541 -0.00010 0.03135 -0.01209 126 4XY -0.03312 -0.02533 0.01055 0.02773 -0.00225 127 4XZ -0.03610 0.00902 0.00064 -0.01365 0.00640 128 4YZ -0.01606 -0.00938 0.00112 0.00120 0.00265 129 13 C 1S -0.01431 -0.00145 0.01023 -0.00337 0.00161 130 2S -0.07856 -0.05337 0.08782 0.05474 0.13053 131 2PX 0.00167 0.01244 -0.00145 0.02156 0.23558 132 2PY 0.08167 0.14045 -0.03166 0.15132 0.02862 133 2PZ -0.19757 -0.00084 0.01154 -0.04063 -0.00141 134 3S -0.21564 -0.31082 -0.24854 0.06142 -0.33476 135 3PX 0.06467 -0.22113 0.12724 -0.26926 -0.25736 136 3PY -0.03288 -0.42757 -0.07754 -0.90992 -0.14189 137 3PZ 0.71017 0.01481 -0.13315 0.16198 -0.05259 138 4XX -0.00972 0.01233 0.01485 0.03260 -0.00050 139 4YY -0.00113 -0.03899 -0.00646 0.01820 0.00513 140 4ZZ -0.02405 0.00856 0.01127 -0.04476 0.01805 141 4XY -0.00159 0.01419 -0.05776 0.01104 -0.06494 142 4XZ -0.01087 -0.03289 -0.02161 0.05816 -0.03926 143 4YZ 0.06527 -0.02028 0.01701 -0.00415 0.01556 144 14 C 1S -0.01430 -0.00144 0.01022 0.00339 0.00161 145 2S -0.07861 -0.05340 0.08784 -0.05455 0.13041 146 2PX 0.00133 0.01266 -0.00150 -0.02171 0.23520 147 2PY -0.08152 -0.14037 0.03147 0.15115 -0.02891 148 2PZ -0.19743 -0.00079 0.01144 0.04071 -0.00169 149 3S -0.21590 -0.31078 -0.24811 -0.06280 -0.33425 150 3PX 0.06578 -0.22201 0.12714 0.26954 -0.25608 151 3PY 0.03211 0.42744 0.07867 -0.90883 0.14334 152 3PZ 0.70960 0.01467 -0.13315 -0.16241 -0.05172 153 4XX -0.00972 0.01234 0.01485 -0.03257 -0.00054 154 4YY -0.00112 -0.03900 -0.00643 -0.01825 0.00517 155 4ZZ -0.02406 0.00857 0.01124 0.04479 0.01804 156 4XY 0.00158 -0.01418 0.05776 0.01106 0.06494 157 4XZ -0.01092 -0.03286 -0.02157 -0.05818 -0.03927 158 4YZ -0.06528 0.02027 -0.01703 -0.00414 -0.01560 159 15 C 1S -0.00366 0.00522 -0.00440 -0.01244 -0.00369 160 2S -0.17622 0.08622 0.11659 0.14786 -0.00305 161 2PX -0.41615 -0.21892 0.10516 -0.33524 0.05454 162 2PY -0.22943 0.15288 0.07241 -0.01548 0.06710 163 2PZ -0.27860 -0.08719 -0.02457 0.12331 -0.05987 164 3S 0.19708 -0.49507 0.00090 0.06454 0.16048 165 3PX 0.69183 0.69076 -0.20520 0.06813 -0.08321 166 3PY 0.47340 -0.59515 0.02678 0.41679 -0.08746 167 3PZ 0.77553 0.49047 0.10612 -0.62773 0.13246 168 4XX -0.02386 0.01242 -0.01284 0.01379 0.00265 169 4YY -0.00045 -0.00932 0.02459 0.03468 0.00566 170 4ZZ -0.00091 -0.00542 -0.00008 -0.03136 -0.01211 171 4XY 0.03317 0.02528 -0.01054 0.02774 0.00230 172 4XZ -0.03610 0.00903 0.00062 0.01366 0.00640 173 4YZ 0.01606 0.00937 -0.00111 0.00123 -0.00262 174 16 H 1S 0.18822 -0.11637 0.15093 -0.07373 0.09843 175 2S -0.12490 0.15317 -0.24592 -0.49959 -0.18175 176 17 H 1S 0.18831 -0.11644 0.15088 0.07353 0.09846 177 2S -0.12504 0.15292 -0.24641 0.49978 -0.18196 178 18 H 1S -0.07064 -0.02065 0.08793 0.06264 0.03393 179 2S 0.19749 -0.22025 -0.03792 -0.13064 -0.09548 180 19 H 1S -0.13401 -0.00818 -0.02907 0.24528 -0.17431 181 2S -0.19833 0.24903 0.11650 0.14626 0.40923 182 20 H 1S -0.13396 -0.00801 -0.02889 -0.24510 -0.17431 183 2S -0.19867 0.24942 0.11656 -0.14613 0.40866 184 21 H 1S -0.07054 -0.02052 0.08798 -0.06259 0.03394 185 2S 0.19745 -0.22027 -0.03837 0.13011 -0.09582 186 22 H 1S -0.04970 0.00852 0.28235 -0.21539 0.26241 187 2S -0.31919 -0.06021 -0.05687 0.23127 -0.26267 188 23 H 1S -0.04961 0.00843 0.28222 0.21569 0.26242 189 2S -0.31906 -0.06026 -0.05662 -0.23106 -0.26237 91 92 93 94 95 V V V V V Eigenvalues -- 0.82847 0.84211 0.85443 0.86451 0.88061 1 1 C 1S -0.00555 0.01307 -0.00609 -0.01816 -0.01110 2 2S 0.01052 -0.08951 0.07034 0.16395 0.50887 3 2PX 0.16007 0.04960 -0.02524 -0.00038 -0.05708 4 2PY 0.21290 0.00315 -0.25657 -0.16925 -0.25841 5 2PZ -0.22364 0.06590 -0.29153 -0.28242 -0.26215 6 3S -0.49653 0.22650 0.51345 0.15070 -1.11508 7 3PX -0.46905 -0.01285 0.26983 0.03931 0.20852 8 3PY -0.67141 -0.03880 1.14464 0.74909 0.63951 9 3PZ 0.70239 -0.10984 1.05203 0.96437 0.66025 10 4XX -0.00823 0.04416 0.01359 0.03292 0.03620 11 4YY -0.03562 -0.02123 0.04281 0.02818 0.02243 12 4ZZ 0.02532 0.01328 -0.01394 -0.03297 0.01204 13 4XY -0.00247 -0.00437 -0.00558 -0.00750 -0.06121 14 4XZ 0.00360 0.06527 -0.00796 -0.00125 -0.00483 15 4YZ 0.01166 0.03942 -0.01747 -0.02246 -0.06394 16 2 O 1S 0.00235 0.00789 0.00258 0.00554 0.01246 17 2S -0.06270 -0.25677 0.07327 0.04128 0.02686 18 2PX 0.06075 -0.11460 -0.02359 -0.03453 -0.04237 19 2PY 0.03998 0.16505 -0.01476 0.06038 0.12147 20 2PZ -0.06618 -0.17192 0.01514 0.05713 0.02551 21 3S 0.00321 0.07243 -0.34710 -0.21157 -0.26348 22 3PX 0.04184 0.21801 0.09165 0.12894 0.10916 23 3PY -0.00206 -0.33391 -0.07960 -0.14754 -0.35106 24 3PZ -0.01085 0.08121 -0.06615 -0.10996 -0.06767 25 4XX -0.02109 -0.09697 0.02556 -0.00551 0.02676 26 4YY -0.00186 -0.08518 0.00194 0.01519 -0.03010 27 4ZZ -0.02921 -0.06050 0.03117 0.02675 0.02922 28 4XY -0.00178 -0.04625 0.02086 0.02518 0.00423 29 4XZ -0.01736 -0.02516 0.00442 0.02156 0.01476 30 4YZ -0.00597 -0.01658 0.00429 0.00000 0.01255 31 3 C 1S 0.00000 -0.03048 0.00000 0.00000 0.01446 32 2S 0.00012 -0.59696 0.00008 0.00013 -0.09437 33 2PX 0.00015 0.17545 0.00010 -0.00011 -0.01067 34 2PY 0.01727 0.00003 0.01735 -0.05022 -0.00004 35 2PZ -0.00010 -0.18820 -0.00003 0.00013 -0.08004 36 3S -0.00039 1.37955 -0.00025 -0.00029 0.36090 37 3PX 0.00003 -0.66896 -0.00017 0.00035 -0.14464 38 3PY -0.02806 -0.00009 -0.07675 0.08532 0.00014 39 3PZ 0.00038 0.38110 0.00020 -0.00029 -0.06943 40 4XX -0.00007 0.03394 0.00000 -0.00001 0.00607 41 4YY -0.00004 -0.03073 -0.00001 0.00001 0.02722 42 4ZZ 0.00010 -0.08760 0.00001 0.00000 -0.00014 43 4XY -0.00196 0.00000 -0.00514 0.02282 0.00002 44 4XZ 0.00003 0.00033 0.00001 -0.00001 -0.04137 45 4YZ 0.01319 0.00002 0.00650 0.01570 0.00000 46 4 C 1S 0.00555 0.01307 0.00609 0.01816 -0.01109 47 2S -0.01076 -0.08961 -0.07053 -0.16374 0.50891 48 2PX -0.16019 0.04948 0.02514 0.00046 -0.05706 49 2PY 0.21290 -0.00318 -0.25667 -0.16923 0.25846 50 2PZ 0.22357 0.06624 0.29154 0.28220 -0.26230 51 3S 0.49642 0.22684 -0.51303 -0.15134 -1.11550 52 3PX 0.46921 -0.01254 -0.26967 -0.03934 0.20848 53 3PY -0.67157 0.03895 1.14501 0.74904 -0.63957 54 3PZ -0.70248 -0.11079 -1.05191 -0.96393 0.66058 55 4XX 0.00817 0.04416 -0.01360 -0.03289 0.03620 56 4YY 0.03559 -0.02121 -0.04282 -0.02816 0.02241 57 4ZZ -0.02527 0.01326 0.01393 0.03294 0.01207 58 4XY -0.00255 0.00435 -0.00560 -0.00749 0.06121 59 4XZ -0.00363 0.06527 0.00795 0.00120 -0.00483 60 4YZ 0.01168 -0.03943 -0.01751 -0.02243 0.06396 61 5 H 1S 0.00027 -0.26634 0.00001 -0.00004 0.15205 62 2S -0.00045 -0.39453 -0.00011 0.00032 -0.15712 63 6 H 1S -0.00030 0.03580 -0.00006 -0.00002 0.07717 64 2S 0.00046 -0.04225 0.00024 -0.00017 -0.07137 65 7 O 1S -0.00237 0.00789 -0.00258 -0.00554 0.01245 66 2S 0.06285 -0.25676 -0.07321 -0.04116 0.02687 67 2PX -0.06070 -0.11463 0.02357 0.03452 -0.04241 68 2PY 0.04029 -0.16496 -0.01466 0.06050 -0.12144 69 2PZ 0.06631 -0.17193 -0.01510 -0.05704 0.02555 70 3S -0.00301 0.07251 0.34702 0.21154 -0.26360 71 3PX -0.04199 0.21798 -0.09157 -0.12902 0.10918 72 3PY -0.00253 0.33381 -0.07977 -0.14772 0.35099 73 3PZ 0.01071 0.08138 0.06611 0.10989 -0.06773 74 4XX 0.02117 -0.09697 -0.02555 0.00555 0.02677 75 4YY 0.00195 -0.08519 -0.00190 -0.01517 -0.03011 76 4ZZ 0.02917 -0.06048 -0.03116 -0.02669 0.02921 77 4XY -0.00182 0.04626 0.02085 0.02517 -0.00423 78 4XZ 0.01733 -0.02514 -0.00443 -0.02153 0.01475 79 4YZ -0.00593 0.01656 0.00430 -0.00001 -0.01256 80 8 H 1S -0.08084 0.10603 0.17418 0.29640 -0.25886 81 2S -0.10136 -0.29805 -1.03432 -1.00987 1.13665 82 9 H 1S 0.08099 0.10596 -0.17411 -0.29657 -0.25878 83 2S 0.10132 -0.29742 1.03403 1.01045 1.13634 84 10 C 1S -0.01252 0.00742 -0.02295 0.00879 -0.01514 85 2S 0.12984 -0.05234 0.05660 -0.18440 0.32583 86 2PX -0.04680 -0.08927 -0.20736 0.12076 -0.21630 87 2PY 0.15766 -0.05212 -0.41076 -0.00770 -0.21219 88 2PZ 0.15122 -0.08409 -0.50879 0.14715 -0.32004 89 3S -0.51781 -0.45138 1.39794 0.44316 -0.68933 90 3PX 0.14545 0.06088 1.00495 -0.16220 0.50449 91 3PY -0.33221 0.38291 1.91071 -0.43868 0.43489 92 3PZ -0.87717 0.24455 1.78140 -0.55190 0.66210 93 4XX 0.01216 0.01700 -0.00080 -0.01958 0.00475 94 4YY -0.01565 -0.02276 0.07392 -0.00895 0.02094 95 4ZZ -0.00368 -0.00331 -0.02506 -0.00453 0.02014 96 4XY -0.00728 -0.01076 -0.02289 0.00063 -0.06037 97 4XZ -0.01642 0.01266 -0.02858 -0.00399 -0.02715 98 4YZ -0.01609 0.04152 -0.02384 0.00128 -0.04447 99 11 C 1S 0.01250 0.00743 0.02295 -0.00877 -0.01513 100 2S -0.12975 -0.05242 -0.05664 0.18457 0.32587 101 2PX 0.04664 -0.08922 0.20724 -0.12040 -0.21601 102 2PY 0.15777 0.05245 -0.41086 -0.00787 0.21228 103 2PZ -0.15137 -0.08413 0.50876 -0.14666 -0.31980 104 3S 0.51879 -0.45056 -1.39792 -0.44343 -0.68989 105 3PX -0.14465 0.06100 -1.00453 0.16102 0.50328 106 3PY -0.33231 -0.38384 1.91110 -0.43819 -0.43542 107 3PZ 0.87793 0.24538 -1.78116 0.55066 0.66119 108 4XX -0.01217 0.01699 0.00078 0.01960 0.00477 109 4YY 0.01566 -0.02272 -0.07392 0.00900 0.02090 110 4ZZ 0.00371 -0.00332 0.02507 0.00447 0.02015 111 4XY -0.00720 0.01073 -0.02290 0.00054 0.06034 112 4XZ 0.01640 0.01267 0.02857 0.00402 -0.02712 113 4YZ -0.01600 -0.04156 -0.02387 0.00123 0.04445 114 12 C 1S -0.00195 0.00722 0.00749 -0.00085 0.00291 115 2S 0.10203 0.10683 -0.08921 0.16353 0.10408 116 2PX -0.12940 -0.06485 0.00978 -0.08900 0.07352 117 2PY -0.17582 0.05011 -0.00851 -0.09074 -0.05742 118 2PZ 0.30204 0.03934 -0.01406 0.21702 -0.02441 119 3S -1.31994 -0.35553 0.73770 -0.80227 -0.42129 120 3PX 0.67171 -0.13439 -0.15286 -0.31725 0.01931 121 3PY 0.65146 -0.02264 -0.58086 0.31006 0.33039 122 3PZ -1.45811 -0.65575 0.10351 -0.98678 -0.13602 123 4XX -0.02343 -0.03791 -0.02421 -0.01859 -0.00874 124 4YY 0.02315 0.00522 0.06657 0.02637 0.01667 125 4ZZ -0.02705 0.05429 -0.03688 0.00014 -0.00777 126 4XY 0.02865 0.01261 0.03636 0.01204 -0.01118 127 4XZ -0.02592 -0.01194 0.00299 -0.00971 0.01888 128 4YZ 0.00488 0.00139 0.02490 -0.01340 -0.01343 129 13 C 1S 0.00423 -0.02741 -0.01106 -0.00277 0.00149 130 2S -0.03674 0.15838 0.09051 0.01932 -0.21347 131 2PX 0.44410 0.14802 0.10360 -0.52818 0.14469 132 2PY -0.27025 0.00843 -0.08191 -0.16918 -0.08286 133 2PZ 0.19329 -0.03831 0.05199 0.28769 -0.07677 134 3S 0.28399 0.53426 -0.55436 0.23663 0.68679 135 3PX -1.76147 -0.16831 -0.19832 1.46100 -0.22991 136 3PY 1.12552 0.41227 0.23537 0.90732 0.27331 137 3PZ -1.14770 0.00207 -0.22336 -1.25968 0.15437 138 4XX 0.01212 -0.05665 -0.00739 0.00071 -0.03144 139 4YY -0.02303 0.07265 -0.00058 -0.01251 -0.01316 140 4ZZ 0.01968 0.00385 -0.00272 0.01608 0.02265 141 4XY -0.00126 -0.00803 -0.00340 0.01746 -0.00909 142 4XZ 0.03416 0.05677 -0.02079 0.05666 0.00052 143 4YZ -0.00517 -0.03142 0.00385 -0.00884 0.02758 144 14 C 1S -0.00422 -0.02740 0.01106 0.00279 0.00149 145 2S 0.03648 0.15845 -0.09063 -0.01917 -0.21341 146 2PX -0.44441 0.14802 -0.10354 0.52774 0.14527 147 2PY -0.27030 -0.00860 -0.08190 -0.16904 0.08272 148 2PZ -0.19325 -0.03857 -0.05201 -0.28772 -0.07694 149 3S -0.28382 0.53360 0.55461 -0.23757 0.68657 150 3PX 1.76179 -0.16773 0.19818 -1.46035 -0.23124 151 3PY 1.12583 -0.41159 0.23532 0.90695 -0.27248 152 3PZ 1.14753 0.00328 0.22338 1.26027 0.15502 153 4XX -0.01209 -0.05664 0.00740 -0.00067 -0.03147 154 4YY 0.02296 0.07265 0.00056 0.01254 -0.01313 155 4ZZ -0.01968 0.00383 0.00270 -0.01611 0.02265 156 4XY -0.00130 0.00802 -0.00340 0.01740 0.00912 157 4XZ -0.03415 0.05671 0.02078 -0.05666 0.00047 158 4YZ -0.00513 0.03144 0.00385 -0.00880 -0.02759 159 15 C 1S 0.00196 0.00720 -0.00750 0.00083 0.00289 160 2S -0.10215 0.10686 0.08911 -0.16348 0.10428 161 2PX 0.12917 -0.06498 -0.00978 0.08900 0.07352 162 2PY -0.17530 -0.05040 -0.00846 -0.09117 0.05722 163 2PZ -0.30212 0.03904 0.01407 -0.21696 -0.02462 164 3S 1.31958 -0.35447 -0.73754 0.80299 -0.42231 165 3PX -0.67038 -0.13457 0.15278 0.31720 0.01990 166 3PY 0.64951 0.02392 -0.58107 0.31160 -0.33016 167 3PZ 1.45881 -0.65443 -0.10368 0.98683 -0.13511 168 4XX 0.02345 -0.03785 0.02422 0.01863 -0.00870 169 4YY -0.02319 0.00517 -0.06660 -0.02641 0.01660 170 4ZZ 0.02702 0.05430 0.03689 -0.00012 -0.00774 171 4XY 0.02866 -0.01254 0.03633 0.01202 0.01122 172 4XZ 0.02592 -0.01191 -0.00299 0.00973 0.01889 173 4YZ 0.00490 -0.00140 0.02488 -0.01347 0.01345 174 16 H 1S -0.02218 0.18746 -0.33068 0.12671 -0.30974 175 2S -0.20950 0.14391 1.68738 -0.55084 1.02909 176 17 H 1S 0.02180 0.18751 0.33066 -0.12643 -0.30961 177 2S 0.21040 0.14434 -1.68734 0.54958 1.02844 178 18 H 1S 0.12862 -0.00636 0.09358 0.03776 0.09076 179 2S -0.41221 0.07162 -0.04038 -0.16054 -0.21925 180 19 H 1S 0.04829 -0.26717 -0.07577 0.13761 -0.10311 181 2S 0.75538 -0.00785 0.29972 -0.96016 0.01207 182 20 H 1S -0.04811 -0.26730 0.07572 -0.13717 -0.10344 183 2S -0.75567 -0.00807 -0.29966 0.95981 0.01331 184 21 H 1S -0.12853 -0.00666 -0.09361 -0.03805 0.09054 185 2S 0.41117 0.07244 0.04022 0.16180 -0.21866 186 22 H 1S 0.04176 -0.34989 0.07776 -0.18915 0.05081 187 2S -0.37835 0.12338 -0.04883 1.11176 -0.40891 188 23 H 1S -0.04178 -0.34969 -0.07771 0.18897 0.05110 189 2S 0.37847 0.12304 0.04865 -1.11115 -0.40982 96 97 98 99 100 V V V V V Eigenvalues -- 0.88445 0.88520 0.88709 0.89806 0.91385 1 1 C 1S 0.00211 0.00506 -0.00752 0.00499 0.00010 2 2S -0.38766 0.07625 0.24999 -0.04359 -0.02164 3 2PX -0.07892 -0.03306 0.00769 0.06986 0.09929 4 2PY 0.17740 -0.06332 -0.09102 0.09665 0.06935 5 2PZ 0.28377 0.02765 -0.37508 -0.00123 0.07426 6 3S 0.95869 -0.38878 -0.66128 0.07885 0.08789 7 3PX 0.02937 0.06414 0.00026 -0.17656 -0.23623 8 3PY -0.45128 -0.18948 0.25416 -0.22459 -0.08141 9 3PZ -0.50461 -0.13185 1.04747 -0.11537 -0.15129 10 4XX -0.02985 0.00406 0.03130 -0.00711 -0.01457 11 4YY -0.01578 0.00185 0.01785 0.01745 0.00753 12 4ZZ -0.01386 -0.00122 -0.01030 -0.02253 0.00087 13 4XY 0.04684 -0.00532 -0.00207 0.00816 0.01544 14 4XZ 0.02056 -0.00468 -0.01018 -0.02421 0.03473 15 4YZ 0.06421 0.00598 -0.02101 -0.02717 -0.00865 16 2 O 1S -0.00681 -0.00105 0.00073 -0.00210 -0.00073 17 2S 0.00078 0.05291 0.03019 0.01561 -0.14977 18 2PX 0.03399 0.01091 -0.04325 0.03431 0.00866 19 2PY -0.08501 -0.05195 0.00106 -0.07889 0.21777 20 2PZ -0.00067 -0.01235 0.07994 0.00878 0.02336 21 3S 0.09169 -0.03731 -0.20304 0.10005 0.12759 22 3PX 0.00612 -0.02929 0.07829 -0.10978 -0.15100 23 3PY 0.22977 0.09329 -0.01148 0.19053 -0.31807 24 3PZ 0.02308 0.02438 -0.18136 0.02387 -0.09458 25 4XX -0.01653 0.00948 0.01002 0.01981 -0.04626 26 4YY 0.04378 0.01090 -0.00334 -0.01389 -0.03787 27 4ZZ -0.02393 0.02896 0.01240 0.02531 -0.07807 28 4XY -0.00011 -0.00688 0.01239 0.01127 -0.02716 29 4XZ -0.01938 0.00897 0.00562 0.01336 -0.01234 30 4YZ -0.01469 0.00482 0.00057 0.02857 -0.02711 31 3 C 1S -0.00138 -0.00002 0.00001 -0.01681 0.00577 32 2S 0.11503 0.00194 -0.00003 0.34436 -0.95893 33 2PX 0.15848 0.00255 0.00019 -0.02499 -0.45038 34 2PY -0.00032 0.01365 0.05815 0.00000 -0.00002 35 2PZ -0.09563 -0.00157 -0.00022 0.31330 -0.25012 36 3S -0.37855 -0.00629 0.00004 -0.90179 2.60471 37 3PX -0.29841 -0.00492 -0.00056 0.21149 0.67199 38 3PY 0.00015 0.00325 -0.18115 -0.00008 0.00013 39 3PZ 0.50210 0.00822 0.00060 -0.63958 0.15567 40 4XX 0.00014 0.00002 0.00001 0.01002 -0.01700 41 4YY -0.02862 -0.00046 -0.00003 0.05320 -0.06144 42 4ZZ 0.02660 0.00042 0.00004 -0.06110 0.01459 43 4XY -0.00001 0.00197 -0.01273 -0.00001 0.00002 44 4XZ 0.04069 0.00067 0.00002 0.00321 -0.00552 45 4YZ 0.00029 -0.01886 0.01640 0.00002 -0.00001 46 4 C 1S 0.00228 -0.00498 0.00751 0.00498 0.00012 47 2S -0.38448 -0.08918 -0.25023 -0.04360 -0.02178 48 2PX -0.07990 0.03045 -0.00796 0.06993 0.09926 49 2PY -0.17528 -0.06937 -0.09114 -0.09683 -0.06929 50 2PZ 0.28384 -0.01801 0.37536 -0.00120 0.07431 51 3S 0.94333 0.42089 0.66201 0.07888 0.08810 52 3PX 0.03145 -0.06326 0.00014 -0.17656 -0.23618 53 3PY 0.45777 -0.17396 0.25454 0.22501 0.08133 54 3PZ -0.50678 0.11459 -1.04772 -0.11509 -0.15170 55 4XX -0.02967 -0.00509 -0.03131 -0.00712 -0.01460 56 4YY -0.01568 -0.00236 -0.01786 0.01742 0.00753 57 4ZZ -0.01388 0.00074 0.01029 -0.02249 0.00088 58 4XY -0.04664 -0.00687 -0.00209 -0.00815 -0.01544 59 4XZ 0.02037 0.00538 0.01023 -0.02419 0.03470 60 4YZ -0.06436 0.00383 -0.02110 0.02715 0.00866 61 5 H 1S -0.00474 -0.00012 0.00014 -0.39980 0.39562 62 2S -0.32187 -0.00519 -0.00062 1.09911 -0.93601 63 6 H 1S -0.05163 -0.00074 0.00004 -0.12112 0.34701 64 2S 0.41065 0.00670 0.00041 0.03809 -1.26437 65 7 O 1S -0.00684 0.00083 -0.00073 -0.00209 -0.00073 66 2S 0.00259 -0.05289 -0.03021 0.01551 -0.14967 67 2PX 0.03431 -0.00969 0.04327 0.03442 0.00860 68 2PY 0.08675 -0.04922 0.00103 0.07885 -0.21769 69 2PZ -0.00102 0.01227 -0.07994 0.00861 0.02341 70 3S 0.09001 0.04038 0.20291 0.10012 0.12744 71 3PX 0.00521 0.02937 -0.07812 -0.10974 -0.15105 72 3PY -0.23287 0.08567 -0.01143 -0.19049 0.31795 73 3PZ 0.02360 -0.02352 0.18133 0.02407 -0.09463 74 4XX -0.01616 -0.01003 -0.01006 0.01977 -0.04620 75 4YY 0.04411 -0.00946 0.00339 -0.01388 -0.03787 76 4ZZ -0.02296 -0.02975 -0.01244 0.02527 -0.07804 77 4XY 0.00034 -0.00688 0.01240 -0.01127 0.02717 78 4XZ -0.01909 -0.00961 -0.00566 0.01333 -0.01234 79 4YZ 0.01454 0.00530 0.00060 -0.02858 0.02711 80 8 H 1S 0.24822 0.01300 0.27873 -0.07537 -0.00253 81 2S -0.92000 0.02748 -0.95962 -0.06874 -0.14613 82 9 H 1S 0.24868 -0.00467 -0.27847 -0.07561 -0.00257 83 2S -0.91980 -0.05858 0.95895 -0.06850 -0.14590 84 10 C 1S -0.01243 -0.00136 0.00701 -0.00839 -0.00500 85 2S -0.10232 0.10070 -0.11908 0.22247 -0.10240 86 2PX -0.22377 0.18248 0.33416 -0.08947 0.06201 87 2PY -0.10469 -0.11096 -0.16610 -0.19092 0.06338 88 2PZ -0.26115 0.19840 0.27822 -0.25472 -0.00496 89 3S 0.12659 -1.06105 0.04497 -0.90036 0.46190 90 3PX 0.60785 -1.29060 -1.38338 0.31142 0.05053 91 3PY 0.26851 0.62456 1.08522 0.73561 -0.14616 92 3PZ 0.65978 -1.22183 -1.13647 0.67312 0.08956 93 4XX -0.00041 -0.02078 -0.02333 0.04777 0.01913 94 4YY -0.02608 0.02093 0.01022 -0.00918 -0.01480 95 4ZZ 0.02294 -0.02042 -0.01904 -0.00779 -0.02188 96 4XY -0.03466 -0.00853 0.03019 -0.00218 0.02179 97 4XZ -0.02722 -0.03881 -0.00108 -0.00086 0.00502 98 4YZ -0.03853 -0.00443 0.02877 0.00364 -0.01500 99 11 C 1S -0.01247 0.00094 -0.00704 -0.00839 -0.00500 100 2S -0.09864 -0.10426 0.11902 0.22261 -0.10252 101 2PX -0.21707 -0.18981 -0.33474 -0.08960 0.06204 102 2PY 0.10865 -0.10742 -0.16570 0.19095 -0.06368 103 2PZ -0.25406 -0.20701 -0.27890 -0.25474 -0.00489 104 3S 0.08941 1.06507 -0.04534 -0.90067 0.46173 105 3PX 0.56187 1.31012 1.38485 0.31200 0.05057 106 3PY -0.29142 0.61508 1.08402 -0.73552 0.14772 107 3PZ 0.61679 1.24305 1.13803 0.67328 0.08955 108 4XX -0.00109 0.02074 0.02333 0.04777 0.01912 109 4YY -0.02536 -0.02179 -0.01028 -0.00917 -0.01483 110 4ZZ 0.02222 0.02118 0.01912 -0.00777 -0.02186 111 4XY 0.03488 -0.00741 0.03028 0.00217 -0.02178 112 4XZ -0.02850 0.03787 0.00102 -0.00086 0.00504 113 4YZ 0.03862 -0.00315 0.02884 -0.00364 0.01501 114 12 C 1S 0.00172 0.02139 -0.02360 0.01639 0.00614 115 2S -0.16775 -0.37635 0.21025 -0.23062 -0.11121 116 2PX -0.05284 -0.12857 -0.11754 -0.05368 0.01981 117 2PY -0.19843 -0.62099 0.14187 -0.23604 -0.26349 118 2PZ -0.04135 -0.12083 -0.21385 0.06374 -0.02682 119 3S -0.05868 -0.01043 -1.22511 0.36658 0.31417 120 3PX 0.16347 0.88435 0.94885 -0.23004 0.03683 121 3PY 0.68076 1.87427 -0.13559 0.79219 0.44596 122 3PZ 0.04194 0.93877 1.13543 -0.41080 0.33636 123 4XX -0.01938 -0.06480 0.01692 -0.05982 -0.03331 124 4YY 0.00788 0.07720 -0.04748 0.01932 0.04421 125 4ZZ -0.02809 -0.06094 0.02153 0.01070 -0.02963 126 4XY -0.00757 -0.03117 -0.04843 0.01337 -0.00576 127 4XZ -0.02243 -0.02837 -0.00815 -0.03226 -0.00732 128 4YZ -0.03190 -0.05473 -0.02211 0.00044 -0.01768 129 13 C 1S -0.00450 0.00096 -0.00613 -0.00794 0.01277 130 2S -0.25182 -0.11450 0.07346 0.11594 0.04810 131 2PX 0.16287 -0.01438 0.31264 -0.45791 -0.26028 132 2PY -0.05596 0.04101 0.17684 -0.02623 -0.05503 133 2PZ -0.20737 -0.24395 -0.06668 0.10699 -0.08731 134 3S 0.65308 0.53389 -0.30374 0.28212 -0.28331 135 3PX -0.12313 0.05324 -0.62381 0.85920 0.44131 136 3PY 0.10686 -0.60678 -0.91159 0.16114 -0.14833 137 3PZ 0.22317 0.89850 0.51355 -0.35073 0.06882 138 4XX -0.02779 -0.01927 -0.02329 0.00421 0.02412 139 4YY -0.04036 -0.00744 0.01677 0.03688 -0.02475 140 4ZZ 0.01927 0.02131 0.00678 -0.01725 0.01584 141 4XY -0.06985 0.01024 -0.01411 0.01027 0.01562 142 4XZ -0.01379 0.00980 -0.03613 0.07606 0.01082 143 4YZ 0.05808 0.04981 0.00003 0.00326 0.02985 144 14 C 1S -0.00448 -0.00110 0.00612 -0.00793 0.01276 145 2S -0.25537 0.10597 -0.07405 0.11589 0.04856 146 2PX 0.16359 0.01997 -0.31196 -0.45795 -0.26010 147 2PY 0.05423 0.04289 0.17702 0.02630 0.05491 148 2PZ -0.21581 0.23679 0.06634 0.10726 -0.08719 149 3S 0.67005 -0.51187 0.30565 0.28228 -0.28404 150 3PX -0.12479 -0.05746 0.62295 0.85880 0.44110 151 3PY -0.08422 -0.60980 -0.91200 -0.16144 0.14833 152 3PZ 0.25438 -0.89041 -0.51327 -0.35195 0.06867 153 4XX -0.02848 0.01833 0.02320 0.00429 0.02407 154 4YY -0.04052 0.00604 -0.01684 0.03687 -0.02471 155 4ZZ 0.01996 -0.02060 -0.00672 -0.01732 0.01592 156 4XY 0.06951 0.01262 -0.01396 -0.01031 -0.01561 157 4XZ -0.01355 -0.01031 0.03607 0.07608 0.01081 158 4YZ -0.05976 0.04778 -0.00008 -0.00322 -0.02986 159 15 C 1S 0.00241 -0.02133 0.02360 0.01638 0.00616 160 2S -0.18017 0.37049 -0.21046 -0.23060 -0.11141 161 2PX -0.05723 0.12671 0.11766 -0.05373 0.02011 162 2PY 0.21897 -0.61408 0.14223 0.23603 0.26376 163 2PZ -0.04590 0.11920 0.21378 0.06389 -0.02674 164 3S -0.06099 0.00865 1.22484 0.36641 0.31518 165 3PX 0.19512 -0.87826 -0.94888 -0.23012 0.03598 166 3PY -0.74350 1.85113 -0.13657 -0.79215 -0.44668 167 3PZ 0.07567 -0.93606 -1.13562 -0.41161 0.33584 168 4XX -0.02151 0.06411 -0.01699 -0.05984 -0.03333 169 4YY 0.01035 -0.07684 0.04754 0.01930 0.04422 170 4ZZ -0.03009 0.05991 -0.02160 0.01072 -0.02961 171 4XY 0.00871 -0.03091 -0.04838 -0.01337 0.00581 172 4XZ -0.02339 0.02759 0.00813 -0.03227 -0.00727 173 4YZ 0.03376 -0.05366 -0.02202 -0.00047 0.01770 174 16 H 1S -0.17091 0.01809 0.15760 0.01109 0.02025 175 2S 0.73310 -0.46088 -0.73479 0.78902 -0.07391 176 17 H 1S -0.17017 -0.02380 -0.15812 0.01104 0.02040 177 2S 0.71664 0.48480 0.73662 0.78941 -0.07454 178 18 H 1S 0.12387 0.40220 -0.18805 0.23016 0.27813 179 2S -0.55177 -1.61497 0.50117 -0.77213 -0.58607 180 19 H 1S -0.21747 -0.04987 -0.24319 0.08344 0.20445 181 2S 0.08929 -0.21099 0.71003 -0.71843 -0.26897 182 20 H 1S -0.21958 0.04259 0.24256 0.08373 0.20402 183 2S 0.08513 0.21386 -0.70957 -0.71853 -0.26821 184 21 H 1S 0.13702 -0.39777 0.18838 0.23009 0.27835 185 2S -0.60506 1.59571 -0.50231 -0.77210 -0.58674 186 22 H 1S 0.31754 0.02130 0.13476 -0.28653 0.11522 187 2S -0.62833 -0.38003 -0.35723 0.78213 0.15321 188 23 H 1S 0.31864 -0.01027 -0.13410 -0.28657 0.11506 189 2S -0.64265 0.35837 0.35543 0.78237 0.15329 101 102 103 104 105 V V V V V Eigenvalues -- 0.93717 0.94030 0.95124 1.00794 1.01439 1 1 C 1S 0.00267 -0.01082 -0.00759 0.01581 0.00961 2 2S -0.10706 0.13804 0.13138 0.81385 0.22064 3 2PX -0.06137 -0.16639 0.02444 -0.07806 -0.09889 4 2PY -0.19527 -0.15613 0.10322 0.03334 0.02827 5 2PZ 0.04452 -0.26764 -0.05806 -0.15581 -0.01251 6 3S 0.20898 -0.52829 -0.06335 -2.52046 -0.45012 7 3PX -0.08584 0.23861 0.23155 0.17157 0.29534 8 3PY 0.48156 0.37783 -0.16669 -0.52519 0.13319 9 3PZ -0.86706 0.52202 0.70209 0.65599 0.06522 10 4XX 0.00893 0.02845 0.01589 0.03443 -0.02803 11 4YY 0.01794 0.00032 -0.00432 0.01008 0.03106 12 4ZZ -0.04431 -0.01211 0.01945 0.05307 0.02126 13 4XY -0.00076 0.05106 0.00019 0.00128 -0.05776 14 4XZ -0.05264 -0.01025 0.03491 0.04570 -0.03850 15 4YZ -0.02792 -0.04383 0.02372 0.00558 0.03673 16 2 O 1S -0.00955 -0.00330 0.00861 0.00800 -0.00259 17 2S -0.01601 0.02263 -0.14142 0.09453 0.01583 18 2PX 0.13677 0.00486 0.10117 0.01811 0.06761 19 2PY -0.01967 -0.14679 0.11216 0.05904 0.12805 20 2PZ -0.04473 0.05104 -0.21539 -0.06361 -0.01979 21 3S 0.33795 -0.02797 0.05014 -0.15604 0.13129 22 3PX -0.38648 0.03515 0.11431 -0.00532 -0.11034 23 3PY 0.05754 0.16088 -0.18421 -0.08455 -0.12175 24 3PZ -0.00701 -0.08102 0.32895 0.00419 0.05005 25 4XX -0.01956 0.00608 -0.07367 0.04055 0.00254 26 4YY -0.03562 0.02176 -0.00345 0.06418 -0.00326 27 4ZZ 0.03848 0.00228 -0.02744 -0.00582 0.00206 28 4XY 0.01738 0.00596 -0.00548 -0.01223 0.04040 29 4XZ 0.00824 -0.02935 -0.01720 0.04140 0.00386 30 4YZ 0.00030 -0.02008 -0.00114 -0.02117 0.01866 31 3 C 1S 0.00000 0.00221 0.00000 -0.00001 0.03072 32 2S -0.00016 -0.06397 0.00044 -0.00011 0.54752 33 2PX 0.00031 0.13802 0.00032 0.00004 0.00649 34 2PY 0.01831 0.00004 -0.11486 -0.01187 -0.00001 35 2PZ -0.00001 0.00184 0.00016 0.00003 -0.00338 36 3S -0.00013 -0.07002 -0.00146 0.00020 -1.11908 37 3PX 0.00016 0.08389 -0.00007 -0.00013 0.03336 38 3PY -0.12194 -0.00014 0.44937 -0.05067 -0.00011 39 3PZ 0.00073 0.31991 0.00010 0.00000 -0.07544 40 4XX -0.00002 -0.01129 0.00000 0.00002 -0.00460 41 4YY -0.00012 -0.05704 -0.00001 -0.00001 0.05957 42 4ZZ 0.00009 0.04846 0.00004 -0.00003 0.04991 43 4XY 0.04029 -0.00012 0.04891 -0.01248 0.00002 44 4XZ 0.00004 0.02222 0.00003 0.00002 -0.00607 45 4YZ -0.02861 0.00007 -0.01800 0.01850 0.00000 46 4 C 1S -0.00272 -0.01083 0.00757 -0.01582 0.00960 47 2S 0.10760 0.13788 -0.13117 -0.81403 0.22011 48 2PX 0.06070 -0.16654 -0.02480 0.07809 -0.09884 49 2PY -0.19454 0.15666 0.10346 0.03331 -0.02834 50 2PZ -0.04570 -0.26764 0.05748 0.15583 -0.01250 51 3S -0.21109 -0.52802 0.06229 2.52074 -0.44837 52 3PX 0.08682 0.23855 -0.23101 -0.17178 0.29567 53 3PY 0.47973 -0.37914 -0.16716 -0.52496 -0.13334 54 3PZ 0.86943 0.51999 -0.70118 -0.65618 0.06568 55 4XX -0.00879 0.02852 -0.01585 -0.03440 -0.02808 56 4YY -0.01795 0.00036 0.00432 -0.01009 0.03106 57 4ZZ 0.04426 -0.01225 -0.01945 -0.05312 0.02126 58 4XY -0.00098 -0.05105 0.00008 0.00125 0.05777 59 4XZ 0.05260 -0.01042 -0.03498 -0.04568 -0.03849 60 4YZ -0.02774 0.04390 0.02382 0.00558 -0.03675 61 5 H 1S 0.00019 0.09055 -0.00013 -0.00014 0.13878 62 2S -0.00087 -0.37471 0.00029 0.00015 0.11012 63 6 H 1S -0.00036 -0.15621 -0.00032 0.00001 0.00058 64 2S 0.00032 0.14026 0.00067 -0.00002 0.32626 65 7 O 1S 0.00954 -0.00333 -0.00862 -0.00800 -0.00260 66 2S 0.01615 0.02234 0.14152 -0.09460 0.01576 67 2PX -0.13684 0.00563 -0.10100 -0.01813 0.06748 68 2PY -0.01900 0.14671 0.11257 0.05909 -0.12793 69 2PZ 0.04495 0.05049 0.21539 0.06374 -0.01976 70 3S -0.33820 -0.02663 -0.05001 0.15608 0.13107 71 3PX 0.38680 0.03376 -0.11439 0.00532 -0.10995 72 3PY 0.05680 -0.16088 -0.18485 -0.08458 0.12158 73 3PZ 0.00668 -0.08051 -0.32897 -0.00441 0.05016 74 4XX 0.01960 0.00588 0.07372 -0.04060 0.00254 75 4YY 0.03573 0.02161 0.00350 -0.06417 -0.00330 76 4ZZ -0.03845 0.00241 0.02749 0.00580 0.00203 77 4XY 0.01736 -0.00602 -0.00554 -0.01219 -0.04040 78 4XZ -0.00836 -0.02935 0.01713 -0.04140 0.00379 79 4YZ 0.00041 0.02008 -0.00113 -0.02119 -0.01869 80 8 H 1S 0.27698 -0.18609 -0.14096 -0.02199 0.14037 81 2S 0.01242 0.70139 -0.15862 -0.71352 0.12549 82 9 H 1S -0.27779 -0.18518 0.14062 0.02191 0.14010 83 2S -0.00943 0.70104 0.15992 0.71337 0.12591 84 10 C 1S 0.00094 0.00626 -0.00336 0.01327 -0.01530 85 2S -0.33708 -0.25479 0.25415 0.46604 -0.49433 86 2PX 0.00621 0.10582 0.04306 -0.12727 -0.10294 87 2PY 0.06973 0.08058 -0.27268 0.27566 0.19437 88 2PZ 0.04238 0.18655 0.06761 -0.14925 0.07536 89 3S 1.22567 0.00790 -0.85480 -1.85122 1.67057 90 3PX 0.12567 -0.23124 -0.91481 1.13476 0.08773 91 3PY -0.46919 0.26285 2.07371 -2.34342 -0.98682 92 3PZ 0.05970 -0.30471 -0.84493 1.23818 -0.24835 93 4XX -0.00625 -0.01926 -0.00079 0.02109 -0.01982 94 4YY -0.01680 -0.04813 0.03738 -0.02623 -0.02323 95 4ZZ -0.02335 0.03343 -0.01374 0.06150 -0.02408 96 4XY -0.01121 0.02314 0.01312 0.00545 0.00859 97 4XZ 0.00254 0.03612 -0.03188 0.06790 -0.02810 98 4YZ -0.00719 0.08448 0.01250 0.03104 -0.05307 99 11 C 1S -0.00091 0.00625 0.00337 -0.01326 -0.01531 100 2S 0.33623 -0.25560 -0.25466 -0.46596 -0.49414 101 2PX -0.00571 0.10592 -0.04301 0.12732 -0.10286 102 2PY 0.06948 -0.08030 -0.27276 0.27573 -0.19412 103 2PZ -0.04167 0.18681 -0.06731 0.14914 0.07554 104 3S -1.22610 0.01141 0.85431 1.85057 1.66988 105 3PX -0.12676 -0.23235 0.91473 -1.13506 0.08611 106 3PY -0.47052 -0.26526 2.07261 -2.34360 0.98414 107 3PZ -0.06087 -0.30602 0.84465 -1.23811 -0.25002 108 4XX 0.00617 -0.01929 0.00075 -0.02104 -0.01981 109 4YY 0.01663 -0.04808 -0.03749 0.02620 -0.02320 110 4ZZ 0.02350 0.03329 0.01382 -0.06150 -0.02410 111 4XY -0.01129 -0.02313 0.01308 0.00548 -0.00859 112 4XZ -0.00239 0.03605 0.03195 -0.06789 -0.02814 113 4YZ -0.00756 -0.08449 0.01230 0.03103 0.05309 114 12 C 1S 0.00661 -0.00251 -0.01119 -0.00773 0.00070 115 2S 0.19032 -0.44932 0.08912 -0.43177 -0.03894 116 2PX 0.19697 0.04219 -0.30445 -0.04064 -0.10219 117 2PY 0.04293 -0.38649 0.15172 -0.08623 -0.05167 118 2PZ 0.10041 0.01484 -0.18345 0.09761 -0.04408 119 3S -0.44726 1.18184 -1.32951 2.11449 -0.29166 120 3PX -0.90283 -0.28319 1.62781 -0.83013 0.59979 121 3PY -0.21214 0.81480 -0.13465 0.22281 -0.44526 122 3PZ -0.83717 -0.55027 1.55344 -0.50026 0.59569 123 4XX 0.03634 -0.04938 0.00147 0.04643 -0.04190 124 4YY 0.04183 0.00228 -0.02673 -0.08330 0.09364 125 4ZZ -0.04567 -0.02302 0.00241 0.00311 -0.06586 126 4XY -0.00974 0.02778 0.01682 -0.05919 -0.03022 127 4XZ 0.02711 -0.01991 -0.07268 0.00965 0.02955 128 4YZ 0.01719 0.00136 -0.01102 0.04282 -0.04310 129 13 C 1S 0.02672 -0.02139 0.01201 -0.00231 0.00030 130 2S -0.58006 -0.17016 -0.32983 -0.23179 0.47147 131 2PX 0.06504 0.12025 -0.18171 -0.07885 0.05690 132 2PY -0.27478 -0.03006 0.00174 -0.01403 0.05799 133 2PZ -0.22376 -0.13455 -0.13714 -0.09032 0.24372 134 3S 1.42178 0.73441 0.29231 0.85235 -1.37805 135 3PX -0.13510 -0.30684 0.09388 0.66671 -0.11403 136 3PY 1.15300 0.16265 -0.81260 -0.22152 -0.14963 137 3PZ -0.07744 0.05176 0.71966 0.15277 -0.08932 138 4XX 0.00360 -0.03294 0.06409 -0.02516 -0.07387 139 4YY -0.04817 0.00048 -0.01240 -0.00874 0.07127 140 4ZZ -0.00404 -0.01698 -0.09214 0.00714 0.07072 141 4XY -0.00651 -0.05404 0.03005 -0.02348 0.03530 142 4XZ -0.06433 -0.00468 0.02231 -0.07108 0.00543 143 4YZ 0.01587 -0.01515 0.00659 0.00039 0.03390 144 14 C 1S -0.02682 -0.02125 -0.01208 0.00230 0.00030 145 2S 0.57921 -0.17320 0.32972 0.23114 0.47164 146 2PX -0.06434 0.12032 0.18204 0.07881 0.05706 147 2PY -0.27480 0.03127 0.00172 -0.01392 -0.05819 148 2PZ 0.22317 -0.13574 0.13698 0.09007 0.24367 149 3S -1.41852 0.74063 -0.29077 -0.85054 -1.37901 150 3PX 0.13343 -0.30778 -0.09461 -0.66654 -0.11459 151 3PY 1.15247 -0.16621 -0.81304 -0.22191 0.15054 152 3PZ 0.07770 0.05268 -0.71981 -0.15260 -0.08861 153 4XX -0.00367 -0.03280 -0.06423 0.02524 -0.07384 154 4YY 0.04815 0.00025 0.01248 0.00866 0.07129 155 4ZZ 0.00390 -0.01718 0.09214 -0.00724 0.07067 156 4XY -0.00625 0.05400 0.03016 -0.02347 -0.03535 157 4XZ 0.06431 -0.00488 -0.02223 0.07107 0.00552 158 4YZ 0.01597 0.01508 0.00661 0.00041 -0.03390 159 15 C 1S -0.00661 -0.00251 0.01118 0.00773 0.00070 160 2S -0.19215 -0.44821 -0.09001 0.43190 -0.03857 161 2PX -0.19683 0.04238 0.30454 0.04062 -0.10227 162 2PY 0.04451 0.38589 0.15226 -0.08629 0.05152 163 2PZ -0.10031 0.01500 0.18351 -0.09758 -0.04431 164 3S 0.45200 1.17691 1.33180 -2.11504 -0.29435 165 3PX 0.90173 -0.28367 -1.62870 0.82987 0.60169 166 3PY -0.21603 -0.81312 -0.13543 0.22236 0.44526 167 3PZ 0.83457 -0.55108 -1.55488 0.49977 0.59771 168 4XX -0.03653 -0.04925 -0.00156 -0.04645 -0.04192 169 4YY -0.04187 0.00240 0.02672 0.08328 0.09366 170 4ZZ 0.04562 -0.02320 -0.00243 -0.00305 -0.06584 171 4XY -0.00987 -0.02776 0.01676 -0.05918 0.03020 172 4XZ -0.02718 -0.01994 0.07265 -0.00970 0.02950 173 4YZ 0.01715 -0.00140 -0.01103 0.04281 0.04318 174 16 H 1S 0.03628 0.32960 -0.13389 0.22535 -0.25377 175 2S -0.32670 -0.57731 0.29732 0.22938 -0.46372 176 17 H 1S -0.03488 0.32947 0.13457 -0.22521 -0.25402 177 2S 0.32453 -0.57783 -0.29832 -0.22899 -0.46381 178 18 H 1S 0.02923 0.19375 -0.14227 -0.13045 0.39250 179 2S 0.14598 -0.96877 0.38110 -0.15608 -0.14105 180 19 H 1S 0.22097 -0.23343 0.43721 -0.12785 -0.24174 181 2S -0.50120 0.26562 -0.59448 -0.24012 0.60221 182 20 H 1S -0.22196 -0.23163 -0.43796 0.12809 -0.24165 183 2S 0.50254 0.26267 0.59505 0.23928 0.60253 184 21 H 1S -0.02865 0.19352 0.14257 0.13026 0.39263 185 2S -0.14990 -0.96706 -0.38276 0.15626 -0.14068 186 22 H 1S 0.50812 -0.05448 0.05880 0.23811 -0.19768 187 2S -1.05531 -0.35627 -0.10179 -0.24359 0.44796 188 23 H 1S -0.50834 -0.05219 -0.05927 -0.23790 -0.19783 189 2S 1.05373 -0.36100 0.10140 0.24306 0.44804 106 107 108 109 110 V V V V V Eigenvalues -- 1.02295 1.02725 1.09209 1.09920 1.11414 1 1 C 1S 0.01055 -0.00075 0.00467 0.00901 0.01456 2 2S -0.10639 0.04433 -0.08665 -0.21100 0.32932 3 2PX 0.18615 -0.06354 0.06201 0.13913 -0.16818 4 2PY -0.18762 -0.06822 0.01287 -0.00801 0.05682 5 2PZ 0.04739 -0.09596 -0.13359 0.01340 0.05967 6 3S 1.28453 -0.24419 0.37840 0.44880 -0.04803 7 3PX -0.36667 0.03982 0.16622 0.21797 0.43513 8 3PY 1.23306 0.18500 0.21593 0.03819 -0.33823 9 3PZ 0.10720 0.17253 1.10065 0.11724 -0.13422 10 4XX 0.01128 0.00966 -0.04096 0.05150 -0.02846 11 4YY 0.01929 -0.00774 0.00387 -0.05474 0.04719 12 4ZZ 0.02235 0.00411 0.05039 0.04388 0.02865 13 4XY 0.00689 -0.01586 0.01314 0.01723 -0.01440 14 4XZ 0.07233 0.01514 0.01458 -0.01274 0.00872 15 4YZ 0.00018 0.04935 0.00200 -0.05331 -0.08910 16 2 O 1S -0.00630 -0.00083 -0.00157 0.00674 0.01302 17 2S -0.45991 -0.12950 0.00536 0.07663 0.21757 18 2PX -0.26733 -0.05546 -0.34319 -0.03099 0.07821 19 2PY 0.37355 0.06698 -0.25206 0.11533 -0.13201 20 2PZ 0.03925 0.06662 0.26254 -0.31486 -0.41605 21 3S 1.13266 0.11757 -0.18527 -0.24486 -0.75795 22 3PX 0.45546 0.15929 0.71613 0.24667 -0.11901 23 3PY -0.65940 -0.21100 0.38801 -0.20410 0.16289 24 3PZ -0.00451 -0.18393 -0.30204 0.61957 0.73030 25 4XX -0.12943 -0.07387 0.09955 0.01226 0.14774 26 4YY -0.09192 -0.03570 -0.04620 0.03121 -0.03205 27 4ZZ -0.21127 -0.01694 -0.04739 0.00735 0.08804 28 4XY -0.01514 -0.05141 0.01399 0.00625 0.04810 29 4XZ -0.00424 -0.00417 -0.06620 0.02091 0.00938 30 4YZ -0.01379 0.04620 0.00118 -0.01449 -0.02438 31 3 C 1S 0.00000 -0.00093 0.00005 0.02843 -0.03478 32 2S -0.00007 0.28471 0.00101 0.55418 -0.49353 33 2PX -0.00012 0.33913 0.00014 0.10084 -0.03317 34 2PY -0.25327 -0.00008 0.00512 0.00001 0.00000 35 2PZ -0.00007 0.09399 -0.00007 -0.02672 0.02140 36 3S 0.00026 -0.94758 -0.00319 -1.65200 0.76595 37 3PX 0.00029 -1.00436 -0.00033 -0.29864 0.20747 38 3PY 0.75513 0.00022 0.36904 -0.00083 -0.00060 39 3PZ 0.00011 -0.17264 -0.00075 -0.32295 -0.47156 40 4XX -0.00004 0.12184 -0.00003 0.01975 -0.10750 41 4YY -0.00003 0.04728 0.00005 0.02850 0.00341 42 4ZZ 0.00005 -0.11853 0.00006 0.01459 -0.03352 43 4XY 0.00345 -0.00002 -0.14951 0.00033 0.00008 44 4XZ -0.00002 0.04082 -0.00021 -0.05192 -0.15571 45 4YZ 0.10161 0.00007 0.05826 -0.00013 0.00003 46 4 C 1S -0.01055 -0.00075 -0.00461 0.00904 0.01456 47 2S 0.10633 0.04458 0.08629 -0.21122 0.32833 48 2PX -0.18607 -0.06370 -0.06165 0.13936 -0.16799 49 2PY -0.18767 0.06822 0.01281 0.00796 -0.05663 50 2PZ -0.04730 -0.09600 0.13376 0.01285 0.05942 51 3S -1.28426 -0.24538 -0.37694 0.44997 -0.04337 52 3PX 0.36664 0.04023 -0.16474 0.21865 0.43674 53 3PY 1.23325 -0.18447 0.21626 -0.03919 0.33602 54 3PZ -0.10713 0.17239 -1.10030 0.12169 -0.13163 55 4XX -0.01128 0.00968 0.04116 0.05131 -0.02850 56 4YY -0.01929 -0.00772 -0.00402 -0.05474 0.04717 57 4ZZ -0.02235 0.00409 -0.05019 0.04413 0.02875 58 4XY 0.00690 0.01587 0.01311 -0.01729 0.01438 59 4XZ -0.07234 0.01510 -0.01465 -0.01267 0.00874 60 4YZ 0.00022 -0.04936 0.00231 0.05328 0.08909 61 5 H 1S 0.00015 -0.47957 0.00030 0.10584 -0.03821 62 2S -0.00030 1.02151 0.00101 0.55934 0.19937 63 6 H 1S 0.00002 0.03444 0.00018 0.10106 -0.05008 64 2S -0.00019 0.62703 0.00081 0.47187 -0.32657 65 7 O 1S 0.00630 -0.00082 0.00161 0.00673 0.01302 66 2S 0.46001 -0.12922 -0.00478 0.07653 0.21739 67 2PX 0.26734 -0.05518 0.34315 -0.03246 0.07786 68 2PY 0.37358 -0.06684 -0.25234 -0.11423 0.13237 69 2PZ -0.03925 0.06641 -0.26431 -0.31377 -0.41625 70 3S -1.13278 0.11690 0.18363 -0.24522 -0.75858 71 3PX -0.45550 0.15887 -0.71526 0.24968 -0.11767 72 3PY -0.65950 0.21076 0.38852 0.20235 -0.16332 73 3PZ 0.00456 -0.18369 0.30541 0.61829 0.73106 74 4XX 0.12948 -0.07381 -0.09933 0.01266 0.14775 75 4YY 0.09195 -0.03562 0.04630 0.03097 -0.03219 76 4ZZ 0.21129 -0.01680 0.04754 0.00710 0.08801 77 4XY -0.01518 0.05140 0.01386 -0.00631 -0.04811 78 4XZ 0.00425 -0.00415 0.06630 0.02061 0.00921 79 4YZ -0.01379 -0.04621 0.00127 0.01450 0.02436 80 8 H 1S -0.07749 -0.00134 -0.24486 0.08745 -0.02585 81 2S -0.14391 0.16905 -0.29779 -0.04551 -0.02347 82 9 H 1S 0.07752 -0.00126 0.24526 0.08640 -0.02645 83 2S 0.14371 0.16892 0.29767 -0.04674 -0.02405 84 10 C 1S -0.00452 -0.01307 0.00845 0.01557 -0.01726 85 2S -0.29734 -0.43726 0.29849 0.56373 -0.48751 86 2PX 0.02355 0.00577 0.01877 0.08139 -0.10457 87 2PY -0.00021 0.15827 0.03455 0.01723 -0.00851 88 2PZ -0.01078 0.05173 0.01740 0.12151 0.00932 89 3S 1.19527 1.78150 -0.82641 -1.77926 0.98315 90 3PX 0.09707 0.20087 -0.10753 -0.69588 0.27232 91 3PY -0.21620 -0.73822 0.17792 0.14257 -0.16511 92 3PZ 0.23028 0.11071 -0.03202 -0.70122 0.04831 93 4XX 0.00145 0.00944 -0.00594 -0.00587 -0.04626 94 4YY -0.00554 -0.04088 0.00486 0.09244 -0.05714 95 4ZZ -0.02816 -0.03224 0.03390 -0.01848 0.05676 96 4XY -0.00584 -0.01966 0.00364 0.08274 -0.01810 97 4XZ -0.00395 -0.00937 0.01786 0.01965 -0.02807 98 4YZ -0.01053 -0.04164 0.00543 -0.01703 0.01903 99 11 C 1S 0.00453 -0.01307 -0.00841 0.01560 -0.01725 100 2S 0.29771 -0.43700 -0.29656 0.56479 -0.48699 101 2PX -0.02353 0.00571 -0.01856 0.08152 -0.10450 102 2PY -0.00010 -0.15834 0.03449 -0.01739 0.00856 103 2PZ 0.01072 0.05168 -0.01686 0.12168 0.00937 104 3S -1.19650 1.78039 0.81956 -1.78127 0.98122 105 3PX -0.09728 0.20137 0.10477 -0.69687 0.27265 106 3PY -0.21654 0.73882 0.17746 -0.14400 0.16429 107 3PZ -0.23040 0.11130 0.02894 -0.70202 0.04933 108 4XX -0.00146 0.00945 0.00586 -0.00591 -0.04633 109 4YY 0.00559 -0.04090 -0.00452 0.09249 -0.05712 110 4ZZ 0.02818 -0.03219 -0.03392 -0.01836 0.05689 111 4XY -0.00586 0.01965 0.00329 -0.08271 0.01806 112 4XZ 0.00395 -0.00933 -0.01781 0.01971 -0.02805 113 4YZ -0.01054 0.04161 0.00548 0.01704 -0.01913 114 12 C 1S -0.01109 0.00052 -0.01218 -0.02072 -0.01139 115 2S -0.20578 0.22199 0.11614 -0.82688 0.05613 116 2PX 0.13604 -0.11943 0.05091 0.03377 -0.00564 117 2PY -0.06593 -0.10428 0.05024 -0.03963 0.11183 118 2PZ -0.01930 -0.06914 -0.05407 0.10227 -0.05801 119 3S 0.97159 -1.03342 -0.33966 2.75244 -0.52968 120 3PX -0.49690 0.72873 0.15931 -0.40538 0.17667 121 3PY 0.01532 0.02745 -0.36969 -0.61338 -0.13577 122 3PZ -0.26057 0.58434 0.38222 -0.35788 0.15966 123 4XX 0.00485 -0.01555 -0.03846 0.02460 -0.01695 124 4YY -0.01070 0.04121 0.02370 -0.02326 0.02731 125 4ZZ -0.02254 -0.01534 0.00570 -0.09205 -0.01682 126 4XY 0.00821 0.00157 -0.00938 -0.02557 0.03095 127 4XZ 0.01037 -0.01611 -0.02314 0.01913 -0.03536 128 4YZ 0.00529 -0.00432 0.00487 0.02569 -0.05503 129 13 C 1S -0.00743 0.00466 0.01167 0.00039 -0.01171 130 2S -0.10471 -0.35535 -0.24823 -0.10910 -0.32145 131 2PX 0.06241 -0.01795 -0.07764 0.16501 -0.13859 132 2PY -0.06486 -0.23732 -0.11590 -0.08603 -0.02999 133 2PZ -0.05819 -0.26289 -0.10670 -0.06425 -0.03524 134 3S 0.35366 0.97448 0.33763 0.07139 0.77829 135 3PX 0.04606 0.02480 0.45709 -0.24463 0.42558 136 3PY 0.19416 0.39330 0.34401 0.18676 0.19205 137 3PZ 0.15273 0.59320 0.32424 0.51666 0.12910 138 4XX -0.01651 0.01518 0.02897 -0.01053 -0.01838 139 4YY -0.00417 -0.03537 -0.02047 -0.00059 -0.04198 140 4ZZ -0.00476 -0.02504 -0.03150 -0.00564 0.00569 141 4XY -0.01186 0.11388 0.01255 0.09024 0.03027 142 4XZ -0.01822 0.01737 0.02199 -0.02390 0.05808 143 4YZ 0.00532 0.01915 0.02023 0.04150 0.05643 144 14 C 1S 0.00743 0.00466 -0.01168 0.00043 -0.01165 145 2S 0.10489 -0.35501 0.24774 -0.11025 -0.32083 146 2PX -0.06237 -0.01814 0.07834 0.16462 -0.13888 147 2PY -0.06504 0.23728 -0.11563 0.08654 0.03005 148 2PZ 0.05837 -0.26269 0.10651 -0.06472 -0.03503 149 3S -0.35442 0.97362 -0.33756 0.07272 0.77549 150 3PX -0.04614 0.02569 -0.45807 -0.24216 0.42721 151 3PY 0.19455 -0.39301 0.34330 -0.18895 -0.19190 152 3PZ -0.15302 0.59303 -0.32197 0.51860 0.12814 153 4XX 0.01653 0.01518 -0.02907 -0.01042 -0.01833 154 4YY 0.00418 -0.03535 0.02046 -0.00068 -0.04195 155 4ZZ 0.00476 -0.02501 0.03153 -0.00577 0.00571 156 4XY -0.01182 -0.11387 0.01221 -0.09031 -0.03030 157 4XZ 0.01818 0.01729 -0.02203 -0.02383 0.05798 158 4YZ 0.00534 -0.01914 0.01999 -0.04161 -0.05642 159 15 C 1S 0.01108 0.00053 0.01208 -0.02076 -0.01141 160 2S 0.20562 0.22189 -0.11976 -0.82643 0.05679 161 2PX -0.13597 -0.11954 -0.05070 0.03405 -0.00572 162 2PY -0.06602 0.10445 0.05029 0.03921 -0.11150 163 2PZ 0.01932 -0.06906 0.05446 0.10206 -0.05831 164 3S -0.97084 -1.03261 0.35141 2.75058 -0.53019 165 3PX 0.49649 0.72861 -0.16106 -0.40464 0.17693 166 3PY 0.01535 -0.02797 -0.36663 0.61602 0.13552 167 3PZ 0.26034 0.58454 -0.38373 -0.35597 0.16146 168 4XX -0.00481 -0.01554 0.03853 0.02445 -0.01705 169 4YY 0.01065 0.04120 -0.02375 -0.02310 0.02739 170 4ZZ 0.02254 -0.01533 -0.00613 -0.09208 -0.01678 171 4XY 0.00822 -0.00152 -0.00930 0.02559 -0.03085 172 4XZ -0.01036 -0.01609 0.02321 0.01900 -0.03526 173 4YZ 0.00528 0.00433 0.00482 -0.02569 0.05500 174 16 H 1S -0.03484 -0.04343 0.08706 -0.10270 -0.02542 175 2S -0.14758 -0.35014 0.09945 -0.10689 -0.16526 176 17 H 1S 0.03480 -0.04326 -0.08760 -0.10252 -0.02477 177 2S 0.14787 -0.35001 -0.10011 -0.10672 -0.16476 178 18 H 1S -0.03660 0.12762 0.05149 0.10764 -0.09524 179 2S -0.20895 0.00684 0.25223 -0.29720 0.19262 180 19 H 1S -0.07042 0.43247 0.29364 0.14112 0.09243 181 2S -0.09362 -1.12740 -0.88231 -0.22718 -0.75497 182 20 H 1S 0.07024 0.43226 -0.29329 0.14223 0.09271 183 2S 0.09430 -1.12728 0.88164 -0.23133 -0.75525 184 21 H 1S 0.03647 0.12764 -0.05101 0.10809 -0.09512 185 2S 0.20906 0.00658 -0.25341 -0.29577 0.19251 186 22 H 1S 0.06503 0.07299 0.17681 -0.05099 -0.00869 187 2S -0.28536 -0.46932 -0.23073 -0.37985 -0.01505 188 23 H 1S -0.06503 0.07293 -0.17708 -0.05035 -0.00804 189 2S 0.28561 -0.46883 0.22929 -0.38099 -0.01424 111 112 113 114 115 V V V V V Eigenvalues -- 1.14921 1.15187 1.18946 1.20405 1.25127 1 1 C 1S -0.00039 0.02009 -0.00439 -0.00221 0.00742 2 2S -0.58238 0.14025 0.00693 -0.10233 0.25544 3 2PX 0.10248 0.04450 0.03904 0.09926 -0.16320 4 2PY -0.09961 0.07485 -0.06250 0.13995 0.04372 5 2PZ -0.10500 0.14757 0.11885 -0.07860 -0.13910 6 3S 2.40224 0.23913 0.10805 -0.94552 -0.57722 7 3PX 0.78427 0.09871 0.27725 -0.81583 1.00099 8 3PY 1.00033 -0.32346 0.36170 -0.65078 -0.10692 9 3PZ 0.95049 -0.09353 0.12113 -0.13878 1.11283 10 4XX 0.01217 0.09074 -0.08424 -0.02735 -0.08927 11 4YY 0.00076 0.00651 -0.02578 -0.00740 0.00790 12 4ZZ 0.01211 -0.04736 0.10295 -0.02345 0.11834 13 4XY 0.00244 -0.10457 -0.12492 -0.01403 -0.00723 14 4XZ -0.01126 -0.03147 -0.02068 -0.05660 0.02441 15 4YZ 0.00622 0.00931 0.02986 0.01881 0.03739 16 2 O 1S 0.00276 0.01388 0.01445 -0.00264 0.00395 17 2S -0.06810 0.27739 0.18840 -0.02811 0.01538 18 2PX -0.01880 -0.42862 -0.05334 0.14081 0.02055 19 2PY -0.03355 -0.16083 0.23462 -0.02789 -0.10516 20 2PZ -0.25388 0.11409 0.00006 0.25009 -0.09670 21 3S -0.38171 -0.66650 -0.37415 0.15435 -0.48019 22 3PX 0.38351 0.80253 0.10651 -0.46073 0.17401 23 3PY -0.01328 0.27318 -0.48029 0.08472 0.17070 24 3PZ 0.59731 -0.13833 0.11958 -0.65440 0.22209 25 4XX -0.03550 0.09344 0.09077 0.00400 0.08639 26 4YY -0.04335 -0.04842 0.04920 -0.00814 -0.01459 27 4ZZ 0.01617 0.20000 0.00760 -0.00415 -0.05324 28 4XY 0.00146 -0.01902 0.01807 0.03717 0.00454 29 4XZ -0.05729 0.05052 0.05263 -0.02279 -0.06193 30 4YZ -0.00719 0.05374 0.06410 0.03469 0.00263 31 3 C 1S -0.00012 -0.02222 0.04280 0.00003 0.00002 32 2S -0.00170 -0.30600 0.74455 0.00055 0.00025 33 2PX -0.00025 -0.06283 -0.29023 -0.00039 0.00015 34 2PY 0.03743 -0.00015 -0.00001 0.00608 0.05645 35 2PZ -0.00070 -0.17969 -0.02058 -0.00009 0.00000 36 3S 0.00301 0.52491 -1.16624 -0.00047 -0.00123 37 3PX -0.00188 -0.47164 0.39202 0.00023 -0.00022 38 3PY 0.44389 -0.00156 0.00068 -0.60851 0.11056 39 3PZ 0.00253 0.72141 -0.41085 -0.00014 0.00028 40 4XX -0.00009 -0.00504 -0.00724 -0.00001 0.00005 41 4YY 0.00021 0.04366 0.11026 0.00017 -0.00011 42 4ZZ -0.00067 -0.15101 0.01032 -0.00009 0.00007 43 4XY -0.00361 0.00005 -0.00004 0.01961 -0.07458 44 4XZ -0.00093 -0.20509 0.00417 -0.00008 0.00004 45 4YZ -0.07042 0.00027 -0.00004 0.06269 0.01598 46 4 C 1S 0.00057 0.02009 -0.00439 0.00221 -0.00739 47 2S 0.58406 0.13543 0.00654 0.10215 -0.25501 48 2PX -0.10247 0.04546 0.03939 -0.09899 0.16301 49 2PY -0.10031 -0.07420 0.06221 0.13995 0.04376 50 2PZ 0.10625 0.14667 0.11880 0.07907 0.13903 51 3S -2.40046 0.25731 0.10614 0.94625 0.57651 52 3PX -0.78280 0.10386 0.27484 0.81594 -1.00055 53 3PY 1.00359 0.31626 -0.36008 -0.65131 -0.10676 54 3PZ -0.95124 -0.08654 0.11992 0.13866 -1.11271 55 4XX -0.01155 0.09082 -0.08422 0.02713 0.08956 56 4YY -0.00061 0.00650 -0.02579 0.00735 -0.00791 57 4ZZ -0.01244 -0.04731 0.10279 0.02365 -0.11849 58 4XY 0.00331 0.10456 0.12496 -0.01363 -0.00752 59 4XZ 0.01103 -0.03160 -0.02080 0.05651 -0.02435 60 4YZ 0.00626 -0.00933 -0.02990 0.01875 0.03742 61 5 H 1S -0.00024 -0.03252 0.16190 0.00007 0.00010 62 2S -0.00213 -0.59712 0.58148 0.00031 -0.00007 63 6 H 1S 0.00090 0.23483 0.17265 0.00025 0.00009 64 2S -0.00042 -0.03984 -0.11362 -0.00026 0.00039 65 7 O 1S -0.00262 0.01389 0.01444 0.00269 -0.00398 66 2S 0.07060 0.27678 0.18830 0.02872 -0.01561 67 2PX 0.01552 -0.42870 -0.05308 -0.14127 -0.02074 68 2PY -0.03218 0.16112 -0.23460 -0.02819 -0.10513 69 2PZ 0.25424 0.11240 0.00061 -0.24967 0.09643 70 3S 0.37516 -0.66906 -0.37340 -0.15564 0.48115 71 3PX -0.37740 0.80515 0.10549 0.46149 -0.17348 72 3PY -0.01542 -0.27323 0.48007 0.08539 0.17041 73 3PZ -0.59750 -0.13431 0.11819 0.65384 -0.22147 74 4XX 0.03647 0.09317 0.09070 -0.00367 -0.08664 75 4YY 0.04289 -0.04878 0.04919 0.00812 0.01470 76 4ZZ -0.01446 0.20007 0.00761 0.00437 0.05312 77 4XY 0.00154 0.01896 -0.01815 0.03714 0.00460 78 4XZ 0.05770 0.05006 0.05262 0.02295 0.06194 79 4YZ -0.00760 -0.05376 -0.06416 0.03441 0.00280 80 8 H 1S -0.19115 0.04967 0.24732 0.01502 -0.33507 81 2S -0.20055 -0.18429 -0.10108 0.16657 -0.33979 82 9 H 1S 0.19150 0.04830 0.24764 -0.01444 0.33495 83 2S 0.19903 -0.18554 -0.10041 -0.16725 0.34036 84 10 C 1S -0.00259 -0.00062 -0.00168 -0.00951 -0.04031 85 2S -0.01288 -0.04056 -0.18465 -0.35370 -0.90599 86 2PX -0.00668 0.01644 0.00070 -0.08106 -0.03401 87 2PY -0.05862 0.07562 -0.04392 -0.07627 -0.00018 88 2PZ -0.05681 0.02517 0.05202 -0.11856 0.15843 89 3S -0.38949 0.43733 0.02686 -0.07451 3.44784 90 3PX 0.62467 -0.05149 0.10539 0.45832 -0.04307 91 3PY 0.22378 -0.32278 0.42712 -0.85411 0.19735 92 3PZ 1.03974 -0.08917 0.14467 0.27913 -0.77011 93 4XX -0.05811 -0.02293 -0.00624 -0.02537 -0.04047 94 4YY 0.00408 0.00954 -0.02820 -0.01241 -0.01615 95 4ZZ 0.06677 0.00553 0.02305 -0.00039 -0.03169 96 4XY 0.03517 0.01160 -0.11170 0.02827 -0.06136 97 4XZ -0.01241 0.00414 0.00687 -0.05161 -0.07669 98 4YZ 0.05335 -0.04284 0.12675 0.00004 -0.01155 99 11 C 1S 0.00255 -0.00065 -0.00168 0.00952 0.04030 100 2S 0.01157 -0.04113 -0.18489 0.35356 0.90573 101 2PX 0.00655 0.01626 0.00050 0.08120 0.03381 102 2PY -0.05920 -0.07512 0.04410 -0.07625 -0.00013 103 2PZ 0.05693 0.02451 0.05159 0.11871 -0.15861 104 3S 0.39494 0.43496 0.02424 0.07412 -3.44712 105 3PX -0.62432 -0.04544 0.10680 -0.45842 0.04340 106 3PY 0.22683 0.32228 -0.42480 -0.85508 0.19758 107 3PZ -1.03998 -0.07990 0.14623 -0.27901 0.77042 108 4XX 0.05794 -0.02342 -0.00626 0.02528 0.04061 109 4YY -0.00417 0.00954 -0.02822 0.01239 0.01610 110 4ZZ -0.06667 0.00607 0.02306 0.00048 0.03161 111 4XY 0.03512 -0.01189 0.11158 0.02855 -0.06151 112 4XZ 0.01241 0.00400 0.00679 0.05168 0.07661 113 4YZ 0.05363 0.04242 -0.12679 -0.00023 -0.01150 114 12 C 1S -0.00788 -0.00314 0.00510 -0.02077 -0.00101 115 2S 0.39930 -0.27410 0.07679 -0.20100 -0.26967 116 2PX -0.03963 -0.16531 -0.02922 -0.02841 0.02090 117 2PY -0.29294 -0.05481 -0.10032 -0.33619 0.05176 118 2PZ -0.14151 -0.01191 0.08613 0.02023 0.06974 119 3S 0.28298 0.37920 -0.78087 1.58054 0.88847 120 3PX -0.01013 0.43446 -0.17075 0.24562 -0.56019 121 3PY 0.60807 0.03392 0.86956 1.77781 -0.14168 122 3PZ 0.63206 0.26503 -0.95501 -0.38458 -0.33115 123 4XX -0.02622 0.03284 -0.05384 0.00352 0.04302 124 4YY 0.02239 -0.01593 -0.01803 -0.13687 0.00391 125 4ZZ 0.02454 -0.04213 0.06155 0.08053 -0.04659 126 4XY -0.04104 0.01505 0.01862 0.05780 -0.05129 127 4XZ 0.10566 -0.00394 0.00811 0.01915 0.02171 128 4YZ 0.03881 0.01686 0.00907 0.02208 0.07809 129 13 C 1S 0.02839 -0.00272 -0.03865 -0.01363 0.01255 130 2S 0.38550 -0.05622 -0.80650 -0.18886 0.28785 131 2PX -0.08599 -0.01425 -0.11812 0.00183 -0.15119 132 2PY 0.01185 0.04197 0.04731 -0.04680 0.01422 133 2PZ 0.12820 0.10639 0.03640 -0.16531 0.03504 134 3S -1.27800 -0.34858 2.25849 1.55683 -0.92176 135 3PX 0.42679 -0.06919 0.05057 -0.38278 0.81686 136 3PY -0.53931 -0.16346 0.30144 -1.06486 0.24155 137 3PZ -0.56755 -0.04764 -0.52434 0.43440 -0.39174 138 4XX -0.01105 0.00152 0.00532 0.00939 -0.00441 139 4YY 0.01730 0.01407 -0.07310 0.01419 0.01323 140 4ZZ 0.05081 -0.02510 -0.05724 -0.03766 0.02260 141 4XY -0.00164 0.00972 -0.06090 -0.00516 -0.00760 142 4XZ -0.06520 -0.04502 -0.00099 0.04323 -0.09957 143 4YZ -0.03497 0.00114 -0.08686 -0.06311 -0.00477 144 14 C 1S -0.02844 -0.00251 -0.03869 0.01350 -0.01246 145 2S -0.38670 -0.05337 -0.80715 0.18651 -0.28649 146 2PX 0.08546 -0.01489 -0.11799 -0.00206 0.15104 147 2PY 0.01166 -0.04198 -0.04721 -0.04704 0.01428 148 2PZ -0.12746 0.10725 0.03599 0.16553 -0.03510 149 3S 1.27739 -0.35713 2.26295 -1.55022 0.91738 150 3PX -0.42610 -0.06621 0.04904 0.38276 -0.81628 151 3PY -0.53878 0.16827 -0.29840 -1.06563 0.24232 152 3PZ 0.56725 -0.05192 -0.52331 -0.43656 0.39278 153 4XX 0.01107 0.00141 0.00534 -0.00950 0.00461 154 4YY -0.01724 0.01422 -0.07310 -0.01435 -0.01310 155 4ZZ -0.05108 -0.02471 -0.05731 0.03755 -0.02270 156 4XY -0.00180 -0.00968 0.06094 -0.00513 -0.00751 157 4XZ 0.06495 -0.04551 -0.00084 -0.04334 0.09960 158 4YZ -0.03503 -0.00080 0.08700 -0.06284 -0.00486 159 15 C 1S 0.00784 -0.00322 0.00506 0.02081 0.00097 160 2S -0.40114 -0.27109 0.07658 0.20140 0.26904 161 2PX 0.03824 -0.16551 -0.02933 0.02830 -0.02109 162 2PY -0.29267 0.05747 0.10124 -0.33583 0.05162 163 2PZ 0.14123 -0.01293 0.08615 -0.02006 -0.06984 164 3S -0.28171 0.38353 -0.77752 -1.58323 -0.88627 165 3PX 0.01394 0.43389 -0.17015 -0.24612 0.56118 166 3PY 0.60795 -0.04028 -0.87394 1.77528 -0.14107 167 3PZ -0.62964 0.26895 -0.95587 0.38215 0.33282 168 4XX 0.02634 0.03264 -0.05386 -0.00352 -0.04310 169 4YY -0.02244 -0.01584 -0.01835 0.13680 -0.00396 170 4ZZ -0.02481 -0.04190 0.06178 -0.08045 0.04669 171 4XY -0.04120 -0.01477 -0.01877 0.05778 -0.05125 172 4XZ -0.10576 -0.00306 0.00816 -0.01902 -0.02187 173 4YZ 0.03875 -0.01718 -0.00911 0.02210 0.07801 174 16 H 1S 0.39898 -0.07463 0.14147 -0.05151 -0.37786 175 2S 0.39198 -0.13944 -0.02477 0.02725 -0.65741 176 17 H 1S -0.39957 -0.07146 0.14171 0.05191 0.37773 177 2S -0.39320 -0.13615 -0.02411 -0.02736 0.65765 178 18 H 1S -0.09823 0.04777 -0.13516 -0.54275 -0.05630 179 2S -0.29855 -0.19966 -0.30554 -0.82830 -0.06703 180 19 H 1S -0.00141 -0.08636 -0.10674 0.14336 -0.08658 181 2S 0.46209 0.23882 -0.36870 -0.08330 0.02848 182 20 H 1S 0.00091 -0.08625 -0.10636 -0.14399 0.08696 183 2S -0.46211 0.24244 -0.36881 0.08278 -0.02830 184 21 H 1S 0.09849 0.04650 -0.13646 0.54254 0.05617 185 2S 0.29726 -0.20278 -0.30759 0.82742 0.06722 186 22 H 1S 0.25496 -0.04519 -0.13627 -0.08339 0.18568 187 2S 0.49830 0.06505 -0.13498 -0.21038 0.35756 188 23 H 1S -0.25535 -0.04324 -0.13652 0.08292 -0.18535 189 2S -0.49772 0.06874 -0.13566 0.21004 -0.35692 116 117 118 119 120 V V V V V Eigenvalues -- 1.26439 1.36726 1.37046 1.39833 1.42704 1 1 C 1S -0.01130 0.01619 -0.02494 -0.02893 0.00975 2 2S -0.31817 0.38352 -0.34730 -0.50959 0.36867 3 2PX 0.13192 -0.07684 0.03580 0.14998 -0.07917 4 2PY 0.11106 0.03980 -0.00236 -0.04260 -0.06974 5 2PZ 0.01294 0.17827 -0.08718 -0.10669 -0.00334 6 3S 0.36072 -0.58421 1.52325 1.15186 -1.28547 7 3PX -0.44479 -0.20478 -0.42099 0.05012 -0.35553 8 3PY -0.23827 -0.12004 1.91602 -0.10549 0.33823 9 3PZ -0.24798 -0.51336 0.13951 0.49898 0.18230 10 4XX -0.14374 -0.02719 -0.15323 -0.13950 -0.01113 11 4YY 0.02602 0.05746 0.01406 -0.09250 0.00075 12 4ZZ 0.02879 -0.01634 0.08814 0.22971 -0.00627 13 4XY -0.12675 0.24425 0.03464 -0.07523 0.01125 14 4XZ -0.04356 0.17131 -0.07096 -0.01110 0.02498 15 4YZ -0.00764 -0.10540 0.00018 -0.09713 0.09734 16 2 O 1S 0.01454 -0.01718 0.00030 0.01508 -0.01367 17 2S 0.05294 -0.18632 -0.11978 0.14210 -0.27647 18 2PX 0.21544 -0.03878 0.30918 -0.07729 0.05402 19 2PY -0.04592 0.02564 0.10728 -0.03024 -0.03015 20 2PZ 0.10993 0.10938 0.23863 -0.01651 0.19737 21 3S -0.51445 0.73174 0.08086 -0.51141 0.78456 22 3PX -0.58241 -0.02569 -0.94735 0.49601 -0.27085 23 3PY -0.07576 0.04440 -0.50099 0.07245 0.00231 24 3PZ -0.39566 -0.27546 -0.86132 0.17985 -0.64945 25 4XX 0.11649 -0.05523 0.01889 0.19813 -0.23075 26 4YY -0.11174 0.05161 0.03182 0.00866 -0.05941 27 4ZZ 0.09469 -0.18513 -0.12866 -0.06387 0.07488 28 4XY 0.06691 -0.09011 0.06543 -0.06205 -0.20193 29 4XZ -0.02398 -0.00048 -0.10046 -0.04665 -0.06401 30 4YZ 0.07706 -0.01168 0.05900 0.12319 0.19158 31 3 C 1S -0.05236 -0.00936 -0.00006 0.02836 -0.00002 32 2S -0.82047 0.04669 -0.00012 0.32651 -0.00022 33 2PX -0.05159 0.02868 0.00017 -0.04113 0.00002 34 2PY 0.00005 0.00071 -0.17748 -0.00017 -0.06156 35 2PZ 0.00186 0.03013 0.00010 0.01052 -0.00003 36 3S 2.59779 -0.03979 0.00067 -1.08394 0.00078 37 3PX 0.02729 -0.30915 -0.00147 0.26550 -0.00020 38 3PY 0.00025 0.00400 -0.98904 -0.00100 -0.27143 39 3PZ -0.30549 0.12320 0.00033 0.05736 0.00005 40 4XX -0.08368 0.07470 0.00023 0.08343 0.00001 41 4YY 0.10587 -0.07446 -0.00034 -0.00384 0.00006 42 4ZZ -0.08516 -0.01012 0.00004 -0.05403 -0.00008 43 4XY -0.00008 -0.00031 0.06795 -0.00003 0.36303 44 4XZ -0.07623 0.12741 0.00055 -0.04463 0.00005 45 4YZ 0.00004 -0.00067 0.16863 0.00029 -0.29112 46 4 C 1S -0.01131 0.01598 0.02512 -0.02888 -0.00971 47 2S -0.31859 0.38065 0.35121 -0.50962 -0.36822 48 2PX 0.13220 -0.07650 -0.03672 0.15023 0.07906 49 2PY -0.11110 -0.03985 -0.00281 0.04250 -0.06980 50 2PZ 0.01304 0.17761 0.08876 -0.10661 0.00340 51 3S 0.36107 -0.57201 -1.52957 1.15068 1.28436 52 3PX -0.44646 -0.20865 0.41939 0.05069 0.35546 53 3PY 0.23849 0.10493 1.91705 0.10915 0.33816 54 3PZ -0.24911 -0.51256 -0.14402 0.49940 -0.18267 55 4XX -0.14362 -0.02841 0.15322 -0.13900 0.01098 56 4YY 0.02601 0.05753 -0.01343 -0.09255 -0.00071 57 4ZZ 0.02861 -0.01566 -0.08862 0.22942 0.00639 58 4XY 0.12677 -0.24455 0.03247 0.07528 0.01108 59 4XZ -0.04360 0.17070 0.07236 -0.01107 -0.02495 60 4YZ 0.00764 0.10540 0.00093 0.09705 0.09744 61 5 H 1S -0.24469 -0.12868 -0.00063 0.14242 -0.00010 62 2S -0.15169 0.08197 0.00021 0.16886 -0.00017 63 6 H 1S -0.23103 0.05453 0.00019 0.04441 -0.00004 64 2S -0.48216 0.12575 0.00052 -0.00445 -0.00003 65 7 O 1S 0.01454 -0.01718 -0.00046 0.01510 0.01366 66 2S 0.05288 -0.18733 0.11805 0.14267 0.27639 67 2PX 0.21550 -0.03628 -0.30934 -0.07801 -0.05398 68 2PY 0.04579 -0.02651 0.10710 0.03039 -0.03015 69 2PZ 0.11021 0.11140 -0.23779 -0.01701 -0.19730 70 3S -0.51383 0.73266 -0.07425 -0.51256 -0.78424 71 3PX -0.58285 -0.03338 0.94634 0.49831 0.27049 72 3PY 0.07604 -0.04035 -0.50149 -0.07331 0.00230 73 3PZ -0.39632 -0.28261 0.85891 0.18168 0.64901 74 4XX 0.11632 -0.05513 -0.01963 0.19794 0.23083 75 4YY -0.11170 0.05184 -0.03143 0.00876 0.05930 76 4ZZ 0.09476 -0.18613 0.12726 -0.06338 -0.07492 77 4XY -0.06691 0.08959 0.06603 0.06224 -0.20191 78 4XZ -0.02393 -0.00125 0.10052 -0.04634 0.06392 79 4YZ -0.07715 0.01124 0.05927 -0.12306 0.19156 80 8 H 1S -0.00556 -0.04403 -0.14600 -0.04204 -0.15837 81 2S -0.37773 -0.19460 -0.30008 -0.02671 -0.29771 82 9 H 1S -0.00520 -0.04513 0.14566 -0.04178 0.15845 83 2S -0.37728 -0.19679 0.29853 -0.02608 0.29768 84 10 C 1S 0.01224 0.00315 0.02934 -0.00469 -0.01970 85 2S 0.34787 0.08414 0.56197 -0.12346 -0.40175 86 2PX 0.10637 0.06330 0.03748 0.02795 -0.00542 87 2PY 0.08213 0.00692 -0.01941 -0.06956 0.02616 88 2PZ 0.10535 0.03861 0.07505 -0.05106 -0.09500 89 3S -0.62421 -0.20422 -1.90774 0.03828 2.71291 90 3PX -0.43464 -0.22633 -0.59745 0.29173 0.89804 91 3PY -0.20072 -0.02210 -0.41209 0.41585 1.27025 92 3PZ -0.40529 -0.17190 -0.25817 0.40067 1.29716 93 4XX -0.00590 -0.15230 0.12101 -0.19834 -0.08160 94 4YY 0.06995 0.04887 0.00245 -0.04168 0.00144 95 4ZZ -0.05188 0.09910 -0.07737 0.22898 0.07040 96 4XY -0.00329 0.04173 -0.00453 0.02388 -0.01587 97 4XZ 0.04863 0.05811 0.05502 -0.06696 0.00710 98 4YZ -0.01382 -0.05336 0.02840 -0.11093 0.01242 99 11 C 1S 0.01230 0.00339 -0.02932 -0.00466 0.01971 100 2S 0.34903 0.08865 -0.56109 -0.12293 0.40195 101 2PX 0.10633 0.06359 -0.03707 0.02795 0.00539 102 2PY -0.08206 -0.00677 -0.01966 0.06954 0.02608 103 2PZ 0.10505 0.03913 -0.07462 -0.05094 0.09513 104 3S -0.63006 -0.21951 1.90659 0.03198 -2.71278 105 3PX -0.43456 -0.23073 0.59498 0.28940 -0.89810 106 3PY 0.20181 0.02574 -0.41067 -0.41196 1.27118 107 3PZ -0.40439 -0.17343 0.25591 0.39661 -1.29748 108 4XX -0.00585 -0.15135 -0.12178 -0.19836 0.08186 109 4YY 0.06996 0.04889 -0.00202 -0.04170 -0.00141 110 4ZZ -0.05183 0.09851 0.07769 0.22899 -0.07065 111 4XY 0.00319 -0.04167 -0.00492 -0.02390 -0.01592 112 4XZ 0.04869 0.05856 -0.05446 -0.06704 -0.00704 113 4YZ 0.01381 0.05311 0.02874 0.11104 0.01234 114 12 C 1S 0.02392 -0.00354 -0.00683 0.03049 -0.00201 115 2S 0.22059 -0.04053 -0.01164 0.38662 -0.13156 116 2PX 0.09521 0.00136 0.04860 0.08846 -0.04661 117 2PY 0.00791 0.08458 0.06429 -0.07729 0.07146 118 2PZ 0.04001 0.00444 -0.04321 0.00865 -0.01684 119 3S -0.72256 -0.19771 -0.47750 -1.03484 1.48711 120 3PX -0.49303 -0.09067 -0.14361 -0.30346 -0.17432 121 3PY -0.42725 -0.06560 -0.29296 0.47353 -1.33022 122 3PZ -0.58859 -0.42324 0.46240 -0.24931 0.27819 123 4XX -0.00532 0.08765 0.09594 0.19343 -0.03495 124 4YY 0.06306 0.05487 0.02985 -0.05777 0.06508 125 4ZZ -0.04333 -0.15676 -0.12156 -0.07256 0.00201 126 4XY -0.00122 0.05306 -0.03327 0.04473 -0.05934 127 4XZ 0.07339 0.05157 0.01917 -0.00070 -0.01867 128 4YZ -0.00013 -0.09246 -0.07997 -0.16036 0.08192 129 13 C 1S -0.04200 -0.03934 0.02418 0.00606 0.02050 130 2S -0.63805 -0.62059 0.27120 0.37983 0.22949 131 2PX 0.18521 -0.11373 -0.14742 -0.00644 0.08327 132 2PY -0.01361 0.10139 0.05262 -0.06497 0.01100 133 2PZ 0.00066 0.20084 0.08364 -0.15528 0.03375 134 3S 1.87324 1.35070 -1.31006 0.00291 -1.58460 135 3PX -0.37773 0.22492 0.85269 -0.05254 -0.28355 136 3PY 0.53951 0.18518 0.30647 0.18272 0.32654 137 3PZ -0.11670 -0.40721 -0.29707 -0.02031 0.36244 138 4XX -0.07912 -0.08715 -0.02668 -0.07002 0.05197 139 4YY -0.04828 -0.05723 -0.01129 0.00785 -0.00256 140 4ZZ 0.01809 0.07215 0.07512 0.09488 -0.03747 141 4XY 0.09061 0.07392 0.04427 0.07259 -0.02530 142 4XZ -0.00979 -0.00391 -0.08841 0.00100 0.00864 143 4YZ -0.01379 0.13557 0.04166 0.00572 0.02392 144 14 C 1S -0.04204 -0.03913 -0.02451 0.00597 -0.02050 145 2S -0.63871 -0.61826 -0.27694 0.37881 -0.22967 146 2PX 0.18535 -0.11485 0.14659 -0.00633 -0.08318 147 2PY 0.01367 -0.10185 0.05176 0.06512 0.01090 148 2PZ 0.00044 0.20151 -0.08181 -0.15558 -0.03359 149 3S 1.87628 1.33968 1.32101 0.00984 1.58394 150 3PX -0.37868 0.23163 -0.85091 -0.05339 0.28320 151 3PY -0.53823 -0.18737 0.30495 -0.18123 0.32708 152 3PZ -0.11575 -0.40960 0.29434 -0.02084 -0.36233 153 4XX -0.07913 -0.08730 0.02626 -0.07009 -0.05189 154 4YY -0.04831 -0.05726 0.01078 0.00787 0.00260 155 4ZZ 0.01806 0.07265 -0.07482 0.09484 0.03734 156 4XY -0.09062 -0.07426 0.04395 -0.07256 -0.02511 157 4XZ -0.00961 -0.00455 0.08845 0.00128 -0.00847 158 4YZ 0.01383 -0.13589 0.04055 -0.00559 0.02379 159 15 C 1S 0.02392 -0.00361 0.00676 0.03049 0.00198 160 2S 0.22096 -0.04086 0.01081 0.38710 0.13113 161 2PX 0.09513 0.00171 -0.04875 0.08878 0.04649 162 2PY -0.00760 -0.08501 0.06338 0.07757 0.07136 163 2PZ 0.03991 0.00411 0.04317 0.00884 0.01689 164 3S -0.72336 -0.20032 0.47695 -1.03877 -1.48587 165 3PX -0.49187 -0.09188 0.14362 -0.30293 0.17463 166 3PY 0.42560 0.06784 -0.29070 -0.47826 -1.32980 167 3PZ -0.58809 -0.41958 -0.46509 -0.25119 -0.27798 168 4XX -0.00536 0.08839 -0.09565 0.19320 0.03471 169 4YY 0.06295 0.05503 -0.02923 -0.05806 -0.06503 170 4ZZ -0.04320 -0.15766 0.12045 -0.07217 -0.00187 171 4XY 0.00109 -0.05285 -0.03367 -0.04503 -0.05941 172 4XZ 0.07337 0.05169 -0.01889 -0.00077 0.01854 173 4YZ 0.00025 0.09313 -0.07956 0.16049 0.08176 174 16 H 1S -0.06952 -0.04138 0.01202 0.19176 0.23512 175 2S -0.22162 -0.14753 -0.04743 0.24238 0.43602 176 17 H 1S -0.06907 -0.04121 -0.01287 0.19087 -0.23537 177 2S -0.22072 -0.14771 0.04567 0.24090 -0.43633 178 18 H 1S 0.24056 -0.08031 0.12260 0.04852 0.16419 179 2S 0.14733 0.05347 0.12100 -0.05540 0.33923 180 19 H 1S -0.15632 -0.17589 -0.07160 -0.03517 0.13021 181 2S -0.12879 -0.30952 -0.06331 0.14666 0.17675 182 20 H 1S -0.15621 -0.17636 0.07025 -0.03543 -0.13010 183 2S -0.12920 -0.30997 0.06044 0.14635 -0.17660 184 21 H 1S 0.24023 -0.07942 -0.12311 0.04771 -0.16431 185 2S 0.14678 0.05418 -0.12009 -0.05662 -0.33922 186 22 H 1S -0.17088 -0.21712 0.17168 0.02064 0.00126 187 2S -0.47057 0.10993 0.39355 0.00499 -0.05604 188 23 H 1S -0.17118 -0.21568 -0.17351 0.02045 -0.00127 189 2S -0.47115 0.11313 -0.39289 0.00432 0.05605 121 122 123 124 125 V V V V V Eigenvalues -- 1.43216 1.43860 1.47574 1.49204 1.52643 1 1 C 1S -0.00383 -0.01656 0.00715 0.02111 -0.00048 2 2S 0.00455 0.08895 0.14024 0.09088 0.17220 3 2PX 0.01489 -0.10476 -0.06916 0.00587 -0.07966 4 2PY -0.03606 -0.01772 0.00618 -0.03437 -0.05612 5 2PZ 0.01503 0.08288 0.02819 0.02016 0.02917 6 3S -0.11231 0.18765 -0.34390 0.74523 -0.30807 7 3PX -0.06454 0.01926 0.08189 0.98321 0.21189 8 3PY 0.12274 0.28198 0.09990 0.90171 0.22859 9 3PZ -0.07487 -0.57176 -0.02724 0.70296 0.03628 10 4XX 0.21486 -0.10745 -0.09951 0.02316 -0.07300 11 4YY -0.00059 -0.00390 0.03984 0.00395 0.03297 12 4ZZ -0.22851 0.06505 0.04315 0.06364 0.00138 13 4XY -0.14659 -0.01595 0.06086 -0.00413 -0.02555 14 4XZ -0.02634 0.04686 0.02053 -0.01961 0.01798 15 4YZ 0.19403 -0.04299 -0.07856 0.04874 0.01806 16 2 O 1S -0.00041 0.00258 -0.00128 0.05076 0.01114 17 2S -0.04586 -0.00019 0.00734 0.82334 0.14844 18 2PX 0.08913 0.12801 0.00102 0.02281 0.03665 19 2PY 0.02581 0.04644 0.00153 0.19768 0.05593 20 2PZ -0.02715 0.03067 0.04207 0.07319 -0.00274 21 3S 0.09556 0.03315 -0.00511 -2.36697 -0.47482 22 3PX -0.27688 -0.39645 -0.05296 -0.04344 -0.15549 23 3PY -0.10008 -0.14685 -0.02823 -0.79116 -0.27372 24 3PZ 0.13853 -0.08213 -0.17974 -0.16077 -0.03699 25 4XX -0.22350 0.16255 0.08904 0.13919 0.05496 26 4YY 0.02324 0.01317 -0.04500 0.39742 0.04819 27 4ZZ 0.15833 -0.16983 -0.04356 0.10224 0.01047 28 4XY 0.08476 0.11679 -0.01310 -0.03643 0.01815 29 4XZ 0.08436 -0.00778 -0.03150 0.15582 0.03342 30 4YZ -0.12883 -0.05683 0.06729 0.03023 0.01965 31 3 C 1S 0.00074 -0.00003 -0.00743 0.00000 -0.00682 32 2S 0.01640 -0.00030 -0.12544 -0.00008 -0.07196 33 2PX -0.00488 0.00005 0.01573 -0.00003 -0.06208 34 2PY -0.00009 -0.03480 -0.00005 -0.22520 0.00008 35 2PZ 0.03082 -0.00005 -0.04163 -0.00003 -0.01871 36 3S 0.03829 0.00088 0.46516 0.00040 0.66548 37 3PX 0.12279 -0.00041 -0.11295 0.00008 0.01767 38 3PY -0.00054 -0.28286 -0.00020 -0.72636 0.00026 39 3PZ -0.34183 0.00032 0.18418 -0.00014 -0.18305 40 4XX -0.09717 0.00004 0.02631 0.00000 -0.03335 41 4YY 0.02024 -0.00007 0.02671 -0.00002 0.04151 42 4ZZ 0.08014 0.00000 -0.04831 0.00003 -0.00089 43 4XY -0.00005 -0.21193 0.00006 0.06644 -0.00002 44 4XZ 0.03033 -0.00002 -0.04432 0.00003 0.03236 45 4YZ 0.00016 0.27122 0.00000 0.09132 -0.00003 46 4 C 1S -0.00379 0.01662 0.00717 -0.02111 -0.00046 47 2S 0.00427 -0.08797 0.14040 -0.09077 0.17235 48 2PX 0.01517 0.10447 -0.06916 -0.00590 -0.07966 49 2PY 0.03593 -0.01786 -0.00624 -0.03430 0.05616 50 2PZ 0.01497 -0.08275 0.02823 -0.02018 0.02919 51 3S -0.11274 -0.18969 -0.34507 -0.74552 -0.30796 52 3PX -0.06449 -0.01927 0.08184 -0.98311 0.21262 53 3PY -0.12074 0.28189 -0.09872 0.90160 -0.22919 54 3PZ -0.07437 0.57100 -0.02765 -0.70270 0.03672 55 4XX 0.21520 0.10721 -0.09944 -0.02330 -0.07297 56 4YY -0.00051 0.00408 0.03981 -0.00397 0.03298 57 4ZZ -0.22881 -0.06494 0.04311 -0.06350 0.00142 58 4XY 0.14659 -0.01639 -0.06083 -0.00403 0.02554 59 4XZ -0.02638 -0.04678 0.02054 0.01963 0.01796 60 4YZ -0.19399 -0.04276 0.07856 0.04872 -0.01809 61 5 H 1S 0.01684 -0.00015 -0.03691 -0.00001 -0.03041 62 2S 0.19140 -0.00036 -0.23562 -0.00008 -0.00643 63 6 H 1S -0.02909 -0.00001 -0.03792 -0.00005 -0.03859 64 2S -0.02216 0.00006 -0.00245 -0.00010 -0.13443 65 7 O 1S -0.00041 -0.00262 -0.00129 -0.05075 0.01117 66 2S -0.04557 -0.00001 0.00730 -0.82327 0.14897 67 2PX 0.08868 -0.12810 0.00093 -0.02272 0.03665 68 2PY -0.02571 0.04644 -0.00150 0.19766 -0.05605 69 2PZ -0.02740 -0.03056 0.04200 -0.07311 -0.00269 70 3S 0.09500 -0.03222 -0.00480 2.36668 -0.47633 71 3PX -0.27553 0.39618 -0.05273 0.04323 -0.15553 72 3PY 0.09954 -0.14698 0.02800 -0.79101 0.27425 73 3PZ 0.13946 0.08141 -0.17943 0.16048 -0.03708 74 4XX -0.22367 -0.16244 0.08904 -0.13909 0.05504 75 4YY 0.02321 -0.01323 -0.04504 -0.39742 0.04847 76 4ZZ 0.15873 0.16957 -0.04358 -0.10226 0.01051 77 4XY -0.08470 0.11688 0.01308 -0.03638 -0.01812 78 4XZ 0.08449 0.00770 -0.03145 -0.15585 0.03353 79 4YZ 0.12888 -0.05695 -0.06723 0.03009 -0.01965 80 8 H 1S -0.01362 0.10268 0.05898 -0.24376 0.04621 81 2S 0.03302 0.14203 0.06952 -0.38016 0.11101 82 9 H 1S -0.01357 -0.10256 0.05908 0.24377 0.04602 83 2S 0.03329 -0.14207 0.06983 0.38034 0.11070 84 10 C 1S -0.00005 -0.03417 0.00420 0.00385 0.00339 85 2S -0.06346 -0.63093 -0.15327 0.09938 -0.13750 86 2PX 0.05032 -0.00837 -0.08894 0.03792 -0.19639 87 2PY -0.06090 -0.00118 -0.08887 0.00141 -0.07032 88 2PZ -0.08114 -0.14281 -0.10373 0.05474 -0.03982 89 3S -0.34252 4.16513 -0.46551 -1.29777 -0.48047 90 3PX 0.08373 1.46193 0.14999 -0.99530 0.18008 91 3PY 0.50073 2.49383 0.53970 0.16393 0.59555 92 3PZ 0.27755 2.11298 0.14270 -1.13870 0.31898 93 4XX -0.21139 -0.12296 0.07432 -0.14263 0.17059 94 4YY 0.00854 0.00996 0.00941 0.01632 -0.07035 95 4ZZ 0.16891 0.11246 -0.07828 0.12421 -0.07494 96 4XY -0.03955 -0.01266 -0.09506 -0.01607 0.42475 97 4XZ 0.00128 -0.00775 -0.00427 -0.04650 0.09820 98 4YZ -0.03349 0.02789 0.17962 -0.03413 -0.26616 99 11 C 1S 0.00003 0.03418 0.00419 -0.00385 0.00340 100 2S -0.06197 0.63123 -0.15367 -0.09938 -0.13747 101 2PX 0.05033 0.00822 -0.08898 -0.03802 -0.19639 102 2PY 0.06092 -0.00139 0.08891 0.00148 0.07039 103 2PZ -0.08083 0.14305 -0.10383 -0.05480 -0.03977 104 3S -0.35302 -4.16446 -0.46426 1.29709 -0.48141 105 3PX 0.08012 -1.46197 0.15044 0.99528 0.17946 106 3PY -0.49479 2.49581 -0.54073 0.16320 -0.59547 107 3PZ 0.27237 -2.11374 0.14335 1.13884 0.31835 108 4XX -0.21108 0.12373 0.07429 0.14263 0.17044 109 4YY 0.00849 -0.00992 0.00942 -0.01635 -0.07030 110 4ZZ 0.16863 -0.11319 -0.07828 -0.12414 -0.07485 111 4XY 0.03954 -0.01268 0.09504 -0.01637 -0.42480 112 4XZ 0.00130 0.00789 -0.00432 0.04652 0.09816 113 4YZ 0.03354 0.02759 -0.17961 -0.03397 0.26611 114 12 C 1S -0.00106 -0.00084 -0.03063 0.03113 -0.00608 115 2S 0.01581 -0.20952 -0.35369 0.64127 0.04244 116 2PX 0.04995 -0.19432 -0.06781 0.11833 -0.00952 117 2PY -0.07896 0.06714 -0.03643 -0.04190 -0.03938 118 2PZ -0.00594 -0.09654 0.03729 -0.03273 0.02641 119 3S -0.01970 2.14058 1.31244 -2.40587 -0.17745 120 3PX -0.27394 0.16779 -0.12658 0.12797 -0.23782 121 3PY 0.49246 -1.88789 0.33181 0.76020 0.54511 122 3PZ -0.38698 0.68962 0.03784 0.54781 -0.83998 123 4XX 0.14736 -0.03061 -0.03533 -0.20757 0.05015 124 4YY -0.04475 0.07795 0.03743 0.07438 0.00711 125 4ZZ -0.11631 -0.00316 -0.03372 0.14438 -0.06456 126 4XY -0.01063 -0.03768 -0.25412 -0.00253 -0.01531 127 4XZ 0.10687 -0.01963 0.18618 -0.00473 0.01444 128 4YZ -0.10237 0.14881 0.08575 0.09060 0.06501 129 13 C 1S -0.00877 0.01126 0.02547 0.00801 -0.01520 130 2S -0.07668 0.10885 0.31937 0.14596 -0.17875 131 2PX -0.11632 0.14134 -0.01984 -0.00554 -0.05064 132 2PY -0.01536 0.00998 -0.01876 -0.03491 0.04838 133 2PZ -0.02672 0.05522 0.00838 -0.10765 -0.09700 134 3S 0.60400 -1.66380 -0.92379 0.13082 0.98817 135 3PX 0.27223 -0.75709 0.16034 0.29074 0.03770 136 3PY 0.14060 0.05613 -0.25683 -0.06395 0.19484 137 3PZ -0.15492 0.73110 0.07756 -0.12540 -0.26377 138 4XX -0.08170 0.09659 -0.16001 -0.01248 0.03922 139 4YY -0.02740 0.00418 0.03122 0.01740 0.05399 140 4ZZ 0.09943 -0.10379 0.15502 0.01150 -0.09883 141 4XY 0.16099 -0.02426 0.28768 -0.04552 0.05581 142 4XZ -0.09815 0.01811 -0.20218 0.06223 -0.13133 143 4YZ -0.04301 0.01005 -0.06548 -0.02541 -0.19127 144 14 C 1S -0.00881 -0.01123 0.02546 -0.00801 -0.01517 145 2S -0.07704 -0.10908 0.31943 -0.14576 -0.17837 146 2PX -0.11655 -0.14114 -0.01971 0.00554 -0.05067 147 2PY 0.01542 0.00976 0.01878 -0.03491 -0.04835 148 2PZ -0.02693 -0.05487 0.00830 0.10758 -0.09710 149 3S 0.60871 1.66164 -0.92390 -0.13106 0.98742 150 3PX 0.27330 0.75645 0.15951 -0.29061 0.03770 151 3PY -0.13995 0.05749 0.25727 -0.06408 -0.19491 152 3PZ -0.15629 -0.73091 0.07825 0.12542 -0.26388 153 4XX -0.08192 -0.09638 -0.16002 0.01250 0.03911 154 4YY -0.02743 -0.00407 0.03116 -0.01736 0.05391 155 4ZZ 0.09968 0.10346 0.15508 -0.01154 -0.09863 156 4XY -0.16102 -0.02387 -0.28760 -0.04553 -0.05578 157 4XZ -0.09809 -0.01785 -0.20209 -0.06229 -0.13138 158 4YZ 0.04306 0.00989 0.06549 -0.02529 0.19130 159 15 C 1S -0.00106 0.00078 -0.03063 -0.03115 -0.00606 160 2S 0.01627 0.20854 -0.35365 -0.64138 0.04287 161 2PX 0.05037 0.19398 -0.06788 -0.11831 -0.00944 162 2PY 0.07922 0.06689 0.03655 -0.04191 0.03944 163 2PZ -0.00569 0.09659 0.03728 0.03274 0.02641 164 3S -0.02466 -2.13780 1.31318 2.40638 -0.17871 165 3PX -0.27394 -0.16682 -0.12610 -0.12812 -0.23801 166 3PY -0.49759 -1.88676 -0.33201 0.76041 -0.54553 167 3PZ -0.38864 -0.68848 0.03814 -0.54806 -0.83968 168 4XX 0.14746 0.03000 -0.03524 0.20764 0.05017 169 4YY -0.04505 -0.07784 0.03736 -0.07444 0.00717 170 4ZZ -0.11623 0.00358 -0.03373 -0.14440 -0.06462 171 4XY 0.01038 -0.03764 0.25405 -0.00266 0.01535 172 4XZ 0.10687 0.01943 0.18616 0.00467 0.01450 173 4YZ 0.10274 0.14828 -0.08582 0.09067 -0.06500 174 16 H 1S 0.17083 0.44231 0.09229 -0.12971 0.09594 175 2S 0.18712 0.85195 0.23689 -0.35036 0.29650 176 17 H 1S 0.16977 -0.44289 0.09246 0.12975 0.09588 177 2S 0.18515 -0.85264 0.23725 0.35056 0.29630 178 18 H 1S -0.06427 0.25053 -0.19611 0.00854 -0.13870 179 2S -0.21943 0.43223 -0.27297 -0.00665 -0.19649 180 19 H 1S -0.01733 0.18264 0.06168 0.03244 -0.07643 181 2S -0.28440 0.32842 0.15925 -0.17291 -0.09890 182 20 H 1S -0.01768 -0.18240 0.06180 -0.03253 -0.07632 183 2S -0.28518 -0.32793 0.15952 0.17307 -0.09892 184 21 H 1S -0.06505 -0.25076 -0.19622 -0.00861 -0.13874 185 2S -0.22075 -0.43214 -0.27315 0.00664 -0.19659 186 22 H 1S -0.01890 -0.13079 0.14756 0.17149 -0.01197 187 2S 0.07825 -0.20096 0.12162 0.03238 -0.03457 188 23 H 1S -0.01872 0.13085 0.14742 -0.17139 -0.01183 189 2S 0.07841 0.20101 0.12129 -0.03231 -0.03448 126 127 128 129 130 V V V V V Eigenvalues -- 1.58530 1.63999 1.66109 1.72044 1.72342 1 1 C 1S 0.04041 0.01150 0.02962 0.00005 0.02804 2 2S 0.60445 0.17811 0.43681 -0.07017 0.23448 3 2PX -0.05273 -0.03004 -0.15245 0.05058 -0.06214 4 2PY -0.06546 0.02312 -0.05150 -0.06819 -0.02254 5 2PZ 0.00401 -0.03319 0.03689 -0.00795 0.05293 6 3S -1.95212 -0.16104 -1.51052 0.29835 -1.27049 7 3PX -0.02000 0.73279 0.44821 0.16624 -0.10983 8 3PY 0.80043 -0.35712 0.20489 0.04279 0.70114 9 3PZ -0.31275 0.42177 0.50440 0.12419 0.00432 10 4XX -0.13150 -0.09399 0.25052 0.00260 0.10734 11 4YY 0.01154 0.00611 0.00871 0.02814 -0.02754 12 4ZZ 0.14566 0.11780 -0.23977 -0.03000 -0.03010 13 4XY -0.13909 -0.06844 0.04779 0.04203 0.33938 14 4XZ -0.05062 0.04515 -0.06149 0.05975 -0.19639 15 4YZ 0.14719 0.01667 0.15471 0.04131 -0.13425 16 2 O 1S -0.00354 0.02180 -0.00015 0.05705 -0.00343 17 2S -0.06710 0.45284 -0.05962 0.81992 0.01156 18 2PX 0.13679 -0.07079 0.01651 0.03079 0.04639 19 2PY 0.08826 0.04999 -0.02750 0.07802 0.15155 20 2PZ 0.12576 -0.05569 0.10643 -0.02439 0.07605 21 3S 0.23674 -1.24106 0.04538 -2.75024 0.08517 22 3PX -0.73364 0.36003 -0.25334 -0.19625 -0.55438 23 3PY -0.42510 -0.15265 -0.05207 -0.89495 -0.48515 24 3PZ -0.60152 0.22899 -0.24529 -0.12155 -0.58474 25 4XX 0.00875 0.20348 -0.27272 0.14542 0.00318 26 4YY -0.08102 0.11506 0.10910 0.38286 -0.10140 27 4ZZ 0.02454 -0.01750 0.14051 0.03601 0.11405 28 4XY -0.01820 -0.13342 0.15337 -0.04216 0.14750 29 4XZ -0.05819 0.10997 0.01007 0.24462 -0.08087 30 4YZ 0.08770 0.15768 -0.29336 0.07017 0.05622 31 3 C 1S -0.04133 0.00001 0.00000 -0.05842 -0.02186 32 2S -0.49553 0.00016 -0.00009 -0.84477 -0.20547 33 2PX 0.01205 -0.00001 -0.00001 -0.02717 -0.06458 34 2PY 0.00004 -0.01602 -0.08176 0.00004 0.00005 35 2PZ -0.09207 0.00004 -0.00002 -0.07426 -0.13702 36 3S 2.24346 -0.00071 0.00041 3.62641 1.60175 37 3PX -0.26798 0.00010 -0.00008 -0.60178 -0.20751 38 3PY 0.00009 0.03152 -0.23335 0.00015 0.00009 39 3PZ -0.11180 0.00003 -0.00013 -0.76174 0.11029 40 4XX 0.02131 -0.00002 -0.00002 -0.00165 -0.11156 41 4YY 0.05037 -0.00001 0.00002 0.14110 0.23130 42 4ZZ -0.03712 0.00002 0.00000 -0.11796 -0.09494 43 4XY -0.00004 0.03201 -0.10564 -0.00003 -0.00001 44 4XZ -0.01874 0.00004 0.00000 0.19814 -0.22667 45 4YZ 0.00004 -0.04261 0.13029 0.00004 0.00003 46 4 C 1S 0.04040 -0.01154 -0.02963 0.00005 0.02806 47 2S 0.60421 -0.17856 -0.43702 -0.07019 0.23466 48 2PX -0.05267 0.03007 0.15245 0.05056 -0.06215 49 2PY 0.06552 0.02310 -0.05145 0.06822 0.02264 50 2PZ 0.00408 0.03320 -0.03688 -0.00798 0.05289 51 3S -1.95110 0.16257 1.51100 0.29875 -1.27112 52 3PX -0.02042 -0.73278 -0.44817 0.16663 -0.10958 53 3PY -0.80112 -0.35647 0.20500 -0.04328 -0.70162 54 3PZ -0.31340 -0.42163 -0.50423 0.12482 0.00468 55 4XX -0.13149 0.09406 -0.25047 0.00266 0.10740 56 4YY 0.01158 -0.00610 -0.00873 0.02816 -0.02761 57 4ZZ 0.14558 -0.11794 0.23972 -0.03005 -0.03004 58 4XY 0.13904 -0.06846 0.04769 -0.04209 -0.33943 59 4XZ -0.05058 -0.04508 0.06153 0.05969 -0.19656 60 4YZ -0.14716 0.01675 0.15471 -0.04133 0.13420 61 5 H 1S -0.18728 0.00007 -0.00001 -0.12630 -0.17722 62 2S -0.33605 0.00008 -0.00002 -0.33210 -0.27343 63 6 H 1S -0.23758 0.00009 -0.00002 -0.28523 -0.09788 64 2S -0.17537 0.00004 -0.00003 -0.31568 -0.10284 65 7 O 1S -0.00354 -0.02179 0.00017 0.05705 -0.00343 66 2S -0.06716 -0.45273 0.05986 0.82002 0.01152 67 2PX 0.13682 0.07068 -0.01650 0.03081 0.04640 68 2PY -0.08830 0.05005 -0.02751 -0.07801 -0.15152 69 2PZ 0.12580 0.05562 -0.10646 -0.02440 0.07604 70 3S 0.23703 1.24070 -0.04627 -2.75076 0.08512 71 3PX -0.73382 -0.35947 0.25333 -0.19624 -0.55453 72 3PY 0.42532 -0.15288 -0.05183 0.89509 0.48531 73 3PZ -0.60165 -0.22859 0.24531 -0.12138 -0.58483 74 4XX 0.00868 -0.20352 0.27273 0.14537 0.00309 75 4YY -0.08099 -0.11501 -0.10888 0.38297 -0.10129 76 4ZZ 0.02452 0.01756 -0.14056 0.03604 0.11404 77 4XY 0.01823 -0.13342 0.15334 0.04209 -0.14749 78 4XZ -0.05821 -0.10990 -0.00993 0.24460 -0.08102 79 4YZ -0.08771 0.15774 -0.29334 -0.07000 -0.05618 80 8 H 1S 0.16762 -0.00476 -0.34683 -0.04703 0.33507 81 2S 0.33024 -0.10426 -0.44357 0.02302 0.31121 82 9 H 1S 0.16771 0.00461 0.34685 -0.04717 0.33486 83 2S 0.33039 0.10399 0.44355 0.02270 0.31077 84 10 C 1S 0.00886 -0.01622 -0.01319 0.00181 0.00715 85 2S 0.08471 -0.44156 -0.29765 0.04330 0.01895 86 2PX -0.01940 -0.14542 -0.08121 0.00716 -0.00718 87 2PY -0.03678 -0.02993 0.00644 0.10089 0.03034 88 2PZ -0.01437 -0.03085 -0.01757 -0.01864 -0.04836 89 3S -0.58773 1.82330 1.23417 0.06817 -0.30096 90 3PX -0.22953 1.09059 0.48686 -0.06823 -0.19700 91 3PY 0.24776 0.85212 0.67215 -0.29154 -0.08712 92 3PZ -0.11417 1.25700 0.61044 -0.08959 -0.08364 93 4XX -0.04479 0.24402 0.08629 -0.01705 -0.17760 94 4YY 0.03283 -0.01246 0.00086 -0.09011 -0.00054 95 4ZZ 0.04292 -0.20712 -0.08502 0.11971 0.20285 96 4XY 0.07917 0.01585 -0.01734 -0.12177 -0.03215 97 4XZ 0.03924 -0.06685 -0.03820 -0.04699 -0.02550 98 4YZ 0.04076 0.09576 0.05267 0.01506 0.00591 99 11 C 1S 0.00886 0.01621 0.01319 0.00180 0.00714 100 2S 0.08478 0.44151 0.29761 0.04305 0.01893 101 2PX -0.01926 0.14541 0.08119 0.00712 -0.00712 102 2PY 0.03671 -0.02995 0.00642 -0.10093 -0.03032 103 2PZ -0.01439 0.03088 0.01756 -0.01867 -0.04832 104 3S -0.58680 -1.82285 -1.23409 0.06979 -0.30095 105 3PX -0.22993 -1.09010 -0.48661 -0.06748 -0.19702 106 3PY -0.24857 0.85246 0.67225 0.29107 0.08724 107 3PZ -0.11431 -1.25665 -0.61020 -0.08877 -0.08374 108 4XX -0.04512 -0.24388 -0.08627 -0.01700 -0.17765 109 4YY 0.03290 0.01239 -0.00089 -0.09012 -0.00053 110 4ZZ 0.04317 0.20702 0.08504 0.11970 0.20293 111 4XY -0.07910 0.01588 -0.01732 0.12178 0.03216 112 4XZ 0.03927 0.06686 0.03819 -0.04704 -0.02558 113 4YZ -0.04069 0.09581 0.05269 -0.01509 -0.00591 114 12 C 1S -0.06584 0.00888 0.02091 -0.00380 -0.00655 115 2S -0.86138 0.21324 0.24322 0.00582 -0.14053 116 2PX -0.12194 0.04613 0.02962 0.01770 0.00300 117 2PY -0.03391 -0.05603 -0.01736 -0.01745 0.04921 118 2PZ 0.06050 -0.11514 -0.03245 0.09042 -0.03198 119 3S 2.89461 0.69999 -0.02519 0.21356 0.44761 120 3PX 0.56275 -0.18157 -0.19375 0.07347 0.04848 121 3PY 0.24695 -0.40103 -0.29750 -0.31100 -0.56063 122 3PZ 0.09271 0.11805 0.17420 0.12380 -0.11843 123 4XX 0.01476 0.21309 0.09796 0.05644 0.09150 124 4YY -0.05884 -0.01229 0.03552 -0.02373 -0.08413 125 4ZZ -0.01480 -0.20044 -0.09828 -0.01144 0.00680 126 4XY 0.13110 0.18227 0.08475 0.04357 0.02074 127 4XZ -0.08615 0.04663 -0.01104 -0.09248 -0.04632 128 4YZ -0.10425 -0.21155 -0.09608 0.16260 -0.01184 129 13 C 1S 0.02590 0.00193 0.01448 0.01471 0.00475 130 2S 0.33614 0.04595 0.26297 0.19186 0.08386 131 2PX 0.02978 0.06849 0.04864 0.04067 0.00010 132 2PY 0.00504 -0.00558 0.01057 0.07056 -0.04899 133 2PZ 0.05335 -0.03428 -0.02592 -0.06381 -0.05724 134 3S -1.44906 -0.34871 -0.94785 -0.58019 -0.14330 135 3PX 0.02070 -0.41046 -0.21786 -0.11537 0.01436 136 3PY -0.48970 0.20976 0.30305 -0.12983 0.17242 137 3PZ 0.32268 0.20091 0.00161 0.24883 0.19684 138 4XX -0.03716 0.00065 -0.00063 -0.04806 0.08653 139 4YY 0.01471 -0.02183 -0.01093 0.20144 0.05161 140 4ZZ 0.03350 0.01297 0.01292 -0.13259 -0.14714 141 4XY -0.00065 0.05655 0.00546 0.04800 -0.05440 142 4XZ 0.12914 0.07509 0.04101 -0.07496 -0.04506 143 4YZ 0.21143 0.06631 0.06005 0.10786 -0.20440 144 14 C 1S 0.02593 -0.00195 -0.01448 0.01468 0.00466 145 2S 0.33644 -0.04622 -0.26305 0.19155 0.08267 146 2PX 0.02974 -0.06850 -0.04865 0.04068 0.00011 147 2PY -0.00507 -0.00565 0.01055 -0.07055 0.04906 148 2PZ 0.05336 0.03426 0.02590 -0.06376 -0.05716 149 3S -1.45078 0.34990 0.94826 -0.57938 -0.13897 150 3PX 0.02147 0.41022 0.21780 -0.11526 0.01409 151 3PY 0.48955 0.20962 0.30297 0.12982 -0.17173 152 3PZ 0.32313 -0.20138 -0.00170 0.24872 0.19636 153 4XX -0.03703 -0.00069 0.00057 -0.04805 0.08645 154 4YY 0.01482 0.02180 0.01095 0.20148 0.05157 155 4ZZ 0.03328 -0.01290 -0.01288 -0.13266 -0.14704 156 4XY 0.00071 0.05658 0.00544 -0.04797 0.05437 157 4XZ 0.12914 -0.07523 -0.04112 -0.07498 -0.04523 158 4YZ -0.21144 0.06644 0.06014 -0.10780 0.20457 159 15 C 1S -0.06585 -0.00882 -0.02090 -0.00380 -0.00653 160 2S -0.86171 -0.21250 -0.24300 0.00580 -0.14037 161 2PX -0.12203 -0.04605 -0.02962 0.01772 0.00295 162 2PY 0.03378 -0.05601 -0.01734 0.01736 -0.04925 163 2PZ 0.06056 0.11514 0.03246 0.09037 -0.03209 164 3S 2.89524 -0.70239 0.02445 0.21407 0.44622 165 3PX 0.56283 0.18109 0.19355 0.07319 0.04827 166 3PY -0.24598 -0.40146 -0.29767 0.31158 0.56040 167 3PZ 0.09329 -0.11832 -0.17435 0.12365 -0.11877 168 4XX 0.01445 -0.21305 -0.09791 0.05643 0.09141 169 4YY -0.05874 0.01235 -0.03551 -0.02362 -0.08412 170 4ZZ -0.01455 0.20038 0.09822 -0.01154 0.00681 171 4XY -0.13096 0.18249 0.08482 -0.04367 -0.02079 172 4XZ -0.08634 -0.04651 0.01112 -0.09251 -0.04613 173 4YZ 0.10396 -0.21172 -0.09616 -0.16258 0.01175 174 16 H 1S -0.02223 0.27185 0.14158 -0.03426 -0.03784 175 2S 0.01967 0.52937 0.24160 -0.09412 -0.04118 176 17 H 1S -0.02226 -0.27175 -0.14152 -0.03411 -0.03784 177 2S 0.01962 -0.52927 -0.24151 -0.09385 -0.04123 178 18 H 1S -0.40063 -0.01162 0.04647 0.09514 0.09155 179 2S -0.42934 0.12559 0.12481 0.08774 0.24739 180 19 H 1S 0.10229 0.11403 0.05488 0.01352 0.05463 181 2S 0.14291 0.01885 0.21779 0.17267 -0.08158 182 20 H 1S 0.10231 -0.11415 -0.05488 0.01334 0.05438 183 2S 0.14280 -0.01873 -0.21783 0.17273 -0.08178 184 21 H 1S -0.40045 0.01185 -0.04640 0.09516 0.09163 185 2S -0.42907 -0.12550 -0.12481 0.08797 0.24743 186 22 H 1S 0.13087 -0.04108 0.04353 0.00961 0.03410 187 2S 0.13295 -0.18523 -0.02267 -0.03753 -0.05565 188 23 H 1S 0.13103 0.04094 -0.04357 0.00952 0.03376 189 2S 0.13315 0.18516 0.02264 -0.03757 -0.05600 131 132 133 134 135 V V V V V Eigenvalues -- 1.75845 1.77089 1.79419 1.86001 1.87778 1 1 C 1S -0.00438 0.00093 -0.01066 0.00721 0.01816 2 2S 0.02511 -0.01290 -0.11722 0.15387 0.34244 3 2PX -0.00488 -0.01379 -0.05844 -0.03458 0.09213 4 2PY 0.10171 -0.04666 -0.07249 0.00406 -0.02089 5 2PZ 0.09577 -0.03151 -0.02693 0.01799 0.19957 6 3S -0.55926 0.02121 -0.05556 -0.62404 -0.43752 7 3PX -0.66875 0.11355 0.00094 -0.02058 -0.01797 8 3PY -0.83855 0.08819 0.39908 -0.30303 0.01140 9 3PZ -0.98662 0.07820 0.28766 -0.09392 -0.18475 10 4XX 0.00615 0.01903 0.05972 0.01996 -0.08685 11 4YY 0.01857 0.02046 -0.03289 -0.00554 0.11511 12 4ZZ -0.08156 -0.05417 -0.03532 -0.03318 -0.06621 13 4XY -0.10622 0.07397 0.16397 -0.04416 -0.20454 14 4XZ 0.09140 0.07367 -0.11059 -0.00119 -0.13707 15 4YZ -0.02592 0.05061 0.00501 0.04273 -0.26332 16 2 O 1S -0.01604 0.02680 0.00079 -0.00054 0.00938 17 2S -0.12742 0.43377 0.07323 0.01527 0.12939 18 2PX -0.01724 0.01197 -0.05326 -0.01835 0.00222 19 2PY 0.04208 0.02616 0.06271 0.00843 0.03904 20 2PZ 0.02559 -0.01222 0.00890 0.00859 0.05849 21 3S 0.74902 -1.41981 -0.10881 0.04154 -0.41747 22 3PX -0.01992 -0.14221 -0.02432 -0.00796 0.09677 23 3PY 0.13123 -0.46525 -0.19558 0.00546 -0.16550 24 3PZ 0.02630 -0.09740 -0.15998 -0.01408 -0.09817 25 4XX 0.00920 0.05154 -0.01738 -0.02087 0.00732 26 4YY -0.16020 0.18230 -0.03371 0.01699 0.08542 27 4ZZ 0.01581 0.03330 0.09923 0.00421 0.00958 28 4XY 0.02326 -0.06692 0.12527 -0.00419 0.02808 29 4XZ 0.13666 0.16398 0.01423 0.05742 -0.07921 30 4YZ 0.05577 0.10453 -0.00221 0.01808 -0.15675 31 3 C 1S 0.00000 -0.02977 0.01146 0.00001 -0.03005 32 2S -0.00001 -0.45859 0.14949 0.00005 -0.28461 33 2PX 0.00002 0.02920 -0.09250 0.00002 0.07303 34 2PY 0.10023 -0.00003 -0.00008 0.01890 0.00004 35 2PZ 0.00000 -0.06274 -0.04585 -0.00001 0.02806 36 3S 0.00003 1.87822 0.00901 -0.00044 0.93820 37 3PX -0.00003 -0.31824 0.12492 0.00025 -0.72130 38 3PY 0.19503 -0.00002 -0.00017 -0.01325 0.00005 39 3PZ -0.00006 -0.47317 0.13215 -0.00006 0.04946 40 4XX 0.00000 0.03862 -0.15257 0.00000 0.15350 41 4YY 0.00006 0.15517 0.19578 0.00016 -0.39593 42 4ZZ -0.00006 -0.17952 -0.04509 -0.00017 0.27177 43 4XY -0.09812 0.00004 0.00005 -0.03607 -0.00008 44 4XZ 0.00000 0.05055 -0.12548 -0.00008 0.20777 45 4YZ 0.00609 0.00004 0.00006 0.06809 -0.00008 46 4 C 1S 0.00437 0.00094 -0.01068 -0.00722 0.01815 47 2S -0.02507 -0.01281 -0.11727 -0.15437 0.34196 48 2PX 0.00476 -0.01381 -0.05846 0.03452 0.09226 49 2PY 0.10182 0.04658 0.07231 0.00401 0.02097 50 2PZ -0.09579 -0.03142 -0.02684 -0.01821 0.19955 51 3S 0.55933 0.02038 -0.05560 0.62482 -0.43616 52 3PX 0.66895 0.11298 0.00026 0.02071 -0.01794 53 3PY -0.83891 -0.08740 -0.39867 -0.30277 -0.01136 54 3PZ 0.98656 0.07733 0.28682 0.09403 -0.18476 55 4XX -0.00618 0.01906 0.05966 -0.01983 -0.08681 56 4YY -0.01849 0.02049 -0.03282 0.00548 0.11498 57 4ZZ 0.08142 -0.05429 -0.03540 0.03315 -0.06604 58 4XY -0.10616 -0.07389 -0.16381 -0.04431 0.20432 59 4XZ -0.09130 0.07371 -0.11050 0.00145 -0.13700 60 4YZ -0.02611 -0.05059 -0.00494 0.04257 0.26341 61 5 H 1S 0.00005 -0.00292 0.01399 0.00021 -0.36280 62 2S 0.00003 -0.09472 -0.09017 0.00005 -0.08658 63 6 H 1S -0.00001 -0.20713 0.07898 -0.00002 -0.03280 64 2S 0.00001 -0.14020 -0.06812 -0.00004 0.20164 65 7 O 1S 0.01605 0.02679 0.00077 0.00054 0.00940 66 2S 0.12761 0.43370 0.07289 -0.01537 0.12952 67 2PX 0.01719 0.01194 -0.05322 0.01838 0.00220 68 2PY 0.04211 -0.02621 -0.06274 0.00853 -0.03891 69 2PZ -0.02562 -0.01219 0.00889 -0.00866 0.05844 70 3S -0.74959 -1.41920 -0.10766 -0.04144 -0.41811 71 3PX 0.02004 -0.14223 -0.02439 0.00799 0.09693 72 3PY 0.13136 0.46519 0.19540 0.00522 0.16542 73 3PZ -0.02618 -0.09732 -0.15987 0.01433 -0.09802 74 4XX -0.00926 0.05152 -0.01733 0.02090 0.00730 75 4YY 0.16026 0.18221 -0.03405 -0.01703 0.08569 76 4ZZ -0.01571 0.03331 0.09926 -0.00427 0.00946 77 4XY 0.02332 0.06686 -0.12537 -0.00408 -0.02789 78 4XZ -0.13649 0.16414 0.01429 -0.05725 -0.07936 79 4YZ 0.05581 -0.10452 0.00209 0.01790 0.15684 80 8 H 1S 0.17720 -0.04778 0.09545 -0.00928 0.26061 81 2S 0.60113 0.10175 0.21654 0.01289 -0.08194 82 9 H 1S -0.17730 -0.04767 0.09557 0.00905 0.26084 83 2S -0.60100 0.10224 0.21709 -0.01296 -0.08176 84 10 C 1S 0.01121 0.00161 0.00062 0.01332 0.01749 85 2S 0.12795 -0.04620 0.03936 -0.04286 0.13387 86 2PX -0.01438 0.02880 0.06886 -0.03681 0.04030 87 2PY 0.00453 -0.10434 -0.07965 -0.10485 0.01527 88 2PZ -0.01998 0.05754 0.12895 -0.06138 0.05683 89 3S -0.66146 0.03787 0.15136 -1.12860 -0.50270 90 3PX -0.42122 -0.01446 0.38245 -0.36606 -0.20991 91 3PY -0.18819 0.12046 0.49030 -0.44259 0.04650 92 3PZ -0.38487 -0.05044 0.43190 -0.50683 -0.15014 93 4XX -0.00175 -0.02478 0.17804 -0.03275 0.00838 94 4YY -0.01876 0.17841 -0.02466 -0.12599 0.01553 95 4ZZ -0.02495 -0.15693 -0.15849 0.13243 0.04059 96 4XY -0.03982 0.08699 0.00660 0.05161 0.00716 97 4XZ 0.11752 -0.10993 -0.22748 0.01537 -0.28997 98 4YZ 0.01836 0.01902 -0.20111 -0.00359 -0.00601 99 11 C 1S -0.01122 0.00162 0.00062 -0.01335 0.01747 100 2S -0.12821 -0.04603 0.03929 0.04241 0.13393 101 2PX 0.01443 0.02879 0.06882 0.03659 0.04034 102 2PY 0.00485 0.10435 0.07950 -0.10489 -0.01546 103 2PZ 0.02014 0.05755 0.12894 0.06119 0.05692 104 3S 0.66209 0.03661 0.15297 1.12960 -0.50121 105 3PX 0.42204 -0.01511 0.38282 0.36608 -0.20943 106 3PY -0.18956 -0.11991 -0.49117 -0.44216 -0.04667 107 3PZ 0.38582 -0.05122 0.43268 0.50660 -0.14959 108 4XX 0.00203 -0.02477 0.17811 0.03254 0.00840 109 4YY 0.01891 0.17839 -0.02464 0.12612 0.01571 110 4ZZ 0.02451 -0.15698 -0.15861 -0.13249 0.04040 111 4XY -0.04003 -0.08691 -0.00651 0.05160 -0.00700 112 4XZ -0.11786 -0.10981 -0.22732 -0.01458 -0.28997 113 4YZ 0.01857 -0.01897 0.20115 -0.00363 0.00605 114 12 C 1S -0.02082 0.00894 0.01307 0.01184 -0.00027 115 2S -0.21939 -0.15001 0.42540 -0.02974 -0.08276 116 2PX 0.01549 -0.10630 0.05178 -0.04967 -0.09438 117 2PY -0.08137 0.01627 -0.17800 0.05552 -0.03120 118 2PZ 0.16310 -0.16024 0.07976 -0.02022 -0.01131 119 3S 1.44322 0.16595 -1.04348 -0.80886 0.31480 120 3PX 0.50954 0.19337 0.05057 0.53080 0.05506 121 3PY -0.00162 -0.12669 1.24089 0.64340 -0.40436 122 3PZ 0.64791 0.22883 -0.24932 -0.03697 -0.19183 123 4XX 0.03787 0.00107 0.03388 -0.00860 0.15834 124 4YY -0.00260 -0.04570 -0.07290 0.12223 -0.12107 125 4ZZ 0.01896 0.08845 0.02356 -0.11675 0.04437 126 4XY -0.13115 -0.12423 -0.15878 -0.36417 -0.14626 127 4XZ -0.14275 0.03967 -0.01926 0.33704 -0.15190 128 4YZ -0.03612 -0.24404 0.06028 -0.09700 0.01481 129 13 C 1S 0.12517 -0.00040 -0.00853 -0.00077 -0.00966 130 2S 1.56368 0.14080 -0.14262 -0.27126 -0.08535 131 2PX 0.02244 0.05757 0.02214 0.12185 0.03207 132 2PY 0.06203 -0.22716 0.09260 0.00459 -0.05462 133 2PZ -0.12563 0.09404 0.00635 0.05121 0.02303 134 3S -5.60474 -0.22203 0.62156 0.87229 0.29422 135 3PX -0.03142 -0.14676 -0.25723 -1.41125 -0.03044 136 3PY 0.91696 0.24855 -0.20241 -0.29295 0.22966 137 3PZ 0.81707 0.02733 -0.31852 -0.05393 0.08177 138 4XX 0.02079 0.10456 -0.10931 -0.23056 0.11881 139 4YY -0.02781 -0.30971 -0.03432 -0.03623 -0.07208 140 4ZZ 0.05513 0.19210 0.16320 0.28334 -0.03553 141 4XY -0.00588 -0.11450 0.01457 0.26245 0.02228 142 4XZ 0.08605 0.09072 0.10685 0.01461 -0.06952 143 4YZ 0.13273 -0.16749 0.36412 0.03445 -0.02343 144 14 C 1S -0.12519 -0.00029 -0.00839 0.00080 -0.00964 145 2S -1.56393 0.14216 -0.14068 0.27163 -0.08470 146 2PX -0.02244 0.05763 0.02201 -0.12189 0.03188 147 2PY 0.06202 0.22710 -0.09270 0.00468 0.05460 148 2PZ 0.12579 0.09398 0.00624 -0.05123 0.02293 149 3S 5.60587 -0.22676 0.61402 -0.87353 0.29218 150 3PX 0.03081 -0.14712 -0.25541 1.41139 -0.02834 151 3PY 0.91735 -0.24950 0.20124 -0.29276 -0.23027 152 3PZ -0.81759 0.02791 -0.31758 0.05391 0.08198 153 4XX -0.02103 0.10451 -0.10899 0.23052 0.11910 154 4YY 0.02742 -0.30980 -0.03423 0.03638 -0.07205 155 4ZZ -0.05449 0.19227 0.16282 -0.28349 -0.03586 156 4XY -0.00568 0.11443 -0.01430 0.26270 -0.02194 157 4XZ -0.08586 0.09079 0.10718 -0.01467 -0.06961 158 4YZ 0.13232 0.16723 -0.36440 0.03507 0.02338 159 15 C 1S 0.02083 0.00893 0.01302 -0.01184 -0.00030 160 2S 0.21977 -0.15006 0.42500 0.02932 -0.08292 161 2PX -0.01567 -0.10627 0.05185 0.04978 -0.09433 162 2PY -0.08105 -0.01615 0.17806 0.05530 0.03130 163 2PZ -0.16315 -0.16007 0.07991 0.02011 -0.01120 164 3S -1.44464 0.16650 -1.04005 0.80940 0.31664 165 3PX -0.50912 0.19388 0.05027 -0.53063 0.05445 166 3PY -0.00402 0.12636 -1.23967 0.64399 0.40516 167 3PZ -0.64821 0.22926 -0.24853 0.03788 -0.19181 168 4XX -0.03787 0.00116 0.03395 0.00814 0.15843 169 4YY 0.00264 -0.04582 -0.07299 -0.12196 -0.12125 170 4ZZ -0.01898 0.08852 0.02364 0.11684 0.04449 171 4XY -0.13080 0.12445 0.15846 -0.36449 0.14577 172 4XZ 0.14286 0.03969 -0.01980 -0.33670 -0.15241 173 4YZ -0.03589 0.24410 -0.06020 -0.09690 -0.01497 174 16 H 1S -0.12061 0.05690 0.39231 -0.13930 0.12559 175 2S -0.17639 0.00030 0.22475 -0.18618 -0.04277 176 17 H 1S 0.12121 0.05670 0.39245 0.13878 0.12572 177 2S 0.17697 -0.00003 0.22502 0.18599 -0.04264 178 18 H 1S -0.13486 0.06210 -0.09438 -0.13473 0.14740 179 2S -0.17839 -0.00713 -0.38271 -0.15257 0.13369 180 19 H 1S 0.43475 0.00242 -0.03730 0.28166 -0.05716 181 2S 0.33047 0.06379 0.15439 0.34543 -0.13392 182 20 H 1S -0.43472 0.00287 -0.03718 -0.28144 -0.05750 183 2S -0.33036 0.06417 0.15434 -0.34535 -0.13448 184 21 H 1S 0.13449 0.06199 -0.09445 0.13470 0.14747 185 2S 0.17742 -0.00730 -0.38264 0.15267 0.13377 186 22 H 1S 0.40221 -0.04115 -0.08498 -0.20791 -0.09670 187 2S 0.24804 -0.03887 -0.04010 -0.39225 -0.06928 188 23 H 1S -0.40239 -0.04084 -0.08425 0.20816 -0.09637 189 2S -0.24800 -0.03874 -0.03918 0.39228 -0.06868 136 137 138 139 140 V V V V V Eigenvalues -- 1.88534 1.90842 1.93562 1.95825 1.97652 1 1 C 1S -0.00834 0.01017 -0.00142 -0.01408 -0.00149 2 2S -0.12225 0.02877 0.13475 -0.13354 0.21071 3 2PX 0.01880 0.08770 -0.07047 0.06269 0.12024 4 2PY -0.18557 0.00131 -0.00897 0.04382 -0.02250 5 2PZ 0.02121 0.05416 -0.04894 -0.02411 0.07389 6 3S -0.22287 0.10124 -0.25633 0.61528 0.17566 7 3PX 0.07282 -0.01352 0.06521 0.08250 -0.17781 8 3PY -0.80624 -0.07288 -0.04001 -0.01409 -0.29261 9 3PZ -0.63153 0.06608 -0.25004 0.35392 -0.34256 10 4XX 0.00750 0.04180 -0.13789 -0.01646 -0.10740 11 4YY -0.04537 0.02477 0.08115 0.04652 0.10524 12 4ZZ 0.03295 -0.02750 0.00749 0.00816 -0.01188 13 4XY 0.27374 -0.03980 -0.00621 0.03156 0.09443 14 4XZ 0.17029 -0.17999 0.14908 -0.05905 -0.22131 15 4YZ 0.05615 -0.13134 0.22153 -0.02829 0.22525 16 2 O 1S 0.01509 0.01041 -0.01791 0.01368 -0.01447 17 2S -0.01766 0.26999 -0.24385 -0.03189 0.29001 18 2PX 0.00857 -0.05245 0.06140 -0.03517 -0.05733 19 2PY -0.21164 0.03273 -0.02571 -0.07732 0.09353 20 2PZ -0.05545 -0.00191 -0.07250 -0.09207 -0.13561 21 3S -0.17674 -0.76195 0.83171 -0.28293 -0.27899 22 3PX -0.05452 0.15236 -0.20868 0.15342 -0.06844 23 3PY 0.29765 -0.19197 0.27847 0.07037 -0.02869 24 3PZ 0.14140 -0.01408 0.20867 0.18059 0.27606 25 4XX -0.07846 0.05581 -0.05237 0.00811 -0.03641 26 4YY 0.44210 0.11110 -0.10672 0.08131 0.07373 27 4ZZ -0.29942 -0.01668 0.01180 -0.03814 0.05523 28 4XY -0.24521 0.00658 -0.11391 0.05724 -0.15989 29 4XZ -0.17130 -0.00814 -0.07742 -0.04324 -0.21516 30 4YZ -0.12694 -0.06804 0.13195 0.02405 0.12338 31 3 C 1S -0.00001 -0.01995 0.01314 -0.00002 -0.02276 32 2S -0.00013 -0.21819 0.13216 -0.00017 -0.06180 33 2PX 0.00005 0.01871 0.04899 -0.00003 -0.00808 34 2PY -0.04619 -0.00001 0.00007 0.10075 -0.00114 35 2PZ 0.00001 -0.00156 -0.00196 -0.00001 -0.03358 36 3S 0.00032 0.83137 -0.80875 0.00091 0.47130 37 3PX -0.00027 -0.40618 0.51732 -0.00045 0.37573 38 3PY -0.19170 0.00002 0.00001 -0.04591 0.00066 39 3PZ -0.00002 -0.04822 -0.11529 0.00005 -0.39536 40 4XX 0.00009 0.08994 0.10171 -0.00005 0.28097 41 4YY -0.00019 -0.16361 -0.00984 -0.00002 -0.30435 42 4ZZ 0.00012 0.09567 -0.09591 0.00008 0.02634 43 4XY 0.05572 0.00003 0.00009 0.16920 -0.00148 44 4XZ 0.00008 0.10485 -0.11035 0.00010 -0.07874 45 4YZ 0.10777 -0.00005 0.00004 0.09150 -0.00161 46 4 C 1S 0.00836 0.01018 -0.00141 0.01408 -0.00138 47 2S 0.12257 0.02922 0.13458 0.13341 0.21453 48 2PX -0.01874 0.08757 -0.07045 -0.06256 0.12006 49 2PY -0.18556 -0.00125 0.00907 0.04384 0.02209 50 2PZ -0.02111 0.05423 -0.04890 0.02421 0.07458 51 3S 0.22244 0.09910 -0.25627 -0.61509 0.16535 52 3PX -0.07285 -0.01365 0.06483 -0.08260 -0.17708 53 3PY -0.80631 0.07375 0.04032 -0.01425 0.29424 54 3PZ 0.63113 0.06507 -0.25081 -0.35353 -0.34510 55 4XX -0.00759 0.04175 -0.13778 0.01664 -0.10824 56 4YY 0.04547 0.02469 0.08116 -0.04663 0.10594 57 4ZZ -0.03299 -0.02748 0.00737 -0.00817 -0.01181 58 4XY 0.27396 0.03981 0.00611 0.03156 -0.09332 59 4XZ -0.17032 -0.17976 0.14919 0.05874 -0.22195 60 4YZ 0.05631 0.13129 -0.22152 -0.02798 -0.22537 61 5 H 1S -0.00013 -0.16461 0.21636 -0.00018 0.02257 62 2S -0.00001 -0.10734 0.17347 -0.00017 0.12476 63 6 H 1S -0.00003 -0.05476 -0.13263 0.00005 -0.38087 64 2S 0.00009 0.06044 -0.06755 0.00004 -0.19193 65 7 O 1S -0.01508 0.01040 -0.01792 -0.01365 -0.01441 66 2S 0.01773 0.26970 -0.24365 0.03237 0.28754 67 2PX -0.00857 -0.05237 0.06137 0.03507 -0.05813 68 2PY -0.21167 -0.03265 0.02569 -0.07741 -0.09227 69 2PZ 0.05543 -0.00189 -0.07238 0.09216 -0.13675 70 3S 0.17657 -0.76102 0.83168 0.28140 -0.27443 71 3PX 0.05458 0.15201 -0.20869 -0.15317 -0.06864 72 3PY 0.29773 0.19170 -0.27847 0.07098 0.02712 73 3PZ -0.14135 -0.01412 0.20844 -0.18095 0.27716 74 4XX 0.07845 0.05577 -0.05240 -0.00803 -0.03675 75 4YY -0.44199 0.11110 -0.10657 -0.08114 0.07354 76 4ZZ 0.29937 -0.01677 0.01171 0.03818 0.05487 77 4XY -0.24522 -0.00650 0.11411 0.05707 0.15835 78 4XZ 0.17118 -0.00820 -0.07729 0.04333 -0.21493 79 4YZ -0.12700 0.06814 -0.13194 0.02418 -0.12452 80 8 H 1S 0.36621 0.12214 -0.22684 0.01858 -0.25840 81 2S 0.35114 -0.04417 0.01566 -0.05892 -0.19304 82 9 H 1S -0.36607 0.12230 -0.22666 -0.01820 -0.25927 83 2S -0.35124 -0.04389 0.01604 0.05896 -0.19273 84 10 C 1S 0.00130 -0.01173 0.00809 -0.00055 0.00030 85 2S -0.06138 -0.33199 -0.05933 -0.08512 0.04761 86 2PX -0.03101 -0.04514 0.02097 -0.05784 0.01307 87 2PY -0.04199 -0.10029 -0.08212 0.17773 0.07814 88 2PZ -0.02363 0.00544 0.01653 -0.05956 0.00788 89 3S -0.13806 0.61192 -0.13704 0.17762 -0.20625 90 3PX -0.05619 0.25422 -0.13864 0.34555 0.05877 91 3PY -0.15301 0.10506 0.10854 -0.33972 -0.05131 92 3PZ -0.19345 0.21525 -0.02326 0.46799 0.09405 93 4XX 0.01903 -0.15567 -0.20997 -0.10439 0.10904 94 4YY -0.03070 0.21580 0.20240 0.01462 -0.12256 95 4ZZ -0.00115 -0.14543 0.00765 0.05823 -0.00009 96 4XY 0.03812 -0.03271 0.01409 -0.09669 -0.19703 97 4XZ 0.06250 0.12711 -0.14362 -0.11621 0.04771 98 4YZ 0.01233 -0.14870 -0.00697 -0.15039 -0.20391 99 11 C 1S -0.00129 -0.01173 0.00808 0.00054 0.00031 100 2S 0.06128 -0.33211 -0.05907 0.08539 0.04611 101 2PX 0.03100 -0.04516 0.02111 0.05788 0.01260 102 2PY -0.04194 0.10044 0.08230 0.17751 -0.07730 103 2PZ 0.02363 0.00539 0.01668 0.05959 0.00741 104 3S 0.13799 0.61165 -0.13719 -0.17786 -0.20370 105 3PX 0.05610 0.25406 -0.13908 -0.34541 0.05854 106 3PY -0.15319 -0.10524 -0.10885 -0.33952 0.04822 107 3PZ 0.19346 0.21508 -0.02386 -0.46795 0.09404 108 4XX -0.01914 -0.15562 -0.20982 0.10484 0.10954 109 4YY 0.03081 0.21565 0.20244 -0.01504 -0.12321 110 4ZZ 0.00116 -0.14532 0.00749 -0.05822 0.00008 111 4XY 0.03809 0.03264 -0.01399 -0.09661 0.19598 112 4XZ -0.06259 0.12720 -0.14347 0.11627 0.04862 113 4YZ 0.01236 0.14874 0.00677 -0.15033 0.20386 114 12 C 1S 0.00093 0.00088 -0.00048 -0.02240 0.00845 115 2S -0.06240 -0.07428 -0.00419 -0.45079 -0.14170 116 2PX -0.02050 0.03815 -0.06489 -0.04121 0.10318 117 2PY -0.06498 -0.02100 -0.06615 0.15554 0.12440 118 2PZ 0.04862 -0.01928 0.02251 -0.05139 0.06944 119 3S 0.27091 -0.14487 0.11441 1.31335 -0.14255 120 3PX 0.18412 0.20338 0.21440 -0.07926 -0.23877 121 3PY 0.21502 0.34592 -0.24165 0.16956 -0.17795 122 3PZ 0.03377 0.25686 -0.17252 0.13906 -0.16142 123 4XX 0.03815 -0.09736 0.18800 -0.25777 -0.00249 124 4YY -0.10529 -0.03097 -0.08151 0.40751 0.00143 125 4ZZ 0.08162 0.07850 -0.04244 -0.09340 -0.03834 126 4XY -0.04954 -0.01416 -0.29689 0.13423 0.06848 127 4XZ -0.01284 0.25129 -0.01005 -0.11376 0.09532 128 4YZ -0.07512 -0.04729 0.10393 -0.15453 0.06339 129 13 C 1S 0.03184 0.03099 0.00551 0.00094 -0.01537 130 2S 0.31294 -0.12493 -0.24120 -0.14922 -0.04509 131 2PX 0.02999 0.00918 -0.06671 -0.02872 -0.05586 132 2PY -0.00272 0.08249 0.11094 0.10590 -0.05527 133 2PZ -0.01176 0.02291 0.01427 0.08716 0.03091 134 3S -1.12378 -0.29525 0.19051 0.13732 0.32739 135 3PX -0.19265 -0.10184 -0.10131 0.52024 0.16787 136 3PY 0.21089 -0.29201 -0.05818 -0.60677 0.18080 137 3PZ 0.16977 -0.03772 0.05724 -0.36512 -0.12725 138 4XX -0.01098 -0.29050 -0.00254 -0.07563 0.10338 139 4YY -0.02387 0.32146 0.22699 -0.05304 -0.18741 140 4ZZ 0.03319 -0.02370 -0.18615 0.16055 0.08893 141 4XY -0.01944 -0.13206 -0.24615 -0.05102 -0.00584 142 4XZ 0.06171 0.21203 -0.09420 0.16619 -0.05314 143 4YZ -0.00770 -0.04109 0.01622 0.30080 -0.02986 144 14 C 1S -0.03183 0.03103 0.00553 -0.00095 -0.01521 145 2S -0.31314 -0.12479 -0.24047 0.14964 -0.04573 146 2PX -0.03001 0.00932 -0.06666 0.02882 -0.05571 147 2PY -0.00276 -0.08244 -0.11084 0.10612 0.05556 148 2PZ 0.01179 0.02296 0.01396 -0.08719 0.03183 149 3S 1.12407 -0.29611 0.18892 -0.13741 0.32520 150 3PX 0.19253 -0.10281 -0.10226 -0.52021 0.16956 151 3PY 0.21090 0.29174 0.05711 -0.60706 -0.18296 152 3PZ -0.16976 -0.03760 0.05860 0.36506 -0.12953 153 4XX 0.01090 -0.29057 -0.00241 0.07559 0.10337 154 4YY 0.02402 0.32142 0.22712 0.05245 -0.18789 155 4ZZ -0.03326 -0.02359 -0.18647 -0.15997 0.08953 156 4XY -0.01925 0.13196 0.24593 -0.05124 0.00765 157 4XZ -0.06174 0.21226 -0.09455 -0.16617 -0.05213 158 4YZ -0.00761 0.04127 -0.01571 0.30066 0.03045 159 15 C 1S -0.00093 0.00090 -0.00047 0.02239 0.00865 160 2S 0.06227 -0.07412 -0.00375 0.45073 -0.13964 161 2PX 0.02039 0.03814 -0.06483 0.04137 0.10342 162 2PY -0.06494 0.02102 0.06642 0.15541 -0.12416 163 2PZ -0.04865 -0.01932 0.02272 0.05147 0.06869 164 3S -0.27073 -0.14557 0.11375 -1.31324 -0.14918 165 3PX -0.18386 0.20354 0.21472 0.07891 -0.24021 166 3PY 0.21510 -0.34612 0.24210 0.16909 0.17924 167 3PZ -0.03388 0.25697 -0.17280 -0.13906 -0.15908 168 4XX -0.03806 -0.09738 0.18863 0.25763 -0.00300 169 4YY 0.10526 -0.03108 -0.08210 -0.40736 -0.00009 170 4ZZ -0.08163 0.07861 -0.04251 0.09327 -0.03649 171 4XY -0.04937 0.01429 0.29707 0.13368 -0.06829 172 4XZ 0.01284 0.25155 -0.00997 0.11375 0.09546 173 4YZ -0.07506 0.04742 -0.10437 -0.15459 -0.06188 174 16 H 1S -0.10291 0.10261 0.07330 0.19717 0.17410 175 2S -0.07096 0.01803 -0.02614 0.03625 0.02125 176 17 H 1S 0.10297 0.10250 0.07306 -0.19712 0.17332 177 2S 0.07097 0.01803 -0.02621 -0.03615 0.02174 178 18 H 1S 0.00728 -0.00965 0.16393 -0.51617 0.04142 179 2S -0.15105 -0.14774 0.07187 -0.05861 0.06056 180 19 H 1S 0.12392 0.25369 0.17349 -0.12603 -0.08073 181 2S 0.13134 -0.00173 -0.06387 0.03151 -0.07966 182 20 H 1S -0.12377 0.25401 0.17380 0.12578 -0.08079 183 2S -0.13151 -0.00141 -0.06387 -0.03137 -0.07972 184 21 H 1S -0.00722 -0.00952 0.16459 0.51583 0.04357 185 2S 0.15105 -0.14774 0.07191 0.05843 0.06131 186 22 H 1S 0.09041 0.22362 -0.12154 0.12721 -0.08469 187 2S -0.01340 -0.03379 -0.02088 0.28868 0.07751 188 23 H 1S -0.09043 0.22363 -0.12173 -0.12717 -0.08377 189 2S 0.01335 -0.03400 -0.02139 -0.28876 0.07793 141 142 143 144 145 V V V V V Eigenvalues -- 1.97838 1.98101 2.00054 2.01937 2.04161 1 1 C 1S 0.01319 0.01667 0.00847 0.00491 0.00219 2 2S 0.43738 0.27295 -0.04444 0.16489 0.30805 3 2PX -0.00858 -0.12695 -0.12056 -0.04872 -0.03440 4 2PY 0.04917 -0.03937 -0.09401 0.20067 0.19564 5 2PZ 0.08685 -0.02034 -0.04857 0.05660 -0.01686 6 3S -1.15722 -1.15758 -0.52398 -0.20956 -0.08177 7 3PX 0.04965 0.25876 0.27709 0.15648 0.01620 8 3PY -0.20687 0.00756 0.39406 -0.09573 -0.43803 9 3PZ -0.30876 -0.17038 0.07150 0.09130 -0.23716 10 4XX -0.08921 -0.08131 -0.09507 0.33023 0.02767 11 4YY 0.07908 -0.05427 0.18179 -0.35604 -0.29927 12 4ZZ 0.00875 0.07438 -0.14916 0.05707 0.28466 13 4XY -0.12850 -0.00554 -0.07229 -0.12478 0.02141 14 4XZ -0.08571 0.09619 0.23361 0.06515 0.17928 15 4YZ 0.02078 0.02362 -0.11070 -0.25486 0.18329 16 2 O 1S 0.00899 -0.01997 -0.00314 0.02233 0.00280 17 2S -0.28596 -0.06958 -0.39930 0.05196 0.17504 18 2PX -0.11867 0.16841 0.06284 0.24744 0.05472 19 2PY -0.16554 0.14774 -0.06933 0.00237 0.03515 20 2PZ -0.14255 0.09002 0.01794 0.08268 0.12263 21 3S 0.50241 0.48063 0.83399 -0.45851 -0.38149 22 3PX 0.01717 -0.37140 -0.07057 -0.42623 -0.07601 23 3PY 0.19430 -0.08755 0.17942 -0.20344 -0.08804 24 3PZ 0.14412 -0.15409 0.01045 -0.01459 -0.29301 25 4XX -0.05332 0.08545 0.01653 -0.09482 0.10438 26 4YY -0.00456 -0.19258 -0.13275 -0.01325 0.09072 27 4ZZ -0.03972 0.03369 -0.04855 0.18365 -0.14726 28 4XY 0.19145 -0.03897 0.06276 -0.26873 0.02662 29 4XZ 0.03929 -0.11379 0.08635 0.02809 -0.01744 30 4YZ 0.14848 -0.09431 0.06429 0.06517 -0.22752 31 3 C 1S -0.00007 0.00000 0.03155 -0.02235 -0.03146 32 2S -0.00019 0.00000 0.08921 0.02836 -0.02698 33 2PX 0.00000 0.00000 0.09465 -0.04566 -0.12537 34 2PY 0.29484 -0.17772 -0.00006 0.00001 0.00004 35 2PZ -0.00005 0.00001 0.03846 -0.15602 -0.01712 36 3S 0.00122 -0.00007 -0.97392 0.82048 0.86581 37 3PX 0.00146 -0.00005 0.03279 0.54399 -0.39828 38 3PY -0.16775 0.13943 0.00002 0.00003 -0.00006 39 3PZ -0.00146 0.00007 0.15118 -0.47347 0.46215 40 4XX 0.00103 -0.00002 -0.04339 0.31220 -0.24928 41 4YY -0.00122 0.00001 0.15804 -0.06862 -0.06593 42 4ZZ 0.00018 -0.00001 -0.12889 -0.19927 0.34013 43 4XY 0.39408 -0.32190 -0.00005 0.00003 0.00008 44 4XZ -0.00022 -0.00003 0.11000 -0.11673 -0.35837 45 4YZ 0.41353 -0.30001 -0.00004 0.00003 -0.00001 46 4 C 1S -0.01321 -0.01668 0.00851 0.00491 0.00220 47 2S -0.43589 -0.27303 -0.04369 0.16479 0.30813 48 2PX 0.00949 0.12701 -0.12070 -0.04870 -0.03442 49 2PY 0.04949 -0.03926 0.09403 -0.20068 -0.19561 50 2PZ -0.08630 0.02033 -0.04848 0.05654 -0.01691 51 3S 1.15866 1.15798 -0.52632 -0.20958 -0.08184 52 3PX -0.05101 -0.25885 0.27752 0.15628 0.01643 53 3PY -0.20474 0.00767 -0.39401 0.09602 0.43785 54 3PZ 0.30602 0.17031 0.07116 0.09123 -0.23698 55 4XX 0.08818 0.08115 -0.09524 0.33027 0.02763 56 4YY -0.07798 0.05447 0.18176 -0.35614 -0.29922 57 4ZZ -0.00898 -0.07446 -0.14902 0.05712 0.28466 58 4XY -0.12934 -0.00568 0.07241 0.12474 -0.02144 59 4XZ 0.08401 -0.09630 0.23358 0.06524 0.17923 60 4YZ 0.01897 0.02351 0.11070 0.25478 -0.18343 61 5 H 1S 0.00015 -0.00005 0.21908 0.19775 -0.60094 62 2S 0.00053 -0.00002 0.00904 0.03178 -0.13657 63 6 H 1S -0.00135 0.00005 0.16958 -0.50496 0.10685 64 2S -0.00068 0.00001 0.13289 -0.24569 0.04503 65 7 O 1S -0.00912 0.01996 -0.00315 0.02233 0.00280 66 2S 0.28796 0.06975 -0.39958 0.05194 0.17511 67 2PX 0.11814 -0.16855 0.06287 0.24744 0.05475 68 2PY -0.16626 0.14771 0.06932 -0.00236 -0.03525 69 2PZ 0.14138 -0.09008 0.01790 0.08269 0.12263 70 3S -0.50381 -0.48077 0.83477 -0.45845 -0.38161 71 3PX -0.01753 0.37163 -0.07088 -0.42620 -0.07608 72 3PY 0.19428 -0.08761 -0.17945 0.20335 0.08822 73 3PZ -0.14177 0.15420 0.01039 -0.01454 -0.29301 74 4XX 0.05306 -0.08537 0.01654 -0.09483 0.10443 75 4YY 0.00502 0.19267 -0.13290 -0.01319 0.09059 76 4ZZ 0.04011 -0.03383 -0.04854 0.18360 -0.14715 77 4XY 0.19256 -0.03909 -0.06295 0.26877 -0.02662 78 4XZ -0.04093 0.11370 0.08628 0.02817 -0.01749 79 4YZ 0.14746 -0.09426 -0.06437 -0.06520 0.22759 80 8 H 1S -0.09646 -0.07611 0.16466 0.28132 -0.27927 81 2S 0.04949 -0.07053 0.21029 -0.03582 -0.09311 82 9 H 1S 0.09437 0.07591 0.16442 0.28141 -0.27932 83 2S -0.05095 0.07047 0.21017 -0.03573 -0.09321 84 10 C 1S 0.00029 0.00209 0.01314 -0.00284 0.01247 85 2S -0.16775 -0.20950 0.04751 -0.06074 0.08294 86 2PX -0.04687 -0.07247 -0.00703 -0.02302 0.00576 87 2PY -0.09962 -0.07511 0.11711 0.01897 0.06560 88 2PZ -0.04759 -0.07096 0.05063 0.02865 0.03878 89 3S 0.34168 0.16212 -0.65761 0.06120 -0.45339 90 3PX -0.01776 -0.05740 -0.13786 0.11157 -0.18141 91 3PY 0.37166 0.35476 -0.05289 0.05200 -0.10244 92 3PZ 0.00232 -0.00173 -0.09390 0.08021 -0.20344 93 4XX 0.05243 0.02214 0.08288 0.06098 0.03496 94 4YY -0.05978 -0.07539 -0.10620 -0.08432 -0.02088 95 4ZZ 0.01063 0.04642 0.05033 0.04574 0.01064 96 4XY 0.10793 0.11655 -0.24345 -0.02829 -0.07999 97 4XZ 0.10159 0.07892 -0.08652 0.00264 -0.14122 98 4YZ 0.01520 -0.05124 -0.32326 -0.08109 -0.12302 99 11 C 1S -0.00028 -0.00208 0.01314 -0.00284 0.01247 100 2S 0.16825 0.20965 0.04694 -0.06053 0.08279 101 2PX 0.04698 0.07249 -0.00721 -0.02299 0.00572 102 2PY -0.10042 -0.07537 -0.11691 -0.01907 -0.06557 103 2PZ 0.04771 0.07104 0.05045 0.02870 0.03874 104 3S -0.34389 -0.16273 -0.65657 0.06046 -0.45277 105 3PX 0.01827 0.05758 -0.13782 0.11141 -0.18126 106 3PY 0.37220 0.35497 0.05178 -0.05155 0.10217 107 3PZ -0.00154 0.00186 -0.09370 0.08000 -0.20324 108 4XX -0.05131 -0.02173 0.08301 0.06098 0.03498 109 4YY 0.05858 0.07505 -0.10655 -0.08429 -0.02096 110 4ZZ -0.01065 -0.04651 0.05054 0.04569 0.01071 111 4XY 0.10989 0.11712 0.24319 0.02836 0.07992 112 4XZ -0.10124 -0.07889 -0.08624 0.00257 -0.14114 113 4YZ 0.01731 -0.05054 0.32328 0.08108 0.12306 114 12 C 1S 0.02234 0.02595 -0.01446 -0.00220 -0.00017 115 2S 0.24171 0.16034 -0.71219 0.00303 -0.31271 116 2PX 0.03069 -0.00223 0.05458 0.04536 -0.01671 117 2PY -0.04077 0.00850 0.15625 0.01487 0.08939 118 2PZ -0.06675 -0.13078 0.08274 0.04346 -0.02940 119 3S -0.70936 -0.76964 1.44957 -0.11383 0.58165 120 3PX -0.14892 -0.12449 -0.01442 -0.00485 -0.12294 121 3PY -0.17958 0.01810 -0.63506 0.17831 -0.64172 122 3PZ 0.23287 0.47822 -0.12732 -0.17862 0.01671 123 4XX -0.02429 -0.15930 0.02149 -0.03446 0.00179 124 4YY -0.19616 -0.07377 -0.15612 0.05892 -0.07022 125 4ZZ 0.19984 0.23591 0.14181 -0.05439 0.11667 126 4XY -0.03856 0.02491 0.10303 -0.07688 -0.00350 127 4XZ 0.01689 0.02126 0.03520 0.07355 -0.00931 128 4YZ -0.14579 -0.26618 0.05109 0.06661 0.00904 129 13 C 1S 0.01803 0.02107 0.01873 -0.00579 0.00656 130 2S -0.03443 -0.17868 0.10135 -0.02138 -0.13098 131 2PX 0.01986 0.00591 0.00913 -0.03796 0.01767 132 2PY -0.03401 -0.02587 -0.06330 0.02080 -0.02105 133 2PZ 0.08600 0.14562 0.05686 -0.00166 0.07399 134 3S -0.33386 -0.09393 -0.61316 0.16369 -0.07776 135 3PX 0.13399 0.39280 0.03448 -0.06042 0.12345 136 3PY 0.28745 0.07733 0.01299 -0.01458 0.08594 137 3PZ -0.17707 -0.39904 0.17312 -0.07528 0.00384 138 4XX 0.01389 -0.06813 -0.03367 0.02156 -0.05655 139 4YY -0.05027 -0.06923 -0.00791 -0.03814 0.05103 140 4ZZ 0.04453 0.16890 0.06956 0.01609 0.03157 141 4XY -0.18358 -0.21498 -0.05177 -0.10348 0.03727 142 4XZ 0.09306 0.20596 0.01136 -0.03185 0.00573 143 4YZ -0.08454 0.00968 -0.10399 0.04267 -0.13141 144 14 C 1S -0.01813 -0.02105 0.01877 -0.00580 0.00656 145 2S 0.03402 0.17867 0.10102 -0.02122 -0.13113 146 2PX -0.02031 -0.00592 0.00920 -0.03797 0.01767 147 2PY -0.03349 -0.02572 0.06335 -0.02084 0.02107 148 2PZ -0.08566 -0.14550 0.05716 -0.00177 0.07410 149 3S 0.33611 0.09349 -0.61364 0.16372 -0.07772 150 3PX -0.13254 -0.39261 0.03475 -0.06067 0.12384 151 3PY 0.28591 0.07716 -0.01334 0.01486 -0.08616 152 3PZ 0.17606 0.39898 0.17256 -0.07499 0.00348 153 4XX -0.01329 0.06778 -0.03382 0.02151 -0.05655 154 4YY 0.04877 0.06907 -0.00809 -0.03808 0.05094 155 4ZZ -0.04356 -0.16835 0.06994 0.01605 0.03167 156 4XY -0.18352 -0.21495 0.05216 0.10333 -0.03711 157 4XZ -0.09344 -0.20592 0.01170 -0.03190 0.00578 158 4YZ -0.08409 0.00992 0.10402 -0.04274 0.13146 159 15 C 1S -0.02226 -0.02594 -0.01440 -0.00222 -0.00016 160 2S -0.24350 -0.16119 -0.71185 0.00293 -0.31264 161 2PX -0.02975 0.00245 0.05453 0.04535 -0.01673 162 2PY -0.04202 0.00809 -0.15628 -0.01491 -0.08940 163 2PZ 0.06734 0.13086 0.08246 0.04352 -0.02948 164 3S 0.70896 0.77034 1.44811 -0.11350 0.58137 165 3PX 0.14671 0.12402 -0.01445 -0.00473 -0.12308 166 3PY -0.17753 0.01881 0.63545 -0.17866 0.64206 167 3PZ -0.23419 -0.47812 -0.12623 -0.17881 0.01696 168 4XX 0.02417 0.15915 0.02128 -0.03444 0.00174 169 4YY 0.19610 0.07372 -0.15633 0.05912 -0.07034 170 4ZZ -0.20001 -0.23579 0.14226 -0.05461 0.11685 171 4XY -0.03931 0.02450 -0.10299 0.07686 0.00342 172 4XZ -0.01606 -0.02109 0.03525 0.07356 -0.00933 173 4YZ -0.14619 -0.26611 -0.05066 -0.06672 -0.00895 174 16 H 1S -0.09472 -0.05818 0.30289 0.06122 0.12983 175 2S 0.06156 0.04411 -0.07940 0.02742 -0.10690 176 17 H 1S 0.09651 0.05876 0.30274 0.06130 0.12980 177 2S -0.06146 -0.04415 -0.07920 0.02728 -0.10681 178 18 H 1S 0.26693 0.11501 0.07282 -0.05690 0.14400 179 2S 0.08933 0.06314 0.06730 -0.07637 0.16282 180 19 H 1S 0.00087 -0.01224 0.10610 0.03097 0.01854 181 2S 0.01075 -0.11443 0.02930 0.04750 -0.10335 182 20 H 1S -0.00137 0.01239 0.10619 0.03100 0.01850 183 2S -0.01142 0.11445 0.02926 0.04759 -0.10353 184 21 H 1S -0.26648 -0.11492 0.07325 -0.05718 0.14417 185 2S -0.08872 -0.06301 0.06751 -0.07648 0.16297 186 22 H 1S 0.08623 0.16886 0.05722 -0.08963 0.07397 187 2S 0.02218 0.12255 0.03640 0.02517 0.02159 188 23 H 1S -0.08676 -0.16867 0.05743 -0.08968 0.07404 189 2S -0.02150 -0.12247 0.03647 0.02512 0.02171 146 147 148 149 150 V V V V V Eigenvalues -- 2.08890 2.12024 2.14083 2.16019 2.23013 1 1 C 1S 0.00262 0.00049 0.00373 0.02931 0.00926 2 2S 0.03009 0.33161 0.22744 0.49896 0.01152 3 2PX -0.07180 -0.14977 -0.01853 0.01351 -0.02891 4 2PY -0.00542 0.00772 0.11567 0.20713 -0.07009 5 2PZ -0.04592 0.02248 0.03374 0.07227 -0.00195 6 3S -0.18354 -1.23127 -0.07263 -0.52670 -0.67226 7 3PX 0.23759 0.15637 -0.08352 -0.35553 -0.19294 8 3PY 0.15394 -0.12911 -0.30779 -0.47149 -0.42128 9 3PZ 0.20112 -0.63347 -0.20224 -0.40947 -0.26760 10 4XX 0.01382 -0.06099 0.04920 -0.15267 0.09906 11 4YY -0.04355 0.01534 -0.10324 -0.22266 -0.06344 12 4ZZ 0.02233 -0.09792 0.03671 0.42234 -0.03404 13 4XY -0.05161 -0.05827 0.05420 0.03061 -0.19495 14 4XZ 0.02510 0.41779 -0.01220 -0.16797 -0.07745 15 4YZ -0.04529 0.00706 0.01940 0.00808 0.34121 16 2 O 1S 0.00837 0.00358 -0.00121 0.01026 -0.00638 17 2S 0.02707 -0.40721 -0.09769 -0.16434 -0.09725 18 2PX 0.02102 0.12336 0.01852 -0.10023 0.04293 19 2PY 0.00424 -0.11674 -0.03762 -0.13014 -0.01730 20 2PZ 0.04384 0.05926 -0.05923 -0.07368 -0.06360 21 3S -0.25936 0.82583 0.30566 0.11079 0.36343 22 3PX 0.03692 -0.33793 -0.15698 -0.05111 -0.24579 23 3PY -0.11348 0.20460 0.14653 0.09940 0.13452 24 3PZ -0.12576 -0.09390 0.17306 -0.12516 0.17420 25 4XX 0.13467 -0.00353 -0.09127 -0.21682 -0.11195 26 4YY 0.02519 -0.08759 -0.06111 0.01734 -0.00476 27 4ZZ -0.12159 -0.04409 0.11959 0.19801 0.08559 28 4XY 0.09785 0.02204 -0.15998 0.00516 -0.29767 29 4XZ 0.04814 0.06929 -0.03877 0.05676 -0.05780 30 4YZ -0.09329 0.01362 0.10205 0.01136 0.24719 31 3 C 1S 0.00181 0.00000 -0.00353 -0.02379 0.00000 32 2S -0.06292 0.00010 0.11872 -0.54524 -0.00001 33 2PX 0.01953 -0.00003 -0.08055 0.08813 0.00002 34 2PY 0.00003 0.09743 0.00003 0.00001 0.02689 35 2PZ 0.00598 -0.00001 -0.03115 0.05960 0.00002 36 3S 0.19889 -0.00016 -0.19475 0.89127 -0.00005 37 3PX -0.36933 0.00031 0.56814 -0.79462 -0.00008 38 3PY -0.00004 -0.07224 0.00005 0.00004 0.03457 39 3PZ 0.29281 -0.00014 -0.40705 -0.46848 0.00008 40 4XX -0.07065 0.00010 0.01220 -0.37017 0.00001 41 4YY 0.05357 -0.00008 0.04683 0.32819 -0.00010 42 4ZZ 0.04975 -0.00003 -0.10220 0.04612 0.00009 43 4XY 0.00000 0.05182 -0.00005 -0.00010 -0.49486 44 4XZ -0.07272 -0.00003 0.18012 0.59066 -0.00009 45 4YZ 0.00002 0.11397 0.00005 0.00006 0.43027 46 4 C 1S 0.00260 -0.00051 0.00370 0.02931 -0.00926 47 2S 0.02962 -0.33179 0.22720 0.49892 -0.01164 48 2PX -0.07170 0.14982 -0.01851 0.01356 0.02892 49 2PY 0.00540 0.00770 -0.11570 -0.20715 -0.07005 50 2PZ -0.04596 -0.02245 0.03372 0.07223 0.00192 51 3S -0.18159 1.23191 -0.07091 -0.52650 0.67230 52 3PX 0.23756 -0.15646 -0.08345 -0.35559 0.19293 53 3PY -0.15450 -0.12901 0.30699 0.47162 -0.42144 54 3PZ 0.20183 0.63355 -0.20161 -0.40934 0.26756 55 4XX 0.01393 0.06114 0.04921 -0.15268 -0.09904 56 4YY -0.04356 -0.01538 -0.10322 -0.22265 0.06337 57 4ZZ 0.02233 0.09782 0.03670 0.42237 0.03411 58 4XY 0.05155 -0.05825 -0.05422 -0.03061 -0.19494 59 4XZ 0.02496 -0.41789 -0.01230 -0.16810 0.07740 60 4YZ 0.04533 0.00709 -0.01936 -0.00818 0.34122 61 5 H 1S -0.18795 0.00010 0.31883 0.05098 -0.00005 62 2S -0.11897 0.00007 0.06770 0.04135 0.00001 63 6 H 1S 0.11011 -0.00013 -0.08750 0.37360 0.00001 64 2S 0.14948 -0.00009 -0.26593 0.05204 0.00005 65 7 O 1S 0.00837 -0.00358 -0.00121 0.01026 0.00637 66 2S 0.02735 0.40730 -0.09754 -0.16422 0.09725 67 2PX 0.02095 -0.12333 0.01849 -0.10028 -0.04294 68 2PY -0.00428 -0.11676 0.03759 0.13013 -0.01732 69 2PZ 0.04384 -0.05934 -0.05920 -0.07367 0.06361 70 3S -0.26021 -0.82598 0.30516 0.11057 -0.36339 71 3PX 0.03724 0.33793 -0.15682 -0.05099 0.24585 72 3PY 0.11368 0.20455 -0.14636 -0.09934 0.13456 73 3PZ -0.12570 0.09419 0.17301 -0.12516 -0.17422 74 4XX 0.13466 0.00350 -0.09128 -0.21679 0.11200 75 4YY 0.02523 0.08758 -0.06107 0.01737 0.00469 76 4ZZ -0.12151 0.04416 0.11960 0.19798 -0.08558 77 4XY -0.09783 0.02215 0.15993 -0.00520 -0.29773 78 4XZ 0.04817 -0.06936 -0.03870 0.05673 0.05776 79 4YZ 0.09331 0.01357 -0.10208 -0.01139 0.24724 80 8 H 1S 0.09719 0.04064 -0.07798 -0.13450 0.14456 81 2S 0.15456 0.04295 -0.09111 -0.18505 0.08759 82 9 H 1S 0.09716 -0.04064 -0.07807 -0.13449 -0.14452 83 2S 0.15443 -0.04308 -0.09129 -0.18502 -0.08759 84 10 C 1S -0.02419 0.00766 0.00695 0.00305 -0.00496 85 2S -0.50736 0.37211 -0.10809 0.03800 0.03603 86 2PX -0.05222 0.14157 -0.00798 0.00351 -0.00810 87 2PY -0.16457 0.05259 -0.06208 0.02746 0.07314 88 2PZ -0.06287 0.11547 -0.02162 0.00766 -0.03319 89 3S 0.61270 -0.94789 -0.35113 -0.08725 -0.28715 90 3PX 0.36083 -0.37270 -0.04542 -0.05113 0.09290 91 3PY 0.22650 -0.32678 0.19139 -0.08943 -0.22236 92 3PZ 0.36905 -0.32225 -0.14617 0.00200 -0.13500 93 4XX -0.07834 0.04200 0.05238 -0.01363 0.09963 94 4YY 0.24082 0.11406 0.18197 -0.03690 0.03294 95 4ZZ -0.22869 -0.11385 -0.25468 0.06725 -0.18376 96 4XY -0.17194 0.08374 -0.04913 -0.05172 0.09621 97 4XZ 0.21380 -0.18804 -0.15467 0.01420 0.06076 98 4YZ -0.07714 -0.08035 0.00163 -0.06114 -0.18874 99 11 C 1S -0.02420 -0.00767 0.00693 0.00305 0.00496 100 2S -0.50750 -0.37216 -0.10817 0.03795 -0.03584 101 2PX -0.05221 -0.14156 -0.00783 0.00348 0.00816 102 2PY 0.16457 0.05265 0.06212 -0.02748 0.07305 103 2PZ -0.06286 -0.11547 -0.02155 0.00764 0.03323 104 3S 0.61386 0.94821 -0.34872 -0.08707 0.28720 105 3PX 0.36127 0.37275 -0.04479 -0.05094 -0.09300 106 3PY -0.22685 -0.32685 -0.19212 0.08948 -0.22219 107 3PZ 0.36946 0.32226 -0.14517 0.00211 0.13494 108 4XX -0.07827 -0.04204 0.05224 -0.01354 -0.09956 109 4YY 0.24072 -0.11403 0.18203 -0.03695 -0.03309 110 4ZZ -0.22868 0.11385 -0.25450 0.06719 0.18384 111 4XY 0.17206 0.08365 0.04906 0.05175 0.09623 112 4XZ 0.21385 0.18809 -0.15475 0.01423 -0.06077 113 4YZ 0.07716 -0.08041 -0.00152 0.06113 -0.18879 114 12 C 1S -0.00632 0.00566 -0.00620 0.00599 -0.00036 115 2S -0.02709 0.18581 0.02885 -0.13027 0.16849 116 2PX 0.11310 0.10395 0.02680 -0.00504 -0.01199 117 2PY -0.01553 0.04339 -0.03279 0.07842 -0.03847 118 2PZ 0.21728 0.01083 0.02862 -0.00449 0.02001 119 3S -0.13397 -0.69409 0.20315 -0.00864 -0.26054 120 3PX 0.16392 -0.42060 -0.44376 0.05228 0.04422 121 3PY 0.18483 0.14834 -0.35662 -0.25351 0.29808 122 3PZ -0.09339 0.06949 0.07504 -0.06427 -0.18476 123 4XX 0.19719 -0.22897 0.08151 0.02945 -0.14379 124 4YY -0.02415 0.09727 -0.17590 0.06595 0.14421 125 4ZZ -0.20284 0.06135 0.12660 -0.07182 -0.00866 126 4XY -0.04151 0.27312 0.16194 -0.11535 -0.07004 127 4XZ 0.10177 0.19426 -0.08323 0.06196 -0.02305 128 4YZ 0.09036 0.06865 -0.09298 0.05999 0.00263 129 13 C 1S -0.00782 0.01015 0.01554 -0.01200 -0.00445 130 2S 0.42803 0.26069 -0.19537 -0.04657 -0.11291 131 2PX -0.01441 -0.00897 0.02595 -0.02387 -0.03456 132 2PY -0.12056 -0.03418 0.08265 -0.03315 0.02767 133 2PZ -0.09788 -0.05367 0.09484 0.00015 0.00954 134 3S -0.16652 -0.44317 -0.12558 0.24001 0.51303 135 3PX 0.06213 0.09149 0.57232 -0.00768 0.04657 136 3PY 0.21708 0.15914 -0.09740 0.15054 -0.11281 137 3PZ 0.33246 0.00005 -0.17818 0.01215 -0.03824 138 4XX 0.41129 -0.14034 0.15279 0.01576 0.12123 139 4YY -0.21638 0.07226 0.17038 -0.06568 -0.01473 140 4ZZ -0.24209 0.03001 -0.24561 0.02988 -0.07162 141 4XY 0.00439 0.13831 0.42613 -0.10233 -0.10176 142 4XZ 0.03479 -0.05556 0.17108 -0.01766 -0.12119 143 4YZ 0.15238 -0.13881 -0.07740 -0.04710 0.00658 144 14 C 1S -0.00784 -0.01015 0.01554 -0.01200 0.00444 145 2S 0.42772 -0.26096 -0.19537 -0.04664 0.11291 146 2PX -0.01441 0.00897 0.02599 -0.02388 0.03454 147 2PY 0.12061 -0.03427 -0.08260 0.03316 0.02767 148 2PZ -0.09777 0.05371 0.09496 0.00018 -0.00957 149 3S -0.16595 0.44343 -0.12671 0.24014 -0.51285 150 3PX 0.06190 -0.09135 0.57248 -0.00755 -0.04670 151 3PY -0.21690 0.15927 0.09716 -0.15057 -0.11288 152 3PZ 0.33237 -0.00029 -0.17854 0.01212 0.03821 153 4XX 0.41126 0.14016 0.15277 0.01577 -0.12120 154 4YY -0.21629 -0.07205 0.17033 -0.06568 0.01468 155 4ZZ -0.24215 -0.03000 -0.24557 0.02988 0.07161 156 4XY -0.00444 0.13822 -0.42641 0.10251 -0.10167 157 4XZ 0.03460 0.05560 0.17069 -0.01760 0.12131 158 4YZ -0.15235 -0.13880 0.07772 0.04707 0.00662 159 15 C 1S -0.00634 -0.00564 -0.00624 0.00599 0.00036 160 2S -0.02761 -0.18559 0.02817 -0.13034 -0.16850 161 2PX 0.11302 -0.10392 0.02677 -0.00508 0.01196 162 2PY 0.01538 0.04340 0.03264 -0.07843 -0.03851 163 2PZ 0.21722 -0.01089 0.02859 -0.00453 -0.02006 164 3S -0.13265 0.69318 0.20527 -0.00835 0.26040 165 3PX 0.16408 0.42039 -0.44422 0.05234 -0.04401 166 3PY -0.18421 0.14815 0.35829 0.25361 0.29799 167 3PZ -0.09361 -0.06931 0.07516 -0.06431 0.18476 168 4XX 0.19731 0.22887 0.08155 0.02945 0.14378 169 4YY -0.02409 -0.09735 -0.17621 0.06599 -0.14405 170 4ZZ -0.20298 -0.06116 0.12685 -0.07186 0.00851 171 4XY 0.04158 0.27303 -0.16230 0.11540 -0.06997 172 4XZ 0.10172 -0.19419 -0.08321 0.06193 0.02309 173 4YZ -0.09038 0.06870 0.09286 -0.05995 0.00259 174 16 H 1S 0.09189 0.09757 0.14127 0.02320 0.04704 175 2S 0.12191 -0.14749 -0.03608 -0.01536 -0.05367 176 17 H 1S 0.09193 -0.09762 0.14133 0.02323 -0.04710 177 2S 0.12203 0.14750 -0.03574 -0.01534 0.05363 178 18 H 1S 0.01165 -0.04465 0.16782 0.02310 -0.12668 179 2S -0.10634 0.06177 0.15000 0.08950 -0.03820 180 19 H 1S -0.21132 0.04520 -0.40549 0.05429 -0.05606 181 2S -0.06027 0.05264 0.02609 -0.15335 -0.00850 182 20 H 1S -0.21127 -0.04518 -0.40544 0.05430 0.05614 183 2S -0.06024 -0.05266 0.02619 -0.15350 0.00845 184 21 H 1S 0.01162 0.04471 0.16813 0.02306 0.12658 185 2S -0.10624 -0.06172 0.15034 0.08952 0.03821 186 22 H 1S -0.10236 0.12167 0.36345 -0.08160 -0.12643 187 2S -0.02386 -0.01782 0.17089 -0.01682 0.05204 188 23 H 1S -0.10245 -0.12153 0.36358 -0.08160 0.12639 189 2S -0.02396 0.01788 0.17101 -0.01679 -0.05209 151 152 153 154 155 V V V V V Eigenvalues -- 2.25488 2.26203 2.27991 2.29193 2.30961 1 1 C 1S 0.00916 0.00587 0.01446 0.00440 -0.03591 2 2S 0.06241 0.06726 0.41234 0.33310 -0.81805 3 2PX 0.03244 -0.02025 0.01615 0.05089 -0.11570 4 2PY -0.01081 0.02195 0.15951 -0.00245 0.05839 5 2PZ 0.00215 -0.04073 0.03530 0.10890 -0.22819 6 3S -0.24742 -0.58198 -0.42674 -0.88701 3.33717 7 3PX -0.02446 0.12284 -0.08062 -0.32892 0.96856 8 3PY 0.10583 -0.24381 -0.23326 -0.65665 1.54192 9 3PZ -0.16558 -0.03453 -0.40157 -0.37914 1.84022 10 4XX 0.08589 -0.02580 0.33010 -0.17207 0.14920 11 4YY 0.02627 0.01465 -0.20867 0.01940 0.02552 12 4ZZ -0.10177 -0.01316 -0.14997 0.10853 -0.07793 13 4XY -0.03439 0.03345 -0.04763 0.01946 0.00137 14 4XZ 0.00419 0.14630 -0.16181 -0.20575 0.20459 15 4YZ 0.08962 -0.07224 0.14665 -0.02114 -0.06627 16 2 O 1S -0.00068 0.00381 0.01181 -0.01386 0.02468 17 2S -0.02153 -0.11112 -0.11461 0.16134 0.08558 18 2PX -0.01403 0.03722 0.00232 -0.11128 0.07197 19 2PY -0.00734 -0.03273 -0.05186 0.05842 -0.06705 20 2PZ 0.00969 0.02408 -0.05033 -0.03609 0.09274 21 3S 0.11247 0.14877 0.07766 0.08836 -1.26702 22 3PX -0.04675 -0.03949 -0.20886 0.15670 0.32706 23 3PY -0.01695 0.08059 -0.02038 0.01635 -0.15842 24 3PZ -0.04916 -0.03908 0.01841 -0.01347 -0.02194 25 4XX 0.15558 0.05812 0.44489 -0.02999 0.07564 26 4YY -0.03044 -0.00521 -0.04905 0.04239 0.07280 27 4ZZ -0.13747 -0.06480 -0.35879 -0.02552 -0.06350 28 4XY 0.02975 0.06703 0.10016 0.11043 0.04004 29 4XZ -0.03537 0.02323 -0.13954 -0.11871 0.32527 30 4YZ 0.01276 -0.07515 -0.01332 -0.13115 -0.08716 31 3 C 1S -0.00306 0.00000 -0.01733 0.00000 0.00001 32 2S -0.02635 -0.00005 -0.22519 -0.00001 0.00031 33 2PX -0.01466 0.00004 -0.00265 -0.00001 -0.00006 34 2PY -0.00001 0.02985 0.00003 -0.02849 -0.00328 35 2PZ -0.00714 0.00002 -0.00542 -0.00002 -0.00002 36 3S 0.14809 0.00001 0.59236 0.00011 -0.00052 37 3PX -0.09927 -0.00019 -0.38696 -0.00003 0.00047 38 3PY -0.00002 -0.00449 0.00002 0.05829 -0.00060 39 3PZ 0.03679 0.00016 -0.23915 -0.00004 0.00008 40 4XX 0.05832 0.00002 0.22070 -0.00001 -0.00033 41 4YY 0.02480 0.00001 0.17277 0.00005 -0.00017 42 4ZZ -0.08582 -0.00002 -0.39344 -0.00004 0.00046 43 4XY -0.00001 0.12317 0.00002 0.12011 0.18058 44 4XZ 0.07832 -0.00004 0.33387 0.00007 -0.00021 45 4YZ 0.00003 -0.11209 0.00003 -0.20549 -0.11514 46 4 C 1S 0.00917 -0.00587 0.01450 -0.00439 0.03589 47 2S 0.06254 -0.06748 0.41309 -0.33297 0.81738 48 2PX 0.03248 0.02028 0.01624 -0.05086 0.11568 49 2PY 0.01079 0.02206 -0.15945 -0.00248 0.05862 50 2PZ 0.00216 0.04072 0.03549 -0.10887 0.22817 51 3S -0.24828 0.58195 -0.42946 0.88685 -3.33642 52 3PX -0.02462 -0.12292 -0.08140 0.32886 -0.96821 53 3PY -0.10529 -0.24418 0.23447 -0.65662 1.54186 54 3PZ -0.16590 0.03458 -0.40306 0.37879 -1.83914 55 4XX 0.08589 0.02575 0.32998 0.17206 -0.14978 56 4YY 0.02634 -0.01451 -0.20865 -0.01940 -0.02515 57 4ZZ -0.10183 0.01310 -0.14994 -0.10852 0.07820 58 4XY 0.03434 0.03353 0.04765 0.01941 0.00136 59 4XZ 0.00414 -0.14635 -0.16204 0.20580 -0.20423 60 4YZ -0.08957 -0.07227 -0.14668 -0.02116 -0.06602 61 5 H 1S 0.04248 -0.00007 0.21634 0.00002 -0.00022 62 2S -0.10819 -0.00005 -0.07881 -0.00001 0.00016 63 6 H 1S 0.00468 0.00002 -0.01861 0.00000 0.00007 64 2S 0.02716 0.00011 0.07717 -0.00001 -0.00018 65 7 O 1S -0.00069 -0.00382 0.01178 0.01387 -0.02469 66 2S -0.02156 0.11118 -0.11459 -0.16133 -0.08524 67 2PX -0.01406 -0.03729 0.00223 0.11127 -0.07195 68 2PY 0.00734 -0.03274 0.05179 0.05842 -0.06713 69 2PZ 0.00966 -0.02404 -0.05038 0.03610 -0.09266 70 3S 0.11276 -0.14874 0.07860 -0.08838 1.26646 71 3PX -0.04679 0.03966 -0.20910 -0.15674 -0.32670 72 3PY 0.01686 0.08062 0.02032 0.01635 -0.15835 73 3PZ -0.04912 0.03890 0.01838 0.01346 0.02197 74 4XX 0.15561 -0.05813 0.44486 0.02999 -0.07645 75 4YY -0.03044 0.00529 -0.04914 -0.04237 -0.07275 76 4ZZ -0.13754 0.06468 -0.35874 0.02552 0.06427 77 4XY -0.02972 0.06693 -0.10011 0.11044 0.04045 78 4XZ -0.03543 -0.02315 -0.13983 0.11872 -0.32504 79 4YZ -0.01274 -0.07510 0.01333 -0.13116 -0.08736 80 8 H 1S -0.00905 -0.01743 -0.00123 0.06391 -0.22741 81 2S -0.01744 -0.05162 -0.15375 0.23164 -0.60865 82 9 H 1S -0.00902 0.01746 -0.00109 -0.06396 0.22744 83 2S -0.01735 0.05169 -0.15324 -0.23174 0.60896 84 10 C 1S 0.00533 0.02238 0.00025 -0.01260 -0.02775 85 2S 0.29594 0.28974 -0.03827 -0.17012 -0.54360 86 2PX 0.06236 -0.02085 -0.01868 0.03325 -0.11282 87 2PY 0.06908 -0.02379 -0.03764 0.04656 0.05102 88 2PZ 0.07942 0.02845 0.01434 -0.04474 -0.11639 89 3S -0.32214 -3.02056 -0.05345 1.28983 2.45130 90 3PX -0.23233 -0.87993 -0.07234 0.80729 1.07158 91 3PY -0.03524 -1.01084 0.01029 0.62362 0.85824 92 3PZ -0.03659 -1.37652 -0.03862 0.43920 0.91864 93 4XX -0.14083 0.20825 -0.13578 0.32770 0.16190 94 4YY -0.15661 -0.06722 0.10492 0.06419 -0.03640 95 4ZZ 0.28964 -0.20340 0.00976 -0.34033 -0.12933 96 4XY 0.02779 -0.01993 0.03285 0.34212 0.02175 97 4XZ -0.10416 -0.02013 -0.02583 0.00215 0.17983 98 4YZ -0.08141 0.06061 -0.05745 -0.30648 -0.22920 99 11 C 1S 0.00534 -0.02239 0.00026 0.01259 0.02770 100 2S 0.29631 -0.28916 -0.03792 0.17013 0.54293 101 2PX 0.06240 0.02101 -0.01853 -0.03326 0.11270 102 2PY -0.06916 -0.02399 0.03768 0.04659 0.05144 103 2PZ 0.07947 -0.02834 0.01445 0.04478 0.11653 104 3S -0.32457 3.02070 -0.05385 -1.28980 -2.44981 105 3PX -0.23293 0.87970 -0.07280 -0.80723 -1.07104 106 3PY 0.03598 -1.01089 -0.01006 0.62379 0.85827 107 3PZ -0.03781 1.37641 -0.03873 -0.43904 -0.91774 108 4XX -0.14052 -0.20796 -0.13607 -0.32786 -0.16316 109 4YY -0.15654 0.06668 0.10498 -0.06418 0.03713 110 4ZZ 0.28923 0.20367 0.01002 0.34045 0.12972 111 4XY -0.02787 -0.01986 -0.03288 0.34213 0.02166 112 4XZ -0.10424 0.02020 -0.02597 -0.00214 -0.17947 113 4YZ 0.08140 0.06051 0.05741 -0.30647 -0.22874 114 12 C 1S -0.00561 0.03001 -0.00757 -0.00580 -0.01774 115 2S -0.15879 0.63346 -0.02557 -0.14967 -0.21028 116 2PX -0.02935 0.06882 0.00078 -0.06022 -0.14263 117 2PY 0.01447 -0.11304 -0.00629 -0.00792 -0.01620 118 2PZ -0.04412 0.04550 -0.00851 -0.01427 -0.14957 119 3S 0.43943 -2.75571 0.11642 1.10620 1.60855 120 3PX 0.19189 0.53753 0.00403 0.18814 0.05142 121 3PY 0.15301 1.82999 -0.18140 -0.50827 -0.87143 122 3PZ -0.23905 -0.43073 -0.01556 -0.01498 0.25076 123 4XX -0.18969 -0.06229 -0.12260 -0.13276 -0.09728 124 4YY 0.33456 0.21251 -0.07659 0.03797 0.09352 125 4ZZ -0.11971 -0.24648 0.19518 0.14499 0.08937 126 4XY -0.27565 -0.29457 0.03564 -0.05690 -0.13912 127 4XZ 0.10735 0.20843 -0.09803 -0.04923 -0.20255 128 4YZ 0.11957 0.14946 0.08356 0.22460 -0.12003 129 13 C 1S -0.00899 -0.04519 -0.00310 0.00477 -0.00361 130 2S -0.01595 -0.23775 -0.13703 0.32463 -0.38937 131 2PX 0.04411 -0.02993 -0.02812 0.03936 -0.02855 132 2PY 0.02307 -0.00239 -0.01280 -0.05413 0.02497 133 2PZ -0.00956 -0.12409 0.05873 -0.04409 0.13809 134 3S 0.07676 2.46531 0.15519 -0.95034 0.09770 135 3PX -0.00287 -0.42905 0.12911 -0.40331 0.46792 136 3PY -0.03148 -0.59300 0.02623 0.00669 -0.10957 137 3PZ -0.13570 -0.41337 -0.03995 0.34839 0.10713 138 4XX 0.18303 0.12501 -0.03173 -0.22133 0.14633 139 4YY -0.02480 0.09672 -0.04747 0.13074 -0.09741 140 4ZZ -0.18507 -0.22749 0.11086 0.00524 0.02687 141 4XY 0.12644 -0.41855 0.00493 0.10469 0.03560 142 4XZ 0.45759 0.18575 -0.21451 -0.01850 -0.21791 143 4YZ -0.10127 0.11229 0.04530 0.03132 -0.12399 144 14 C 1S -0.00905 0.04516 -0.00306 -0.00478 0.00359 145 2S -0.01613 0.23774 -0.13654 -0.32457 0.39010 146 2PX 0.04406 0.02992 -0.02809 -0.03933 0.02853 147 2PY -0.02301 -0.00252 0.01279 -0.05410 0.02522 148 2PZ -0.00970 0.12393 0.05869 0.04408 -0.13819 149 3S 0.07928 -2.46470 0.15342 0.95035 -0.09802 150 3PX -0.00355 0.42873 0.12919 0.40336 -0.46792 151 3PY 0.03222 -0.59313 -0.02682 0.00680 -0.10958 152 3PZ -0.13653 0.41297 -0.03955 -0.34859 -0.10717 153 4XX 0.18305 -0.12507 -0.03192 0.22148 -0.14621 154 4YY -0.02466 -0.09678 -0.04748 -0.13087 0.09688 155 4ZZ -0.18528 0.22752 0.11100 -0.00530 -0.02667 156 4XY -0.12597 -0.41816 -0.00509 0.10458 0.03516 157 4XZ 0.45753 -0.18526 -0.21453 0.01865 0.21791 158 4YZ 0.10119 0.11243 -0.04536 0.03136 -0.12422 159 15 C 1S -0.00558 -0.02999 -0.00758 0.00580 0.01777 160 2S -0.15830 -0.63348 -0.02576 0.14958 0.21057 161 2PX -0.02933 -0.06890 0.00085 0.06020 0.14279 162 2PY -0.01440 -0.11311 0.00622 -0.00793 -0.01614 163 2PZ -0.04412 -0.04558 -0.00837 0.01424 0.14965 164 3S 0.43678 2.75519 0.11682 -1.10610 -1.60987 165 3PX 0.19233 -0.53669 0.00364 -0.18812 -0.05111 166 3PY -0.15455 1.82934 0.18180 -0.50840 -0.87239 167 3PZ -0.23977 0.43083 -0.01536 0.01479 -0.25107 168 4XX -0.18969 0.06236 -0.12254 0.13251 0.09619 169 4YY 0.33469 -0.21198 -0.07674 -0.03792 -0.09341 170 4ZZ -0.11992 0.24588 0.19525 -0.14476 -0.08840 171 4XY 0.27596 -0.29412 -0.03596 -0.05682 -0.13910 172 4XZ 0.10752 -0.20821 -0.09790 0.04923 0.20198 173 4YZ -0.11989 0.14945 -0.08355 0.22442 -0.12093 174 16 H 1S 0.03566 -0.08600 0.01523 0.16547 0.11646 175 2S -0.05419 -0.44751 -0.03300 0.25759 0.33531 176 17 H 1S 0.03568 0.08589 0.01516 -0.16549 -0.11651 177 2S -0.05453 0.44748 -0.03309 -0.25757 -0.33512 178 18 H 1S -0.24473 -0.21692 0.06734 0.00604 -0.01333 179 2S -0.10014 -0.41339 0.06025 0.08679 0.18066 180 19 H 1S -0.26145 -0.06704 0.05952 0.20427 -0.07161 181 2S 0.12490 0.01809 -0.17052 0.13582 -0.21271 182 20 H 1S -0.26128 0.06710 0.05961 -0.20446 0.07134 183 2S 0.12503 -0.01804 -0.17056 -0.13575 0.21299 184 21 H 1S -0.24487 0.21653 0.06746 -0.00611 0.01337 185 2S -0.10048 0.41321 0.06036 -0.08688 -0.18107 186 22 H 1S 0.26834 -0.19080 -0.11772 0.03173 -0.08329 187 2S -0.02705 -0.06616 0.08281 -0.08548 0.11641 188 23 H 1S 0.26812 0.19086 -0.11762 -0.03156 0.08328 189 2S -0.02698 0.06599 0.08274 0.08552 -0.11622 156 157 158 159 160 V V V V V Eigenvalues -- 2.31855 2.37117 2.40151 2.43436 2.44809 1 1 C 1S 0.00618 0.02961 0.01474 0.03472 0.00278 2 2S 0.10978 0.67431 0.06274 0.35750 -0.06134 3 2PX -0.00170 0.02420 -0.06267 0.00325 -0.01800 4 2PY 0.04724 -0.04966 -0.03670 -0.07568 0.00727 5 2PZ -0.00457 0.14794 -0.03062 0.01446 -0.01522 6 3S -0.18172 -2.73308 -0.64367 -1.86878 -0.02275 7 3PX -0.07450 -0.45870 0.12512 0.26811 -0.16545 8 3PY -0.06358 -1.25621 -0.13848 -0.59218 -0.04484 9 3PZ -0.14640 -1.20186 -0.05217 -0.40874 0.02807 10 4XX 0.09677 -0.22697 -0.02311 0.08752 -0.28026 11 4YY -0.05348 -0.02314 -0.04600 -0.07933 0.03292 12 4ZZ -0.04833 0.14143 0.06386 -0.03195 0.26979 13 4XY -0.01202 -0.07972 -0.09015 -0.17191 0.04689 14 4XZ -0.07007 -0.02422 0.06038 0.10253 0.01965 15 4YZ 0.05567 0.06462 0.06175 0.15496 0.00580 16 2 O 1S -0.00063 -0.01630 -0.00068 0.01017 -0.01356 17 2S -0.09042 -0.07090 -0.09540 -0.11028 -0.05400 18 2PX -0.00599 -0.05279 0.02080 0.05449 -0.04947 19 2PY -0.02239 0.02579 -0.02712 -0.03272 -0.00415 20 2PZ -0.01230 -0.02570 0.02204 -0.01991 0.03763 21 3S 0.17722 0.84534 0.19586 0.22110 0.34019 22 3PX -0.06541 -0.13219 -0.06450 -0.21249 0.13737 23 3PY 0.04535 0.16214 0.07936 0.05639 0.15562 24 3PZ -0.04364 -0.05409 -0.06381 0.05578 -0.23226 25 4XX 0.15048 -0.03315 0.03750 0.22031 -0.18454 26 4YY 0.01124 -0.01451 0.00469 -0.03530 0.04273 27 4ZZ -0.17898 -0.02771 -0.06719 -0.15270 0.07270 28 4XY 0.08746 0.09228 0.03302 0.02680 0.24406 29 4XZ -0.02498 -0.17210 0.04475 -0.16068 0.10047 30 4YZ -0.04787 -0.10955 -0.07838 -0.03263 -0.35406 31 3 C 1S -0.00230 0.00000 0.00000 -0.00001 0.00405 32 2S -0.17437 0.00003 0.00010 0.00031 -0.01206 33 2PX 0.05154 0.00001 -0.00003 -0.00013 0.03022 34 2PY -0.00002 0.00368 0.01965 -0.01621 -0.00003 35 2PZ 0.02230 0.00002 0.00000 -0.00006 -0.00129 36 3S 0.19978 -0.00019 -0.00016 -0.00012 -0.14556 37 3PX -0.24730 0.00007 0.00016 0.00030 0.04778 38 3PY 0.00001 0.03443 -0.01721 -0.10846 -0.00011 39 3PZ 0.02390 -0.00001 -0.00005 -0.00014 0.23892 40 4XX 0.14744 0.00004 -0.00008 0.00027 0.64476 41 4YY 0.08183 0.00001 -0.00002 -0.00004 0.01968 42 4ZZ -0.19893 -0.00006 0.00007 -0.00034 -0.64592 43 4XY 0.00030 0.06844 0.09079 0.15301 0.00016 44 4XZ 0.06419 -0.00003 -0.00001 0.00006 -0.10428 45 4YZ -0.00021 -0.12405 -0.08204 -0.03669 0.00004 46 4 C 1S 0.00629 -0.02962 -0.01475 -0.03476 0.00272 47 2S 0.11229 -0.67443 -0.06286 -0.35718 -0.06199 48 2PX -0.00134 -0.02422 0.06266 -0.00341 -0.01800 49 2PY -0.04707 -0.04966 -0.03669 -0.07571 -0.00738 50 2PZ -0.00391 -0.14796 0.03061 -0.01438 -0.01526 51 3S -0.19238 2.73340 0.64399 1.86907 -0.01962 52 3PX -0.07739 0.45859 -0.12510 -0.26805 -0.16596 53 3PY 0.06855 -1.25633 -0.13848 -0.59222 0.04385 54 3PZ -0.15216 1.20168 0.05224 0.40864 0.02879 55 4XX 0.09632 0.22696 0.02320 -0.08747 -0.28049 56 4YY -0.05354 0.02310 0.04598 0.07912 0.03304 57 4ZZ -0.04815 -0.14137 -0.06393 0.03187 0.26993 58 4XY 0.01205 -0.07975 -0.09015 -0.17190 -0.04718 59 4XZ -0.07052 0.02413 -0.06042 -0.10256 0.01948 60 4YZ -0.05589 0.06470 0.06180 0.15490 -0.00559 61 5 H 1S 0.07232 0.00003 -0.00002 0.00022 0.33261 62 2S -0.08990 0.00007 0.00008 0.00004 -0.28906 63 6 H 1S -0.02664 -0.00003 0.00002 -0.00019 -0.34735 64 2S 0.11132 0.00000 -0.00007 -0.00008 0.17196 65 7 O 1S -0.00069 0.01629 0.00067 -0.01017 -0.01358 66 2S -0.09082 0.07086 0.09544 0.11044 -0.05387 67 2PX -0.00614 0.05278 -0.02078 -0.05448 -0.04955 68 2PY 0.02223 0.02578 -0.02713 -0.03279 0.00410 69 2PZ -0.01259 0.02569 -0.02206 0.01994 0.03765 70 3S 0.18125 -0.84520 -0.19590 -0.22135 0.33990 71 3PX -0.06654 0.13225 0.06451 0.21247 0.13772 72 3PY -0.04591 0.16203 0.07935 0.05660 -0.15552 73 3PZ -0.04352 0.05416 0.06395 -0.05578 -0.23238 74 4XX 0.15025 0.03308 -0.03750 -0.22017 -0.18500 75 4YY 0.01097 0.01458 -0.00469 0.03516 0.04268 76 4ZZ -0.17873 0.02767 0.06717 0.15270 0.07317 77 4XY -0.08728 0.09224 0.03312 0.02666 -0.24404 78 4XZ -0.02602 0.17216 -0.04475 0.16065 0.10070 79 4YZ 0.04760 -0.10951 -0.07851 -0.03242 0.35402 80 8 H 1S -0.01202 0.15675 -0.01288 -0.00698 -0.11079 81 2S -0.03702 0.40359 -0.02580 0.00610 0.03433 82 9 H 1S -0.01128 -0.15674 0.01291 0.00701 -0.11074 83 2S -0.03516 -0.40366 0.02577 -0.00621 0.03428 84 10 C 1S 0.01653 0.00557 0.00277 -0.03289 0.01157 85 2S 0.20281 0.04842 0.02187 -0.20621 0.07404 86 2PX 0.04260 -0.07419 0.03285 -0.12590 0.00399 87 2PY 0.14733 0.04618 -0.07465 0.16100 -0.02579 88 2PZ -0.05295 -0.04207 0.00967 -0.08313 0.00884 89 3S -0.48185 -1.15340 -0.53296 -0.60378 -0.43473 90 3PX -0.10729 -0.29325 -0.32162 -0.39581 -0.15653 91 3PY -0.08454 -0.70950 -0.16970 0.16537 0.10243 92 3PZ -0.24338 -0.28096 -0.36030 -0.42417 -0.11033 93 4XX 0.43987 -0.02164 -0.22372 -0.14415 -0.08019 94 4YY -0.22127 -0.03266 -0.03912 0.25306 0.08839 95 4ZZ -0.16266 -0.01996 0.27726 -0.13165 -0.01214 96 4XY -0.06879 -0.17700 0.44810 -0.15904 -0.02556 97 4XZ -0.12267 0.08335 0.11321 0.29312 -0.14900 98 4YZ 0.15305 -0.04233 -0.19939 0.12995 -0.07022 99 11 C 1S 0.01662 -0.00558 -0.00279 0.03279 0.01162 100 2S 0.20462 -0.04849 -0.02197 0.20603 0.07430 101 2PX 0.04279 0.07419 -0.03292 0.12602 0.00415 102 2PY -0.14724 0.04617 -0.07462 0.16077 0.02602 103 2PZ -0.05264 0.04205 -0.00969 0.08321 0.00894 104 3S -0.49180 1.15373 0.53332 0.60743 -0.43386 105 3PX -0.11133 0.29326 0.32166 0.39706 -0.15584 106 3PY 0.08817 -0.70957 -0.16978 0.16632 -0.10214 107 3PZ -0.24712 0.28096 0.36035 0.42507 -0.10956 108 4XX 0.43946 0.02163 0.22368 0.14462 -0.07983 109 4YY -0.22116 0.03271 0.03909 -0.25381 0.08796 110 4ZZ -0.16248 0.01990 -0.27725 0.13190 -0.01201 111 4XY 0.06918 -0.17701 0.44795 -0.15925 0.02555 112 4XZ -0.12315 -0.08331 -0.11305 -0.29166 -0.14950 113 4YZ -0.15399 -0.04238 -0.19937 0.12945 0.07035 114 12 C 1S -0.01288 0.00981 -0.01344 0.05976 -0.02215 115 2S -0.11768 0.49848 0.39360 1.20395 -0.07060 116 2PX -0.04389 0.06015 0.08591 -0.02549 0.00556 117 2PY 0.03144 -0.14165 -0.11429 -0.20213 -0.03034 118 2PZ -0.01838 0.05725 0.20362 -0.13386 0.04874 119 3S 0.57465 -0.59704 -0.55235 -3.64934 0.75088 120 3PX -0.12471 -0.09680 -0.11134 -0.00951 -0.11031 121 3PY -0.33550 0.76950 0.42865 1.91389 -0.19316 122 3PZ 0.10604 0.00662 0.15127 -0.47528 0.09137 123 4XX 0.39071 -0.17609 0.12077 -0.05089 -0.25159 124 4YY -0.00074 0.20289 -0.14000 -0.05778 0.21196 125 4ZZ -0.38168 -0.08516 -0.12885 -0.08235 0.04053 126 4XY 0.03359 -0.06816 0.11106 0.02358 0.08600 127 4XZ 0.19078 0.00704 0.08913 -0.23938 0.05725 128 4YZ -0.31900 -0.21511 -0.07673 0.14092 -0.09940 129 13 C 1S 0.00910 0.03634 0.01018 -0.08731 0.01626 130 2S -0.14288 0.30683 0.04525 -0.54301 0.09231 131 2PX 0.00441 0.07038 -0.01125 0.00255 0.01844 132 2PY 0.05596 0.08808 0.06828 -0.06162 -0.01352 133 2PZ 0.02290 -0.08782 -0.01362 -0.13766 0.05351 134 3S -0.08395 -0.74552 -0.00253 4.01472 -0.50037 135 3PX -0.06682 -0.12561 0.19950 -0.77286 0.05911 136 3PY -0.01921 0.46706 -0.08526 -0.99640 -0.07754 137 3PZ 0.13328 0.51249 0.12027 -1.13620 0.18619 138 4XX 0.00224 0.41689 0.31060 -0.37370 0.08980 139 4YY 0.18348 -0.17463 -0.12093 0.21757 0.05248 140 4ZZ -0.13445 -0.23386 -0.15789 0.14987 -0.13854 141 4XY -0.13949 0.32188 0.11041 0.11684 0.03283 142 4XZ 0.02797 0.05783 -0.08455 -0.01588 -0.14656 143 4YZ -0.06204 -0.28811 0.41439 0.14867 0.03431 144 14 C 1S 0.00906 -0.03635 -0.01019 0.08719 0.01638 145 2S -0.14207 -0.30692 -0.04538 0.54218 0.09309 146 2PX 0.00445 -0.07043 0.01123 -0.00275 0.01847 147 2PY -0.05585 0.08807 0.06827 -0.06185 0.01343 148 2PZ 0.02238 0.08785 0.01362 0.13731 0.05370 149 3S -0.08138 0.74594 0.00300 -4.01105 -0.50623 150 3PX -0.06833 0.12547 -0.19945 0.77294 0.06020 151 3PY 0.01945 0.46710 -0.08528 -0.99698 0.07599 152 3PZ 0.13222 -0.51255 -0.12060 1.13349 0.18775 153 4XX 0.00174 -0.41712 -0.31075 0.37292 0.09019 154 4YY 0.18393 0.17477 0.12070 -0.21802 0.05220 155 4ZZ -0.13464 0.23395 0.15829 -0.14862 -0.13864 156 4XY 0.14007 0.32199 0.11029 0.11690 -0.03271 157 4XZ 0.02892 -0.05778 0.08470 0.01722 -0.14654 158 4YZ 0.06177 -0.28819 0.41436 0.14917 -0.03390 159 15 C 1S -0.01278 -0.00979 0.01347 -0.05950 -0.02223 160 2S -0.11643 -0.49824 -0.39332 -1.20328 -0.07247 161 2PX -0.04345 -0.06018 -0.08597 0.02544 0.00562 162 2PY -0.03138 -0.14163 -0.11422 -0.20253 0.03000 163 2PZ -0.01803 -0.05729 -0.20372 0.13343 0.04888 164 3S 0.56698 0.59611 0.55129 3.64178 0.75629 165 3PX -0.12449 0.09680 0.11125 0.01047 -0.11022 166 3PY 0.33106 0.76934 0.42852 1.91205 0.19606 167 3PZ 0.10488 -0.00650 -0.15129 0.47504 0.09202 168 4XX 0.39094 0.17612 -0.12079 0.05280 -0.25158 169 4YY -0.00085 -0.20289 0.13970 0.05605 0.21204 170 4ZZ -0.38208 0.08511 0.12916 0.08233 0.04079 171 4XY -0.03386 -0.06830 0.11108 0.02446 -0.08581 172 4XZ 0.19139 -0.00710 -0.08932 0.23871 0.05753 173 4YZ 0.31865 -0.21514 -0.07697 0.13996 0.09959 174 16 H 1S 0.02382 -0.00515 -0.18329 -0.13616 0.11048 175 2S -0.04840 -0.19336 -0.09155 -0.02025 -0.03315 176 17 H 1S 0.02339 0.00509 0.18315 0.13518 0.11076 177 2S -0.04979 0.19340 0.09156 0.02048 -0.03306 178 18 H 1S -0.02981 -0.21462 0.02778 -0.01625 -0.15603 179 2S 0.11565 -0.17117 -0.11874 -0.36958 0.05426 180 19 H 1S 0.09805 -0.23928 -0.21532 -0.05902 -0.02842 181 2S -0.04198 0.08093 0.02158 0.20924 0.13084 182 20 H 1S 0.09821 0.23952 0.21529 0.05885 -0.02833 183 2S -0.04144 -0.08108 -0.02159 -0.20929 0.13063 184 21 H 1S -0.03001 0.21474 -0.02752 0.01773 -0.15598 185 2S 0.11473 0.17120 0.11874 0.36912 0.05483 186 22 H 1S -0.00854 0.12701 -0.10412 -0.23166 -0.01653 187 2S -0.08630 -0.28068 0.06006 -0.08807 0.01992 188 23 H 1S -0.00833 -0.12722 0.10416 0.23222 -0.01609 189 2S -0.08664 0.28074 -0.05999 0.08828 0.01998 161 162 163 164 165 V V V V V Eigenvalues -- 2.45144 2.48408 2.52225 2.54538 2.59890 1 1 C 1S 0.00846 -0.01127 -0.00394 -0.01699 0.03374 2 2S -0.12479 0.51022 -0.11103 -0.54573 0.01601 3 2PX 0.03148 0.09576 -0.00970 -0.06935 -0.22955 4 2PY -0.02425 0.16255 0.01933 -0.01109 0.15526 5 2PZ -0.03394 0.09474 -0.07567 -0.10303 -0.09649 6 3S -0.05200 -0.01779 0.83483 1.62287 -0.72257 7 3PX 0.02453 0.66294 0.75477 -0.05469 -0.40351 8 3PY 0.07869 0.40196 0.73913 0.67744 -0.21202 9 3PZ 0.01247 -0.27174 0.74644 0.52713 -0.53843 10 4XX 0.10298 0.29380 -0.01529 0.30039 -0.09027 11 4YY 0.04507 0.23431 0.00379 -0.03090 0.09030 12 4ZZ -0.07609 -0.62806 0.04117 -0.17380 0.03603 13 4XY -0.03146 0.29753 0.31645 -0.32416 -0.04151 14 4XZ -0.03630 -0.02307 0.13624 -0.14556 -0.39516 15 4YZ -0.02658 -0.11504 -0.23720 0.26318 0.00611 16 2 O 1S 0.00142 0.00300 0.02142 0.00521 -0.06144 17 2S -0.08115 0.21704 0.01876 -0.11433 -0.92391 18 2PX 0.02068 0.00672 0.06426 0.05075 -0.01495 19 2PY -0.01423 0.08676 -0.00863 -0.02705 -0.08656 20 2PZ -0.02212 -0.05664 -0.02612 0.01072 -0.02237 21 3S 0.11537 -0.43928 -0.63093 -0.06644 3.05737 22 3PX -0.05134 -0.10935 -0.04513 -0.01800 -0.25908 23 3PY 0.05139 -0.32743 -0.19732 0.05706 1.28065 24 3PZ 0.09543 0.24640 0.10311 0.03737 -0.01287 25 4XX 0.02519 0.38474 -0.11908 0.26091 -0.22170 26 4YY 0.04340 -0.12834 -0.07773 0.08036 0.37412 27 4ZZ -0.06042 -0.21911 0.31349 -0.30745 -0.42546 28 4XY -0.11133 0.02711 -0.05743 -0.04563 -0.09106 29 4XZ -0.00802 -0.23580 0.06012 0.03260 0.31720 30 4YZ 0.20523 0.24650 0.16007 -0.04144 0.09804 31 3 C 1S 0.01004 -0.00001 0.00001 -0.00001 0.07428 32 2S -0.17438 0.00003 -0.00001 0.00014 -0.43897 33 2PX 0.08382 -0.00003 0.00005 -0.00007 0.37890 34 2PY -0.00005 -0.08065 -0.00675 0.02808 -0.00005 35 2PZ 0.05889 -0.00003 0.00007 -0.00005 0.41717 36 3S -0.06264 0.00009 -0.00049 0.00012 -2.14700 37 3PX -0.11052 -0.00002 0.00023 0.00004 0.79016 38 3PY -0.00022 -0.05022 -0.12134 0.02706 -0.00002 39 3PZ 0.03605 -0.00009 0.00014 -0.00005 0.57050 40 4XX -0.36912 -0.00002 0.00011 0.00009 0.10364 41 4YY 0.01285 0.00001 -0.00008 0.00000 0.02703 42 4ZZ 0.41658 0.00000 -0.00002 -0.00014 0.04161 43 4XY 0.00033 0.03659 -0.16066 0.09173 0.00007 44 4XZ -0.04249 0.00005 -0.00016 0.00006 -0.56707 45 4YZ -0.00015 0.00437 0.31427 -0.17747 -0.00007 46 4 C 1S 0.00834 0.01126 0.00394 0.01697 0.03375 47 2S -0.12608 -0.51016 0.11075 0.54572 0.01613 48 2PX 0.03148 -0.09575 0.00961 0.06935 -0.22956 49 2PY 0.02401 0.16255 0.01933 -0.01110 -0.15522 50 2PZ -0.03397 -0.09468 0.07560 0.10305 -0.09654 51 3S -0.04561 0.01797 -0.83475 -1.62261 -0.72289 52 3PX 0.02310 -0.66294 -0.75490 0.05481 -0.40313 53 3PY -0.08053 0.40202 0.73922 0.67757 0.21214 54 3PZ 0.01367 0.27180 -0.74619 -0.52682 -0.53818 55 4XX 0.10244 -0.29374 0.01519 -0.30047 -0.09032 56 4YY 0.04532 -0.23433 -0.00364 0.03078 0.09026 57 4ZZ -0.07572 0.62798 -0.04115 0.17397 0.03610 58 4XY 0.03072 0.29751 0.31648 -0.32423 0.04145 59 4XZ -0.03668 0.02314 -0.13630 0.14558 -0.39509 60 4YZ 0.02733 -0.11529 -0.23717 0.26315 -0.00600 61 5 H 1S -0.23307 0.00000 0.00007 0.00007 0.09795 62 2S 0.09434 0.00004 -0.00001 -0.00003 0.06374 63 6 H 1S 0.21984 0.00001 -0.00006 -0.00006 -0.01726 64 2S -0.01287 -0.00002 0.00001 -0.00003 0.04486 65 7 O 1S 0.00137 -0.00299 -0.02145 -0.00521 -0.06144 66 2S -0.08073 -0.21696 -0.01903 0.11454 -0.92389 67 2PX 0.02042 -0.00671 -0.06427 -0.05075 -0.01494 68 2PY 0.01412 0.08674 -0.00863 -0.02708 0.08657 69 2PZ -0.02202 0.05664 0.02613 -0.01070 -0.02237 70 3S 0.11487 0.43897 0.63196 0.06588 3.05714 71 3PX -0.05048 0.10934 0.04515 0.01809 -0.25909 72 3PY -0.05130 -0.32728 -0.19771 0.05730 -1.28059 73 3PZ 0.09505 -0.24641 -0.10319 -0.03738 -0.01309 74 4XX 0.02408 -0.38467 0.11893 -0.26092 -0.22176 75 4YY 0.04363 0.12822 0.07776 -0.08047 0.37413 76 4ZZ -0.05972 0.21922 -0.31354 0.30757 -0.42536 77 4XY 0.11144 0.02707 -0.05748 -0.04569 0.09099 78 4XZ -0.00728 0.23575 -0.05997 -0.03263 0.31722 79 4YZ -0.20528 0.24648 0.16021 -0.04141 -0.09788 80 8 H 1S 0.05351 -0.23431 -0.20467 -0.01256 0.01944 81 2S 0.02908 -0.00316 -0.36669 -0.13974 -0.19920 82 9 H 1S 0.05362 0.23425 0.20467 0.01253 0.01937 83 2S 0.02920 0.00312 0.36674 0.13976 -0.19933 84 10 C 1S 0.02257 0.00317 -0.00735 0.00396 0.00824 85 2S 0.09573 -0.06935 -0.30701 0.10865 0.07346 86 2PX -0.01366 -0.02448 -0.06990 0.07491 -0.03989 87 2PY -0.00915 0.00226 0.00299 -0.03051 0.07357 88 2PZ -0.00593 -0.00906 -0.05348 0.03730 -0.03024 89 3S -0.80056 -0.16788 0.41275 0.71881 -0.26863 90 3PX -0.29737 -0.11879 0.28544 0.31762 -0.12934 91 3PY 0.16661 0.05134 0.02279 -0.10362 -0.01912 92 3PZ -0.25976 -0.17656 0.13640 0.37584 -0.06749 93 4XX -0.06667 0.00702 0.09890 0.04653 -0.02789 94 4YY 0.12664 -0.01318 -0.00120 -0.04096 -0.06587 95 4ZZ -0.05658 0.02220 -0.01882 -0.00886 0.08426 96 4XY -0.02837 0.08755 0.08443 0.05401 0.08151 97 4XZ -0.31930 -0.02694 0.11493 -0.08567 -0.00765 98 4YZ -0.07882 -0.10158 -0.01049 0.01102 0.03906 99 11 C 1S 0.02271 -0.00318 0.00735 -0.00399 0.00818 100 2S 0.09654 0.06926 0.30709 -0.10884 0.07319 101 2PX -0.01323 0.02445 0.06995 -0.07487 -0.03991 102 2PY 0.00978 0.00225 0.00298 -0.03040 -0.07371 103 2PZ -0.00564 0.00904 0.05349 -0.03730 -0.03026 104 3S -0.79874 0.16817 -0.41277 -0.71819 -0.26688 105 3PX -0.29606 0.11891 -0.28544 -0.31733 -0.12888 106 3PY -0.16592 0.05130 0.02286 -0.10354 0.01861 107 3PZ -0.25820 0.17670 -0.13639 -0.37553 -0.06708 108 4XX -0.06609 -0.00704 -0.09882 -0.04648 -0.02811 109 4YY 0.12558 0.01316 0.00116 0.04095 -0.06553 110 4ZZ -0.05603 -0.02216 0.01876 0.00883 0.08417 111 4XY 0.02806 0.08748 0.08448 0.05409 -0.08157 112 4XZ -0.32049 0.02703 -0.11486 0.08590 -0.00730 113 4YZ 0.07935 -0.10162 -0.01050 0.01102 -0.03907 114 12 C 1S -0.05661 0.01409 0.02280 -0.01258 -0.00751 115 2S -0.14953 0.27703 0.29635 -0.67646 -0.02007 116 2PX -0.01068 0.03312 -0.00382 0.00823 -0.03726 117 2PY -0.07982 -0.03914 -0.06420 0.15930 -0.00589 118 2PZ 0.07184 0.04800 -0.08621 -0.03368 -0.02227 119 3S 1.67862 -0.51957 -0.92674 1.33099 0.15570 120 3PX -0.09766 -0.08488 -0.32154 -0.36685 -0.06644 121 3PY -0.42404 0.12744 0.48835 -0.98424 -0.15585 122 3PZ 0.16837 0.24173 -0.24972 -0.14902 -0.07553 123 4XX -0.37538 -0.05325 0.01643 0.11738 0.03210 124 4YY 0.36596 0.02810 -0.03792 -0.00362 -0.18681 125 4ZZ -0.02334 -0.01891 0.00722 0.07036 0.15737 126 4XY 0.17746 -0.01734 -0.06977 -0.04219 -0.02854 127 4XZ 0.17462 0.02672 -0.10190 0.03889 0.09888 128 4YZ -0.21314 -0.08779 0.12822 0.10920 0.05443 129 13 C 1S 0.02624 0.01997 -0.05257 -0.00485 0.00357 130 2S 0.16633 0.23772 -0.42387 -0.09536 -0.24064 131 2PX 0.05138 0.01960 -0.03154 -0.04957 -0.03304 132 2PY -0.04582 0.03117 -0.05658 -0.04511 0.03159 133 2PZ 0.06971 -0.02882 0.01268 0.09530 0.10861 134 3S -0.77828 -0.74696 2.12699 -0.32306 0.06753 135 3PX 0.02682 -0.09964 0.48348 0.90828 0.19669 136 3PY -0.07209 0.27895 -0.64345 0.11160 -0.08491 137 3PZ 0.54228 0.24604 -0.90343 -0.32909 -0.21672 138 4XX 0.16139 0.09302 -0.01386 0.04838 0.08435 139 4YY 0.09047 -0.09082 0.18749 0.10954 0.01260 140 4ZZ -0.25575 -0.03803 -0.15171 -0.14373 -0.00201 141 4XY -0.03619 0.02021 0.32900 0.16400 0.06081 142 4XZ -0.31642 -0.09018 0.41001 0.42678 0.02382 143 4YZ 0.10914 -0.03786 0.06760 -0.10370 0.03731 144 14 C 1S 0.02660 -0.01998 0.05255 0.00482 0.00353 145 2S 0.16859 -0.23781 0.42386 0.09534 -0.24087 146 2PX 0.05141 -0.01962 0.03151 0.04952 -0.03301 147 2PY 0.04554 0.03116 -0.05659 -0.04513 -0.03160 148 2PZ 0.07019 0.02881 -0.01273 -0.09545 0.10859 149 3S -0.79446 0.74736 -2.12667 0.32388 0.06886 150 3PX 0.02958 0.09962 -0.48325 -0.90831 0.19638 151 3PY 0.06782 0.27897 -0.64380 0.11127 0.08541 152 3PZ 0.54720 -0.24624 0.90325 0.32892 -0.21722 153 4XX 0.16254 -0.09302 0.01354 -0.04879 0.08430 154 4YY 0.08959 0.09076 -0.18749 -0.10954 0.01270 155 4ZZ -0.25601 0.03809 0.15201 0.14408 -0.00205 156 4XY 0.03686 0.02015 0.32911 0.16404 -0.06089 157 4XZ -0.31685 0.09032 -0.40984 -0.42644 0.02382 158 4YZ -0.10845 -0.03782 0.06742 -0.10376 -0.03727 159 15 C 1S -0.05684 -0.01407 -0.02279 0.01262 -0.00751 160 2S -0.15412 -0.27696 -0.29621 0.67667 -0.01972 161 2PX -0.01055 -0.03317 0.00383 -0.00812 -0.03737 162 2PY 0.07904 -0.03913 -0.06424 0.15923 0.00602 163 2PZ 0.07238 -0.04805 0.08620 0.03370 -0.02239 164 3S 1.69259 0.51889 0.92621 -1.33250 0.15550 165 3PX -0.09726 0.08491 0.32151 0.36667 -0.06667 166 3PY 0.43134 0.12725 0.48824 -0.98470 0.15553 167 3PZ 0.17049 -0.24178 0.24964 0.14847 -0.07578 168 4XX -0.37526 0.05334 -0.01630 -0.11711 0.03212 169 4YY 0.36615 -0.02822 0.03784 0.00346 -0.18672 170 4ZZ -0.02287 0.01895 -0.00732 -0.07051 0.15715 171 4XY -0.17726 -0.01729 -0.06974 -0.04208 0.02836 172 4XZ 0.17542 -0.02674 0.10180 -0.03915 0.09893 173 4YZ 0.21387 -0.08795 0.12821 0.10910 -0.05459 174 16 H 1S 0.19008 0.00535 -0.05269 0.03153 -0.03702 175 2S -0.08715 -0.06928 0.08891 0.07054 -0.00652 176 17 H 1S 0.19069 -0.00542 0.05267 -0.03158 -0.03717 177 2S -0.08709 0.06934 -0.08890 -0.07042 -0.00632 178 18 H 1S -0.32046 0.03206 0.05155 0.09871 0.11057 179 2S 0.12233 -0.03064 -0.11491 0.25479 0.02793 180 19 H 1S 0.07901 0.01586 -0.46440 -0.31691 -0.11700 181 2S -0.05408 0.09438 0.07211 -0.10224 0.06651 182 20 H 1S 0.07956 -0.01589 0.46439 0.31684 -0.11708 183 2S -0.05500 -0.09445 -0.07213 0.10226 0.06673 184 21 H 1S -0.32041 -0.03193 -0.05147 -0.09855 0.11048 185 2S 0.12374 0.03054 0.11493 -0.25486 0.02781 186 22 H 1S -0.13354 -0.02073 0.28836 0.42943 0.03840 187 2S -0.06043 -0.07878 0.13395 0.20614 0.15176 188 23 H 1S -0.13289 0.02075 -0.28836 -0.42936 0.03837 189 2S -0.06026 0.07883 -0.13395 -0.20618 0.15174 166 167 168 169 170 V V V V V Eigenvalues -- 2.62740 2.64518 2.67569 2.69296 2.69442 1 1 C 1S -0.00063 -0.03921 -0.02974 0.03028 0.00168 2 2S -0.05834 -0.17736 -0.08305 0.10955 0.00202 3 2PX 0.10504 -0.08491 -0.01828 0.00627 -0.00620 4 2PY -0.02339 0.24135 0.18957 -0.23517 0.00083 5 2PZ 0.02045 -0.06662 -0.03224 0.03734 -0.02254 6 3S 0.22455 1.67145 1.23724 -1.21755 -0.07054 7 3PX 0.08618 0.03250 0.12163 0.01666 -0.00566 8 3PY -0.04070 0.89117 0.76103 -0.74864 0.05666 9 3PZ 0.09818 0.46065 0.27570 -0.09583 0.02038 10 4XX 0.01287 -0.21786 -0.22585 0.23830 -0.01155 11 4YY -0.00212 0.43716 0.37424 -0.48161 0.00935 12 4ZZ 0.05124 -0.17943 -0.11278 0.16595 -0.00991 13 4XY 0.01039 0.10109 0.03288 0.02067 0.02986 14 4XZ 0.14136 -0.13145 0.01461 -0.02465 0.00846 15 4YZ 0.00162 0.05114 0.13372 -0.15475 0.02755 16 2 O 1S 0.01855 -0.02778 -0.01417 0.01326 0.00091 17 2S 0.21358 -0.11759 -0.06514 0.19147 0.09971 18 2PX 0.00914 -0.04495 -0.02455 0.00799 -0.01146 19 2PY 0.01350 0.02120 0.01435 -0.01861 0.00605 20 2PZ -0.00168 -0.01136 -0.01156 0.01810 0.00416 21 3S -0.78573 0.39871 0.19288 -0.51199 -0.27333 22 3PX 0.09433 0.18563 0.13893 -0.10544 -0.02368 23 3PY -0.29195 0.22080 0.11348 -0.21922 -0.14924 24 3PZ 0.03305 0.07106 0.08064 -0.13634 -0.08395 25 4XX 0.04065 -0.11744 -0.07679 0.05995 0.04796 26 4YY -0.06713 0.13542 0.09221 -0.16139 -0.09854 27 4ZZ 0.11394 -0.10248 -0.04301 0.08575 0.04263 28 4XY 0.05756 0.05736 0.08106 -0.10494 -0.03368 29 4XZ -0.08961 0.21067 0.10417 -0.09118 0.02089 30 4YZ -0.01690 0.08582 0.06949 -0.10039 -0.03953 31 3 C 1S -0.01677 0.00001 -0.00001 -0.00007 -0.01206 32 2S 0.00898 -0.00006 -0.00003 -0.00019 -0.01435 33 2PX -0.06134 0.00006 -0.00004 -0.00017 -0.03734 34 2PY 0.00000 0.25155 0.17476 -0.26571 0.00144 35 2PZ -0.08976 0.00011 -0.00005 -0.00038 -0.06564 36 3S 0.59973 -0.00042 0.00049 0.00237 0.41519 37 3PX -0.27699 0.00020 -0.00028 -0.00144 -0.24205 38 3PY -0.00002 0.35150 0.23152 -0.32585 0.00177 39 3PZ -0.12400 0.00014 -0.00003 -0.00028 -0.04759 40 4XX 0.00332 0.00001 -0.00003 -0.00015 -0.02296 41 4YY -0.01662 0.00009 0.00007 0.00004 0.00874 42 4ZZ 0.00412 -0.00007 -0.00001 0.00030 0.03942 43 4XY 0.00000 -0.26241 -0.17506 0.26196 -0.00143 44 4XZ 0.14432 -0.00014 0.00008 0.00054 0.09201 45 4YZ 0.00003 -0.26602 -0.18251 0.26982 -0.00147 46 4 C 1S -0.00064 0.03922 0.02974 -0.03024 0.00203 47 2S -0.05820 0.17747 0.08307 -0.10931 0.00339 48 2PX 0.10511 0.08481 0.01836 -0.00639 -0.00620 49 2PY 0.02332 0.24125 0.18959 -0.23523 0.00175 50 2PZ 0.02051 0.06666 0.03229 -0.03764 -0.02215 51 3S 0.22437 -1.67175 -1.23714 1.21628 -0.08494 52 3PX 0.08605 -0.03269 -0.12158 -0.01687 -0.00552 53 3PY 0.04078 0.89144 0.76111 -0.74915 -0.04812 54 3PZ 0.09785 -0.46078 -0.27546 0.09558 0.01911 55 4XX 0.01273 0.21782 0.22585 -0.23842 -0.00904 56 4YY -0.00197 -0.43718 -0.37429 0.48172 0.00406 57 4ZZ 0.05119 0.17941 0.11283 -0.16617 -0.00802 58 4XY -0.01043 0.10107 0.03284 0.02034 -0.03021 59 4XZ 0.14141 0.13129 -0.01450 0.02464 0.00811 60 4YZ -0.00167 0.05099 0.13357 -0.15494 -0.02582 61 5 H 1S -0.03132 0.00004 -0.00005 -0.00035 -0.05777 62 2S -0.06397 0.00001 -0.00006 -0.00020 -0.03434 63 6 H 1S -0.00072 -0.00001 0.00003 0.00015 0.02312 64 2S 0.02563 -0.00002 0.00004 0.00027 0.04223 65 7 O 1S 0.01854 0.02775 0.01418 -0.01325 0.00104 66 2S 0.21363 0.11721 0.06543 -0.19048 0.10177 67 2PX 0.00910 0.04493 0.02453 -0.00813 -0.01141 68 2PY -0.01352 0.02125 0.01435 -0.01865 -0.00584 69 2PZ -0.00169 0.01135 0.01157 -0.01806 0.00437 70 3S -0.78558 -0.39744 -0.19382 0.50937 -0.27850 71 3PX 0.09438 -0.18578 -0.13887 0.10502 -0.02486 72 3PY 0.29193 0.22025 0.11385 -0.21774 0.15150 73 3PZ 0.03314 -0.07103 -0.08070 0.13526 -0.08554 74 4XX 0.04061 0.11734 0.07686 -0.05938 0.04852 75 4YY -0.06712 -0.13526 -0.09236 0.16036 -0.10036 76 4ZZ 0.11394 0.10231 0.04312 -0.08539 0.04358 77 4XY -0.05760 0.05749 0.08110 -0.10449 0.03484 78 4XZ -0.08967 -0.21057 -0.10423 0.09143 0.02004 79 4YZ 0.01685 0.08575 0.06952 -0.09987 0.04059 80 8 H 1S -0.05743 -0.00430 0.07115 -0.11220 -0.00877 81 2S 0.02610 -0.19615 -0.19766 0.15511 0.06618 82 9 H 1S -0.05733 0.00430 -0.07121 0.11209 -0.01003 83 2S 0.02618 0.19600 0.19775 -0.15444 0.06790 84 10 C 1S 0.03648 -0.09126 0.00238 -0.05542 -0.02249 85 2S -0.07599 -0.29577 0.03107 -0.06220 0.08170 86 2PX -0.27689 0.11501 0.01125 0.02944 0.16185 87 2PY 0.27542 0.18508 -0.12223 0.22586 -0.03502 88 2PZ -0.20684 0.07069 0.02524 0.04591 0.16243 89 3S -0.95958 4.83485 -0.18212 2.09056 0.93672 90 3PX -0.41304 1.32218 0.09889 0.44922 0.33359 91 3PY 0.05302 1.45786 -0.45533 0.74301 -0.40974 92 3PZ -0.39057 1.40752 0.32144 0.36705 0.28424 93 4XX -0.07537 -0.19361 -0.09682 -0.37138 0.13324 94 4YY -0.08977 0.44849 -0.24087 0.44372 -0.21202 95 4ZZ 0.16405 -0.23929 0.26504 -0.09697 0.19728 96 4XY 0.31772 0.10292 -0.11045 0.11527 -0.10520 97 4XZ -0.24088 0.46380 0.11152 0.17685 0.39415 98 4YZ 0.24386 0.23603 -0.32457 -0.27955 -0.13557 99 11 C 1S 0.03653 0.09124 -0.00239 0.05514 -0.02316 100 2S -0.07572 0.29579 -0.03106 0.06314 0.08114 101 2PX -0.27700 -0.11484 -0.01122 -0.02743 0.16220 102 2PY -0.27521 0.18525 -0.12237 0.22626 0.03226 103 2PZ -0.20691 -0.07057 -0.02518 -0.04388 0.16302 104 3S -0.96273 -4.83425 0.18287 -2.07865 0.96115 105 3PX -0.41390 -1.32165 -0.09870 -0.44484 0.33887 106 3PY -0.05184 1.45835 -0.45470 0.74817 0.40125 107 3PZ -0.39135 -1.40702 -0.32131 -0.36327 0.28882 108 4XX -0.07557 0.19369 0.09701 0.37306 0.12837 109 4YY -0.08994 -0.44858 0.24060 -0.44633 -0.20678 110 4ZZ 0.16435 0.23930 -0.26473 0.09941 0.19646 111 4XY -0.31765 0.10301 -0.11044 0.11638 0.10381 112 4XZ -0.24123 -0.46356 -0.11113 -0.17192 0.39641 113 4YZ -0.24341 0.23611 -0.32443 -0.27791 0.13947 114 12 C 1S -0.05664 -0.05182 -0.01610 0.00464 -0.00421 115 2S 0.00722 -0.62631 -0.01428 -0.19462 -0.06755 116 2PX -0.18052 -0.13241 -0.07432 -0.14013 0.18705 117 2PY -0.15215 0.03967 -0.04987 0.03575 0.06795 118 2PZ -0.10576 -0.11430 -0.06723 -0.11900 0.26210 119 3S 1.49368 3.28160 0.56767 0.84985 -0.13147 120 3PX -0.29028 -0.49615 -0.24042 -0.09090 0.61768 121 3PY -0.66710 -1.76820 -0.22752 -0.50825 0.02259 122 3PZ -0.09923 -0.14125 0.18665 -0.09820 0.86650 123 4XX 0.03654 -0.08725 0.19028 0.30005 -0.21480 124 4YY -0.39026 0.18180 0.02109 0.13594 -0.24617 125 4ZZ 0.29652 -0.00328 -0.14544 -0.33922 0.39996 126 4XY 0.19803 0.21174 0.07109 0.08549 -0.43684 127 4XZ 0.63515 0.23489 0.05615 0.08713 -0.03772 128 4YZ 0.18470 0.10312 -0.17790 -0.02993 -0.52115 129 13 C 1S 0.02346 0.02591 -0.04801 0.00132 0.04187 130 2S 0.03986 -0.03626 -0.01581 0.28969 -0.04341 131 2PX 0.04960 0.01443 -0.02155 0.00959 0.06553 132 2PY -0.11852 0.01562 -0.20955 0.01888 -0.08283 133 2PZ 0.11416 0.11237 0.02072 -0.06827 0.18465 134 3S -0.49004 -1.44584 0.82927 -0.89797 -0.80305 135 3PX -0.03147 0.28930 0.31660 -0.25688 0.07235 136 3PY 0.04175 0.42377 -0.69457 0.43110 -0.20207 137 3PZ 0.33171 0.32337 0.11543 0.22047 0.46022 138 4XX 0.20413 0.12016 -0.36899 -0.12560 0.22800 139 4YY -0.04522 -0.07531 0.65249 -0.02163 0.13048 140 4ZZ -0.11227 0.03902 -0.40756 0.03172 -0.29286 141 4XY -0.00312 -0.01512 -0.08523 -0.16063 0.07832 142 4XZ 0.00045 0.04236 -0.02762 0.13431 -0.16344 143 4YZ 0.20616 -0.04413 -0.11812 -0.32942 0.25632 144 14 C 1S 0.02343 -0.02592 0.04809 -0.00080 0.04179 145 2S 0.04005 0.03615 0.01572 -0.29033 -0.03991 146 2PX 0.04961 -0.01448 0.02171 -0.00877 0.06566 147 2PY 0.11859 0.01556 -0.20935 0.01987 0.08282 148 2PZ 0.11407 -0.11239 -0.02040 0.07060 0.18372 149 3S -0.48938 1.44621 -0.83085 0.88812 -0.81193 150 3PX -0.03172 -0.28939 -0.31643 0.25778 0.06942 151 3PY -0.04157 0.42391 -0.69427 0.43369 0.19758 152 3PZ 0.33183 -0.32356 -0.11463 -0.21487 0.46290 153 4XX 0.20378 -0.12024 0.36948 0.12843 0.22572 154 4YY -0.04486 0.07533 -0.65225 0.02336 0.13116 155 4ZZ -0.11243 -0.03897 0.40699 -0.03546 -0.29291 156 4XY 0.00311 -0.01520 -0.08528 -0.16163 -0.07616 157 4XZ 0.00014 -0.04226 0.02737 -0.13636 -0.16198 158 4YZ -0.20603 -0.04401 -0.11894 -0.33253 -0.25180 159 15 C 1S -0.05661 0.05185 0.01605 -0.00469 -0.00414 160 2S 0.00760 0.62636 0.01418 0.19378 -0.06963 161 2PX -0.18044 0.13253 0.07449 0.14244 0.18522 162 2PY 0.15224 0.03955 -0.04990 0.03486 -0.06838 163 2PZ -0.10568 0.11436 0.06754 0.12225 0.26046 164 3S 1.49195 -3.28263 -0.56686 -0.85162 -0.12167 165 3PX -0.28987 0.49602 0.24099 0.09858 0.61630 166 3PY 0.66624 -1.76876 -0.22707 -0.50867 -0.01697 167 3PZ -0.09891 0.14095 -0.18542 0.10880 0.86528 168 4XX 0.03682 0.08736 -0.19050 -0.30258 -0.21051 169 4YY -0.39023 -0.18184 -0.02174 -0.13916 -0.24477 170 4ZZ 0.29618 0.00323 0.14617 0.34421 0.39549 171 4XY -0.19816 0.21189 0.07165 0.09102 0.43570 172 4XZ 0.63494 -0.23517 -0.05574 -0.08746 -0.03641 173 4YZ -0.18474 0.10320 -0.17722 -0.02359 0.52158 174 16 H 1S -0.09987 -0.20978 0.07964 -0.00911 -0.11827 175 2S -0.07841 0.56189 -0.02351 0.12883 0.10363 176 17 H 1S -0.09968 0.20980 -0.07988 0.00761 -0.11820 177 2S -0.07879 -0.56179 0.02364 -0.12747 0.10502 178 18 H 1S 0.20368 -0.05724 -0.01445 -0.06838 0.12430 179 2S 0.03410 0.33772 0.13674 0.13011 -0.05917 180 19 H 1S -0.02373 0.01139 0.07775 0.16891 -0.03645 181 2S 0.04287 -0.05049 -0.15064 0.06214 -0.04651 182 20 H 1S -0.02349 -0.01148 -0.07784 -0.16942 -0.03417 183 2S 0.04280 0.05060 0.15060 -0.06271 -0.04600 184 21 H 1S 0.20370 0.05722 0.01481 0.06999 0.12343 185 2S 0.03397 -0.33781 -0.13682 -0.13090 -0.05752 186 22 H 1S -0.06353 0.07369 0.10672 0.08894 -0.03637 187 2S -0.05817 0.03257 0.01691 -0.15829 -0.03041 188 23 H 1S -0.06362 -0.07363 -0.10681 -0.08936 -0.03521 189 2S -0.05830 -0.03250 -0.01698 0.15799 -0.03250 171 172 173 174 175 V V V V V Eigenvalues -- 2.73616 2.76592 2.80390 2.86686 2.87995 1 1 C 1S 0.02040 0.02611 0.10187 -0.01587 0.02803 2 2S 0.15103 -0.09143 0.64210 0.06176 -0.18667 3 2PX -0.04674 -0.25700 -0.27623 -0.09538 -0.32203 4 2PY 0.13904 0.17847 -0.23352 0.28263 0.08276 5 2PZ -0.05914 -0.16147 -0.03075 -0.07265 -0.22880 6 3S -1.07817 -0.60944 -5.68250 0.43057 -0.97007 7 3PX -0.11830 -0.18940 -0.75615 -0.02182 -0.37011 8 3PY -0.02860 0.16186 -2.30580 0.29546 0.32774 9 3PZ -0.50470 -0.19701 -1.89571 -0.01321 -0.33062 10 4XX -0.21065 -0.03747 0.18627 -0.23072 -0.22113 11 4YY 0.32782 -0.04504 -0.47813 0.55703 0.21569 12 4ZZ -0.03546 0.09118 0.11926 -0.30822 -0.07969 13 4XY 0.04320 0.25632 0.00803 -0.44738 0.13241 14 4XZ -0.00891 -0.18771 -0.42151 -0.10647 -0.37877 15 4YZ 0.05483 0.18865 -0.38960 -0.50465 0.10492 16 2 O 1S -0.02198 -0.04852 -0.03128 0.03037 0.00137 17 2S -0.42694 -0.32923 -0.85420 0.04173 0.00699 18 2PX 0.00657 0.00127 0.05071 0.02990 0.04384 19 2PY 0.00618 0.07699 -0.04191 -0.02986 0.05006 20 2PZ -0.01053 0.00314 0.01562 0.02244 0.03258 21 3S 1.35526 1.35329 2.86366 -0.44208 -0.02074 22 3PX -0.11317 -0.25805 -0.65492 -0.17991 -1.07645 23 3PY 0.45637 0.17194 0.96882 -0.06254 -0.44099 24 3PZ 0.05635 -0.12545 -0.17146 -0.15468 -0.86917 25 4XX -0.07406 0.23276 0.02379 -0.04088 0.31488 26 4YY 0.17096 -0.51159 0.23120 0.15088 -0.30399 27 4ZZ -0.09883 0.06928 -0.25480 0.07242 0.05382 28 4XY 0.11083 0.11493 -0.06527 -0.43284 -0.65004 29 4XZ 0.16074 0.60834 0.24010 -0.17646 0.18661 30 4YZ 0.13757 0.14041 0.13010 -0.28890 -0.54323 31 3 C 1S 0.00000 0.02773 0.00000 0.00001 -0.07867 32 2S 0.00008 -0.01875 0.00001 -0.00004 0.25246 33 2PX -0.00004 0.05927 0.00000 0.00005 -0.29566 34 2PY 0.39081 -0.00003 0.51833 -0.34022 -0.00003 35 2PZ 0.00000 0.07562 0.00006 0.00002 -0.32734 36 3S 0.00006 -0.75684 -0.00004 -0.00036 2.15268 37 3PX 0.00000 0.00931 0.00001 0.00007 -0.37838 38 3PY 0.38417 -0.00001 0.28911 -0.32209 -0.00004 39 3PZ 0.00003 -0.03200 0.00001 0.00002 -0.35550 40 4XX 0.00003 0.39412 0.00000 0.00007 -0.35333 41 4YY -0.00002 -0.74233 0.00005 -0.00018 0.56670 42 4ZZ -0.00003 0.40249 -0.00005 0.00010 -0.24787 43 4XY -0.35231 0.00001 -0.39847 0.12342 0.00002 44 4XZ 0.00001 0.14357 -0.00004 -0.00001 0.16513 45 4YZ -0.31671 -0.00013 -0.32482 0.27978 0.00017 46 4 C 1S -0.02040 0.02612 -0.10187 0.01586 0.02803 47 2S -0.15125 -0.09140 -0.64210 -0.06174 -0.18665 48 2PX 0.04672 -0.25701 0.27624 0.09548 -0.32196 49 2PY 0.13907 -0.17845 -0.23355 0.28264 -0.08260 50 2PZ 0.05912 -0.16152 0.03071 0.07278 -0.22877 51 3S 1.07831 -0.60972 5.68267 -0.43024 -0.97030 52 3PX 0.11835 -0.18939 0.75605 0.02194 -0.37011 53 3PY -0.02889 -0.16183 -2.30608 0.29554 -0.32751 54 3PZ 0.50492 -0.19718 1.89521 0.01342 -0.33077 55 4XX 0.21065 -0.03748 -0.18624 0.23080 -0.22103 56 4YY -0.32780 -0.04492 0.47825 -0.55692 0.21552 57 4ZZ 0.03554 0.09110 -0.11941 0.30809 -0.07963 58 4XY 0.04316 -0.25623 0.00795 -0.44737 -0.13248 59 4XZ 0.00896 -0.18775 0.42148 0.10649 -0.37874 60 4YZ 0.05470 -0.18866 -0.38944 -0.50484 -0.10502 61 5 H 1S 0.00000 -0.09324 0.00000 0.00001 -0.05902 62 2S -0.00002 0.22036 0.00003 0.00003 -0.15264 63 6 H 1S -0.00002 -0.07778 0.00000 -0.00001 0.00248 64 2S 0.00000 0.16849 0.00000 0.00003 -0.15177 65 7 O 1S 0.02197 -0.04852 0.03128 -0.03037 0.00136 66 2S 0.42704 -0.32932 0.85420 -0.04172 0.00697 67 2PX -0.00656 0.00129 -0.05072 -0.02991 0.04382 68 2PY 0.00614 -0.07698 -0.04191 -0.02985 -0.05007 69 2PZ 0.01054 0.00313 -0.01564 -0.02246 0.03256 70 3S -1.35553 1.35350 -2.86368 0.44210 -0.02055 71 3PX 0.11318 -0.25811 0.65495 0.18027 -1.07635 72 3PY 0.45660 -0.17199 0.96877 -0.06269 0.44113 73 3PZ -0.05628 -0.12548 0.17171 0.15496 -0.86898 74 4XX 0.07413 0.23277 -0.02378 0.04080 0.31487 75 4YY -0.17121 -0.51150 -0.23124 -0.15072 -0.30421 76 4ZZ 0.09898 0.06922 0.25485 -0.07253 0.05398 77 4XY 0.11083 -0.11504 -0.06521 -0.43312 0.64984 78 4XZ -0.16064 0.60832 -0.24012 0.17634 0.18678 79 4YZ 0.13750 -0.14056 0.12997 -0.28912 0.54302 80 8 H 1S 0.04898 -0.02767 -0.25011 -0.27606 0.05031 81 2S -0.04061 0.05111 0.71653 0.10444 0.01789 82 9 H 1S -0.04898 -0.02768 0.25012 0.27604 0.05042 83 2S 0.04074 0.05111 -0.71661 -0.10442 0.01790 84 10 C 1S 0.03643 0.00322 0.00785 0.00507 0.00694 85 2S 0.29415 0.05988 0.04156 -0.01533 0.13544 86 2PX -0.12047 -0.00290 -0.03305 -0.00523 -0.01193 87 2PY 0.19062 0.00780 0.00859 -0.03251 0.04022 88 2PZ -0.08421 -0.01759 -0.01750 0.00478 -0.02913 89 3S -3.14557 -0.20735 -1.03550 -0.26948 -0.42644 90 3PX -1.23004 -0.08246 -0.40717 -0.03825 -0.19545 91 3PY -0.53640 0.05194 -0.22294 -0.14428 0.04309 92 3PZ -1.31415 -0.02234 -0.38914 -0.03339 -0.09450 93 4XX -0.22846 -0.02247 0.00534 0.01804 -0.04931 94 4YY 0.29243 0.00205 -0.00566 -0.04839 -0.01554 95 4ZZ -0.05808 -0.00929 -0.01546 0.05293 0.00266 96 4XY 0.06453 0.00881 -0.03098 -0.01534 0.02451 97 4XZ -0.34518 -0.03732 -0.02879 0.03096 -0.06113 98 4YZ -0.20032 0.00521 0.01932 -0.04912 0.01943 99 11 C 1S -0.03644 0.00324 -0.00785 -0.00508 0.00694 100 2S -0.29402 0.05995 -0.04154 0.01531 0.13544 101 2PX 0.12051 -0.00293 0.03307 0.00523 -0.01192 102 2PY 0.19050 -0.00779 0.00860 -0.03251 -0.04015 103 2PZ 0.08428 -0.01761 0.01754 -0.00478 -0.02912 104 3S 3.14568 -0.20853 1.03563 0.26959 -0.42643 105 3PX 1.22990 -0.08284 0.40717 0.03827 -0.19536 106 3PY -0.53658 -0.05162 -0.22302 -0.14427 -0.04288 107 3PZ 1.31400 -0.02275 0.38912 0.03338 -0.09444 108 4XX 0.22848 -0.02244 -0.00536 -0.01803 -0.04926 109 4YY -0.29254 0.00203 0.00567 0.04840 -0.01562 110 4ZZ 0.05814 -0.00928 0.01547 -0.05295 0.00268 111 4XY 0.06431 -0.00881 -0.03097 -0.01532 -0.02447 112 4XZ 0.34523 -0.03742 0.02881 -0.03096 -0.06110 113 4YZ -0.20047 -0.00518 0.01934 -0.04910 -0.01939 114 12 C 1S 0.07982 -0.00424 0.01700 0.00219 -0.01092 115 2S 0.83721 -0.03467 0.48238 0.16648 -0.07338 116 2PX 0.12909 -0.01677 0.04248 -0.00101 -0.02463 117 2PY 0.01610 -0.00265 -0.08054 -0.02809 -0.00836 118 2PZ -0.01712 -0.01863 0.09845 -0.04599 -0.02221 119 3S -4.27749 0.16209 -1.05830 -0.35934 0.44499 120 3PX 0.17263 -0.02300 0.05197 -0.08360 -0.04701 121 3PY 1.92027 -0.03094 0.68745 0.18299 -0.15626 122 3PZ -0.39679 -0.11325 0.18556 -0.05300 -0.17437 123 4XX 0.23977 0.02706 -0.18562 0.01998 0.03293 124 4YY -0.16956 0.01129 -0.00201 -0.02502 0.00305 125 4ZZ -0.29001 -0.03067 0.05341 -0.06296 -0.02618 126 4XY -0.19879 0.03011 0.03040 0.01937 0.04583 127 4XZ -0.28933 0.00069 0.04612 -0.01699 0.03653 128 4YZ 0.07344 0.02825 -0.12961 0.04422 0.04024 129 13 C 1S -0.03529 -0.00444 0.01175 -0.00772 -0.00607 130 2S -0.21546 -0.04659 0.27631 -0.03907 0.02168 131 2PX -0.06097 -0.00917 0.05048 -0.01276 0.01710 132 2PY 0.12105 0.01042 -0.04003 0.01735 -0.00858 133 2PZ -0.20582 -0.00093 -0.06668 -0.02578 -0.00322 134 3S 2.28318 0.12411 -0.19894 0.33568 0.04018 135 3PX -0.34296 0.03077 -0.49661 0.02459 -0.05191 136 3PY 0.21078 0.01825 -0.04637 -0.02016 0.04520 137 3PZ -0.97259 -0.04559 0.40361 -0.15962 0.01749 138 4XX -0.01230 -0.00319 -0.06134 -0.01236 -0.01494 139 4YY -0.35540 -0.00818 0.13330 -0.04037 -0.02519 140 4ZZ 0.36183 0.01972 -0.14066 0.04830 0.00306 141 4XY -0.04691 -0.00772 0.04526 -0.00380 -0.02317 142 4XZ 0.17534 -0.00251 -0.08612 0.02021 -0.01353 143 4YZ -0.15774 -0.01570 0.03244 -0.01508 -0.01006 144 14 C 1S 0.03531 -0.00445 -0.01175 0.00772 -0.00607 145 2S 0.21550 -0.04669 -0.27633 0.03907 0.02177 146 2PX 0.06104 -0.00919 -0.05046 0.01277 0.01709 147 2PY 0.12107 -0.01047 -0.04004 0.01734 0.00855 148 2PZ 0.20594 -0.00097 0.06670 0.02579 -0.00323 149 3S -2.28375 0.12484 0.19894 -0.33575 0.03984 150 3PX 0.34318 0.03078 0.49663 -0.02454 -0.05187 151 3PY 0.21063 -0.01823 -0.04623 -0.02017 -0.04539 152 3PZ 0.97290 -0.04595 -0.40375 0.15964 0.01755 153 4XX 0.01235 -0.00314 0.06141 0.01236 -0.01492 154 4YY 0.35552 -0.00832 -0.13331 0.04039 -0.02528 155 4ZZ -0.36197 0.01982 0.14061 -0.04831 0.00311 156 4XY -0.04695 0.00769 0.04528 -0.00380 0.02318 157 4XZ -0.17553 -0.00244 0.08609 -0.02023 -0.01350 158 4YZ -0.15769 0.01568 0.03240 -0.01508 0.01006 159 15 C 1S -0.07983 -0.00421 -0.01699 -0.00219 -0.01092 160 2S -0.83721 -0.03441 -0.48241 -0.16645 -0.07346 161 2PX -0.12906 -0.01673 -0.04252 0.00101 -0.02467 162 2PY 0.01613 0.00267 -0.08054 -0.02810 0.00838 163 2PZ 0.01720 -0.01862 -0.09844 0.04598 -0.02223 164 3S 4.27783 0.16081 1.05809 0.35925 0.44525 165 3PX -0.17203 -0.02297 -0.05188 0.08365 -0.04704 166 3PY 1.92048 0.03034 0.68744 0.18294 0.15638 167 3PZ 0.39747 -0.11334 -0.18531 0.05311 -0.17441 168 4XX -0.23994 0.02705 0.18553 -0.01998 0.03294 169 4YY 0.16948 0.01125 0.00211 0.02500 0.00311 170 4ZZ 0.29022 -0.03070 -0.05339 0.06298 -0.02619 171 4XY -0.19858 -0.03005 0.03039 0.01939 -0.04589 172 4XZ 0.28955 0.00058 -0.04618 0.01703 0.03653 173 4YZ 0.07352 -0.02830 -0.12956 0.04422 -0.04029 174 16 H 1S 0.12362 0.02201 -0.01168 0.00244 0.02007 175 2S -0.42550 -0.00032 -0.13493 -0.01617 -0.02759 176 17 H 1S -0.12370 0.02204 0.01168 -0.00244 0.02007 177 2S 0.42545 -0.00045 0.13492 0.01617 -0.02758 178 18 H 1S 0.11628 -0.02565 -0.04147 0.01883 -0.02166 179 2S -0.44609 0.01675 -0.11995 -0.05357 0.03661 180 19 H 1S -0.09128 0.00560 0.11180 -0.02476 0.02015 181 2S -0.08267 -0.05640 0.10170 -0.00537 0.00228 182 20 H 1S 0.09128 0.00551 -0.11179 0.02476 0.02015 183 2S 0.08267 -0.05643 -0.10174 0.00537 0.00224 184 21 H 1S -0.11620 -0.02562 0.04146 -0.01883 -0.02169 185 2S 0.44612 0.01659 0.11997 0.05355 0.03662 186 22 H 1S -0.08222 -0.00730 -0.06371 -0.00165 -0.02117 187 2S -0.07224 0.01780 -0.22398 0.01486 -0.02810 188 23 H 1S 0.08220 -0.00730 0.06372 0.00166 -0.02115 189 2S 0.07223 0.01783 0.22402 -0.01485 -0.02809 176 177 178 179 180 V V V V V Eigenvalues -- 2.94456 3.10576 3.13119 4.00622 4.10578 1 1 C 1S -0.01523 0.05495 -0.02322 -0.01588 0.08282 2 2S -0.20088 0.14358 -0.05599 0.24721 -0.76958 3 2PX 0.01443 -0.40497 0.06183 -0.05286 0.15492 4 2PY 0.06655 0.23588 -0.03995 0.04192 0.10389 5 2PZ -0.03107 -0.19921 0.03809 -0.00440 0.06218 6 3S 1.13285 -2.85758 1.07672 -0.87302 2.53952 7 3PX 0.19109 -1.00641 0.26736 -0.33973 1.11904 8 3PY 0.48963 -0.28833 0.34380 0.07253 0.49188 9 3PZ 0.48597 -1.49299 0.47250 -0.33712 1.34330 10 4XX -0.03890 -0.30786 0.04768 -0.04398 0.40530 11 4YY 0.12584 0.24497 -0.04001 -0.07707 0.50449 12 4ZZ -0.00489 0.00967 -0.03496 -0.05322 0.37493 13 4XY -0.02564 0.44148 -0.06496 -0.08593 0.01244 14 4XZ 0.03151 -0.47073 0.07871 -0.05439 0.12126 15 4YZ -0.01451 0.33450 -0.07147 -0.06455 0.03972 16 2 O 1S 0.00778 0.00147 -0.00816 -0.38225 0.39998 17 2S 0.14691 -0.41005 0.13670 -0.38938 0.57610 18 2PX 0.00760 -0.00747 -0.00147 0.05584 -0.07602 19 2PY 0.00947 0.02955 -0.00259 -0.13502 0.17063 20 2PZ 0.00772 -0.00940 0.00617 0.02055 -0.00397 21 3S -0.59142 1.45536 -0.40969 4.65392 -5.24154 22 3PX 0.06274 -1.36950 0.28295 -0.18057 0.81928 23 3PY -0.20471 -0.03388 -0.06798 0.95536 -0.82522 24 3PZ -0.02824 -0.98145 0.16663 -0.01576 0.39194 25 4XX -0.00153 0.50053 -0.12351 -1.23322 1.20328 26 4YY -0.04086 -0.38761 0.02780 -1.13402 1.25927 27 4ZZ 0.04661 0.13356 -0.04522 -1.29802 1.35557 28 4XY -0.04397 -0.42487 0.07226 0.03972 0.14550 29 4XZ -0.02102 0.40037 -0.06595 0.08296 -0.23272 30 4YZ -0.07273 -0.38086 0.05790 0.08591 0.07045 31 3 C 1S 0.00000 0.00000 0.00000 -0.11845 0.00002 32 2S -0.00004 0.00000 -0.00001 0.95151 -0.00005 33 2PX 0.00003 0.00001 0.00000 0.13753 0.00002 34 2PY -0.14722 -0.36051 0.02390 0.00000 -0.06092 35 2PZ 0.00001 -0.00003 0.00000 0.11879 0.00002 36 3S -0.00014 -0.00008 0.00001 -2.06039 -0.00071 37 3PX -0.00004 0.00003 -0.00002 0.55604 0.00018 38 3PY -0.11068 -0.80259 0.11818 -0.00002 -0.41054 39 3PZ 0.00002 -0.00009 0.00000 0.60167 0.00011 40 4XX 0.00002 0.00000 0.00000 -0.55714 0.00006 41 4YY -0.00005 -0.00008 0.00001 -0.37552 0.00012 42 4ZZ 0.00003 0.00007 -0.00001 -0.55297 0.00004 43 4XY 0.09551 0.36566 -0.03348 0.00001 -0.04178 44 4XZ 0.00001 0.00004 0.00000 -0.05093 -0.00004 45 4YZ 0.09449 0.34656 -0.03852 0.00003 -0.11136 46 4 C 1S 0.01522 -0.05496 0.02322 -0.01586 -0.08304 47 2S 0.20098 -0.14360 0.05602 0.24704 0.77117 48 2PX -0.01436 0.40499 -0.06182 -0.05283 -0.15500 49 2PY 0.06655 0.23584 -0.03996 -0.04195 0.10379 50 2PZ 0.03115 0.19928 -0.03809 -0.00441 -0.06219 51 3S -1.13264 2.85781 -1.07667 -0.87254 -2.53942 52 3PX -0.19103 1.00640 -0.26737 -0.33944 -1.11913 53 3PY 0.48987 -0.28856 0.34398 -0.07261 0.49216 54 3PZ -0.48585 1.49298 -0.47248 -0.33684 -1.34343 55 4XX 0.03893 0.30788 -0.04768 -0.04391 -0.40625 56 4YY -0.12588 -0.24511 0.04002 -0.07696 -0.50533 57 4ZZ 0.00489 -0.00955 0.03492 -0.05311 -0.37585 58 4XY -0.02560 0.44139 -0.06495 0.08594 0.01246 59 4XZ -0.03143 0.47084 -0.07873 -0.05434 -0.12130 60 4YZ -0.01452 0.33445 -0.07146 0.06454 0.03969 61 5 H 1S -0.00001 0.00001 0.00000 0.22973 0.00004 62 2S 0.00003 0.00001 0.00001 -0.03669 0.00004 63 6 H 1S 0.00001 0.00000 0.00000 0.22760 0.00003 64 2S 0.00003 -0.00001 0.00001 0.00609 0.00004 65 7 O 1S -0.00778 -0.00147 0.00816 -0.38216 -0.40011 66 2S -0.14684 0.41007 -0.13669 -0.38927 -0.57633 67 2PX -0.00762 0.00747 0.00147 0.05582 0.07599 68 2PY 0.00949 0.02955 -0.00258 0.13498 0.17068 69 2PZ -0.00771 0.00940 -0.00617 0.02058 0.00399 70 3S 0.59132 -1.45544 0.40970 4.65280 5.24347 71 3PX -0.06248 1.36958 -0.28293 -0.18040 -0.81941 72 3PY -0.20480 -0.03409 -0.06797 -0.95518 -0.82563 73 3PZ 0.02834 0.98154 -0.16663 -0.01589 -0.39217 74 4XX 0.00144 -0.50053 0.12349 -1.23295 -1.20365 75 4YY 0.04094 0.38776 -0.02783 -1.13370 -1.25970 76 4ZZ -0.04668 -0.13369 0.04523 -1.29774 -1.35598 77 4XY -0.04408 -0.42483 0.07224 -0.03977 0.14552 78 4XZ 0.02096 -0.40048 0.06596 0.08291 0.23288 79 4YZ -0.07279 -0.38077 0.05788 -0.08588 0.07049 80 8 H 1S -0.01793 0.14802 -0.05659 0.08758 0.07025 81 2S -0.14518 0.20834 -0.09794 -0.04059 -0.40011 82 9 H 1S 0.01791 -0.14803 0.05657 0.08759 -0.07012 83 2S 0.14514 -0.20838 0.09790 -0.04070 0.39987 84 10 C 1S 0.00100 0.00436 -0.05714 -0.03379 0.00883 85 2S -0.02739 0.22681 0.08204 0.31078 -0.39488 86 2PX -0.17675 0.01770 0.08614 -0.02375 0.02797 87 2PY 0.40582 -0.01750 0.07878 0.03270 0.02159 88 2PZ -0.16364 -0.00505 0.04918 -0.03624 0.03557 89 3S 0.11103 -1.02780 2.10618 -0.18954 1.45259 90 3PX -0.68040 -0.37073 0.61999 -0.12017 0.55505 91 3PY 1.46909 -0.34318 0.58821 0.03477 0.60843 92 3PZ -0.45996 -0.21241 0.71494 -0.05087 0.45543 93 4XX -0.35289 -0.04139 -0.14046 -0.18800 0.14962 94 4YY 0.64459 -0.00436 0.38802 -0.14225 0.22087 95 4ZZ -0.26138 -0.05614 -0.35632 -0.15352 0.09977 96 4XY 0.27757 -0.13535 -0.55062 0.01525 -0.01981 97 4XZ -0.38715 -0.03622 0.02792 -0.03909 0.07219 98 4YZ 0.31034 -0.08214 -0.45037 0.01224 -0.04286 99 11 C 1S -0.00099 -0.00436 0.05714 -0.03378 -0.00899 100 2S 0.02734 -0.22677 -0.08204 0.31078 0.39606 101 2PX 0.17683 -0.01768 -0.08611 -0.02376 -0.02796 102 2PY 0.40578 -0.01750 0.07884 -0.03270 0.02157 103 2PZ 0.16370 0.00507 -0.04916 -0.03625 -0.03556 104 3S -0.11107 1.02799 -2.10612 -0.18974 -1.45263 105 3PX 0.68069 0.37072 -0.61984 -0.12030 -0.55507 106 3PY 1.46884 -0.34321 0.58839 -0.03484 0.60850 107 3PZ 0.46019 0.21237 -0.71481 -0.05098 -0.45544 108 4XX 0.35300 0.04134 0.14028 -0.18800 -0.15027 109 4YY -0.64474 0.00440 -0.38773 -0.14223 -0.22145 110 4ZZ 0.26146 0.05612 0.35619 -0.15352 -0.10042 111 4XY 0.27733 -0.13536 -0.55070 -0.01524 -0.01981 112 4XZ 0.38725 0.03621 -0.02806 -0.03910 -0.07222 113 4YZ 0.31013 -0.08215 -0.45048 -0.01223 -0.04286 114 12 C 1S 0.00270 0.00737 -0.05161 0.01871 0.02604 115 2S -0.22329 0.37735 -0.09999 -0.25461 -0.58015 116 2PX 0.21135 0.01236 -0.17930 -0.02142 -0.05977 117 2PY 0.14415 -0.05425 -0.05555 0.00597 0.00029 118 2PZ 0.24010 0.02623 -0.11043 -0.02750 -0.03780 119 3S -0.36146 -0.85278 1.91472 0.29248 1.23145 120 3PX 0.85910 -0.08784 -0.11738 -0.05166 0.08994 121 3PY -0.03551 0.47504 -0.86080 -0.18178 -0.81125 122 3PZ 1.12975 -0.03575 0.21900 -0.07161 0.20523 123 4XX -0.15731 -0.07175 0.09824 0.13837 0.26039 124 4YY -0.04289 -0.11043 -0.46045 0.10319 0.20054 125 4ZZ 0.17121 0.02610 0.34369 0.09645 0.23188 126 4XY -0.39085 0.01010 -0.01696 0.03131 0.01395 127 4XZ -0.17259 0.07736 0.44746 0.01484 0.08643 128 4YZ -0.46130 0.01151 0.00051 0.04410 -0.00811 129 13 C 1S 0.00107 0.00688 0.03691 0.06652 0.01606 130 2S -0.06634 0.19563 -0.02990 -0.46088 0.06901 131 2PX 0.03444 0.02767 0.02569 -0.01904 0.03805 132 2PY -0.12632 0.00899 -0.05812 0.02753 -0.01920 133 2PZ 0.12789 -0.05875 0.14380 0.00922 0.03085 134 3S -0.24497 -0.11452 -1.19789 -0.20587 -0.86954 135 3PX 0.09390 -0.34143 0.16165 0.12594 0.03443 136 3PY -0.72621 0.15674 0.02063 -0.03476 0.17301 137 3PZ 0.55362 0.09804 0.32375 0.00220 0.47734 138 4XX -0.01175 -0.01194 0.20101 0.28881 0.05186 139 4YY 0.36521 -0.06424 0.00085 0.24083 0.00082 140 4ZZ -0.34535 -0.00600 -0.07846 0.24867 -0.04262 141 4XY 0.04029 0.02393 0.06245 -0.00048 -0.00707 142 4XZ -0.11565 -0.00297 0.01338 -0.02081 -0.06515 143 4YZ 0.10589 0.03774 0.31211 0.00149 0.01850 144 14 C 1S -0.00107 -0.00688 -0.03692 0.06653 -0.01624 145 2S 0.06638 -0.19565 0.02991 -0.46107 -0.06793 146 2PX -0.03447 -0.02766 -0.02573 -0.01904 -0.03806 147 2PY -0.12627 0.00897 -0.05810 -0.02752 -0.01919 148 2PZ -0.12792 0.05877 -0.14383 0.00922 -0.03088 149 3S 0.24499 0.11448 1.19804 -0.20572 0.87006 150 3PX -0.09391 0.34142 -0.16175 0.12605 -0.03457 151 3PY -0.72614 0.15683 0.02067 0.03496 0.17310 152 3PZ -0.55371 -0.09810 -0.32377 0.00229 -0.47726 153 4XX 0.01180 0.01196 -0.20103 0.28891 -0.05253 154 4YY -0.36526 0.06423 -0.00098 0.24093 -0.00142 155 4ZZ 0.34533 0.00599 0.07856 0.24871 0.04193 156 4XY 0.04033 0.02393 0.06247 0.00049 -0.00707 157 4XZ 0.11574 0.00295 -0.01326 -0.02082 0.06519 158 4YZ 0.10569 0.03777 0.31210 -0.00152 0.01854 159 15 C 1S -0.00270 -0.00736 0.05162 0.01872 -0.02619 160 2S 0.22326 -0.37737 0.10001 -0.25470 0.58104 161 2PX -0.21131 -0.01240 0.17930 -0.02143 0.05976 162 2PY 0.14422 -0.05425 -0.05561 -0.00595 0.00031 163 2PZ -0.24006 -0.02623 0.11043 -0.02751 0.03781 164 3S 0.36153 0.85257 -1.91493 0.29235 -1.23082 165 3PX -0.85926 0.08797 0.11717 -0.05149 -0.09023 166 3PY -0.03515 0.47493 -0.86086 0.18168 -0.81121 167 3PZ -1.12969 0.03594 -0.21919 -0.07135 -0.20553 168 4XX 0.15718 0.07171 -0.09827 0.13840 -0.26089 169 4YY 0.04316 0.11046 0.46046 0.10326 -0.20113 170 4ZZ -0.17135 -0.02604 -0.34366 0.09650 -0.23236 171 4XY -0.39094 0.01015 -0.01676 -0.03131 0.01394 172 4XZ 0.17239 -0.07736 -0.44757 0.01483 -0.08638 173 4YZ -0.46126 0.01156 0.00076 -0.04408 -0.00809 174 16 H 1S 0.00031 0.07454 0.29570 0.03218 0.00490 175 2S 0.02805 -0.12663 0.07930 -0.03813 0.21907 176 17 H 1S -0.00030 -0.07456 -0.29569 0.03219 -0.00480 177 2S -0.02803 0.12662 -0.07928 -0.03815 -0.21920 178 18 H 1S 0.03106 0.04416 0.20523 -0.01767 -0.00161 179 2S 0.00283 -0.14008 0.04756 0.08717 0.23773 180 19 H 1S 0.01114 0.03981 -0.04582 -0.01860 0.10078 181 2S -0.00862 0.10172 0.09747 -0.03425 -0.14555 182 20 H 1S -0.01115 -0.03980 0.04579 -0.01863 -0.10072 183 2S 0.00856 -0.10171 -0.09746 -0.03436 0.14549 184 21 H 1S -0.03106 -0.04417 -0.20522 -0.01769 0.00167 185 2S -0.00284 0.14006 -0.04757 0.08714 -0.23789 186 22 H 1S 0.00178 -0.03759 0.01600 -0.02332 -0.01829 187 2S 0.00278 -0.13848 0.07821 0.11744 -0.06028 188 23 H 1S -0.00178 0.03760 -0.01599 -0.02333 0.01837 189 2S -0.00280 0.13850 -0.07823 0.11745 0.06008 181 182 183 184 185 V V V V V Eigenvalues -- 4.12767 4.25202 4.26809 4.36207 4.37018 1 1 C 1S -0.19133 -0.07301 0.14514 0.25564 0.11820 2 2S 1.23056 0.54278 -0.63413 -1.30857 -0.92899 3 2PX -0.05224 -0.01536 0.00532 0.01095 0.03726 4 2PY 0.06968 0.06630 0.00609 -0.03779 0.08652 5 2PZ -0.03588 -0.00412 0.04881 0.08640 0.03201 6 3S 0.46601 -0.12382 -0.41158 -1.23899 -0.31734 7 3PX 0.05134 -0.27429 0.01901 0.02044 -0.32892 8 3PY -0.03796 -0.04789 -0.18473 0.09209 0.03823 9 3PZ -0.00297 -0.29399 -0.16509 -0.24567 0.02323 10 4XX -0.77691 -0.32358 0.50707 0.99661 0.56055 11 4YY -0.69182 -0.27514 0.44728 0.87220 0.64140 12 4ZZ -0.76268 -0.32082 0.52724 0.98166 0.52053 13 4XY 0.01169 0.00351 -0.02672 -0.04982 -0.03224 14 4XZ -0.01773 -0.06143 -0.00856 0.06508 0.00598 15 4YZ -0.00494 0.02031 0.00692 0.00398 0.00792 16 2 O 1S -0.01917 -0.09698 0.06218 -0.11344 -0.05536 17 2S -0.04232 -0.20542 -0.03586 -0.09092 -0.03469 18 2PX -0.03442 -0.00225 0.04231 0.04603 0.02274 19 2PY -0.00370 -0.02743 0.05073 -0.07971 -0.03111 20 2PZ -0.03322 -0.00119 0.03427 0.01600 0.02040 21 3S 0.27983 1.47887 -0.67566 1.52484 0.68665 22 3PX -0.02161 -0.14849 0.04669 -0.11366 0.04053 23 3PY 0.10459 0.36502 0.07357 0.10064 0.06062 24 3PZ 0.01840 -0.05680 0.08290 0.00387 -0.00981 25 4XX -0.00479 -0.26626 0.16932 -0.44014 -0.23292 26 4YY -0.07176 -0.25343 0.41479 -0.46440 -0.18912 27 4ZZ -0.03590 -0.31341 0.17578 -0.43514 -0.19951 28 4XY -0.04952 -0.01884 0.14323 -0.02006 0.03235 29 4XZ 0.06895 0.07571 0.01343 -0.13455 -0.04384 30 4YZ -0.02822 0.01153 0.14880 -0.02491 0.02475 31 3 C 1S 0.06725 -0.05276 -0.40593 0.21152 0.00020 32 2S -0.25834 0.37084 2.24824 -1.34952 -0.00129 33 2PX 0.00836 0.05115 0.11163 -0.04492 -0.00005 34 2PY 0.00004 0.00000 -0.00002 0.00001 -0.00150 35 2PZ 0.00504 0.06353 0.10705 -0.04133 -0.00004 36 3S -0.67830 -0.51207 2.05279 -1.32862 -0.00125 37 3PX 0.13191 0.20291 -0.09312 -0.02950 -0.00002 38 3PY 0.00020 0.00001 -0.00001 -0.00012 0.14476 39 3PZ 0.09209 0.13858 -0.02571 -0.04792 -0.00005 40 4XX 0.21285 -0.22444 -1.53743 0.88458 0.00086 41 4YY 0.23199 -0.21311 -1.73834 0.98680 0.00093 42 4ZZ 0.22390 -0.24379 -1.56218 0.85064 0.00082 43 4XY 0.00002 0.00001 0.00001 -0.00002 0.00710 44 4XZ -0.03895 -0.03610 -0.03270 0.07872 0.00008 45 4YZ 0.00006 0.00002 -0.00002 0.00001 0.00643 46 4 C 1S -0.19123 -0.07298 0.14513 0.25585 -0.11768 47 2S 1.22959 0.54259 -0.63409 -1.31022 0.92633 48 2PX -0.05205 -0.01532 0.00531 0.01102 -0.03722 49 2PY -0.06980 -0.06633 -0.00610 0.03762 0.08658 50 2PZ -0.03582 -0.00412 0.04880 0.08646 -0.03181 51 3S 0.46871 -0.12339 -0.41164 -1.23955 0.31504 52 3PX 0.05251 -0.27396 0.01892 0.01981 0.32901 53 3PY 0.03748 0.04788 0.18474 -0.09217 0.03818 54 3PZ -0.00149 -0.29371 -0.16513 -0.24570 -0.02370 55 4XX -0.77639 -0.32345 0.50704 0.99759 -0.55855 56 4YY -0.69119 -0.27499 0.44725 0.87334 -0.63965 57 4ZZ -0.76220 -0.32071 0.52720 0.98257 -0.51854 58 4XY -0.01170 -0.00349 0.02672 0.04987 -0.03216 59 4XZ -0.01761 -0.06140 -0.00856 0.06510 -0.00585 60 4YZ 0.00491 -0.02029 -0.00694 -0.00403 0.00788 61 5 H 1S 0.00038 0.06944 0.08061 -0.02107 -0.00002 62 2S 0.13000 0.03738 -0.44944 0.33235 0.00032 63 6 H 1S 0.00423 0.05873 0.08712 -0.02326 -0.00003 64 2S 0.07080 -0.04075 -0.42369 0.27734 0.00026 65 7 O 1S -0.01874 -0.09689 0.06217 -0.11354 0.05517 66 2S -0.04167 -0.20527 -0.03589 -0.09099 0.03455 67 2PX -0.03451 -0.00227 0.04231 0.04606 -0.02266 68 2PY 0.00352 0.02739 -0.05074 0.07976 -0.03095 69 2PZ -0.03322 -0.00118 0.03427 0.01605 -0.02038 70 3S 0.27415 1.47770 -0.67542 1.52609 -0.68405 71 3PX -0.02068 -0.14828 0.04665 -0.11361 -0.04068 72 3PY -0.10370 -0.36483 -0.07363 -0.10074 0.06043 73 3PZ 0.01880 -0.05678 0.08285 0.00380 0.00987 74 4XX -0.00351 -0.26600 0.16928 -0.44055 0.23215 75 4YY -0.07042 -0.25315 0.41480 -0.46475 0.18833 76 4ZZ -0.03443 -0.31313 0.17567 -0.43548 0.19877 77 4XY 0.04934 0.01878 -0.14322 0.02004 0.03238 78 4XZ 0.06870 0.07566 0.01342 -0.13461 0.04358 79 4YZ 0.02814 -0.01153 -0.14874 0.02486 0.02479 80 8 H 1S 0.09940 0.01253 -0.08137 -0.07099 0.08951 81 2S -0.18668 -0.17305 0.01694 0.20817 -0.13699 82 9 H 1S 0.09950 0.01254 -0.08136 -0.07082 -0.08968 83 2S -0.18711 -0.17313 0.01695 0.20792 0.13736 84 10 C 1S -0.19909 0.26091 -0.08459 -0.04566 0.23400 85 2S 1.36050 -1.42313 0.52569 0.31152 -1.43975 86 2PX -0.01081 0.10546 -0.01640 0.01666 0.05132 87 2PY 0.05854 -0.05466 0.03042 -0.00811 0.17046 88 2PZ 0.00892 0.06995 0.00808 0.04121 0.01016 89 3S 0.35559 -1.12998 0.30803 -0.08000 -0.43247 90 3PX -0.04335 -0.24743 0.00219 -0.07947 0.22244 91 3PY -0.02116 0.03250 -0.08942 0.01378 -0.12386 92 3PZ -0.07028 -0.16176 -0.04675 -0.08690 0.35800 93 4XX -0.78736 1.01441 -0.31977 -0.15160 0.89751 94 4YY -0.73426 0.88729 -0.30690 -0.16467 1.13761 95 4ZZ -0.78838 1.02350 -0.33936 -0.17409 0.89923 96 4XY 0.00318 -0.02562 0.00046 -0.02790 -0.02961 97 4XZ -0.01742 0.02810 -0.01100 0.00841 0.00805 98 4YZ -0.00182 -0.03113 -0.00868 -0.04187 0.00219 99 11 C 1S -0.19906 0.26088 -0.08455 -0.04514 -0.23416 100 2S 1.35995 -1.42298 0.52541 0.30837 1.44077 101 2PX -0.01079 0.10548 -0.01640 0.01677 -0.05131 102 2PY -0.05858 0.05466 -0.03045 0.00773 0.17045 103 2PZ 0.00894 0.06997 0.00807 0.04123 -0.01009 104 3S 0.35715 -1.12968 0.30778 -0.08148 0.43266 105 3PX -0.04272 -0.24737 0.00222 -0.07917 -0.22254 106 3PY 0.02043 -0.03259 0.08961 -0.01332 -0.12379 107 3PZ -0.06975 -0.16170 -0.04672 -0.08633 -0.35814 108 4XX -0.78713 1.01431 -0.31959 -0.14961 -0.89812 109 4YY -0.73391 0.88716 -0.30669 -0.16219 -1.13819 110 4ZZ -0.78822 1.02339 -0.33918 -0.17210 -0.89987 111 4XY -0.00314 0.02560 -0.00045 0.02796 -0.02962 112 4XZ -0.01733 0.02813 -0.01100 0.00844 -0.00806 113 4YZ 0.00188 0.03113 0.00868 0.04187 0.00222 114 12 C 1S -0.10992 -0.06753 -0.02795 -0.12690 -0.19393 115 2S 0.69644 0.34317 0.06209 0.55790 0.67765 116 2PX -0.05138 0.09099 -0.03156 -0.00714 -0.09424 117 2PY -0.04692 0.05454 -0.00658 0.02414 0.04398 118 2PZ -0.00558 0.10238 -0.00153 0.01742 -0.02710 119 3S 0.23697 0.50314 0.05704 0.67873 1.49682 120 3PX -0.03904 -0.16179 0.10921 0.07511 -0.08008 121 3PY -0.00451 -0.15503 -0.10798 -0.10165 -0.70497 122 3PZ -0.03961 -0.19926 0.06670 -0.13909 0.01765 123 4XX -0.38383 -0.31965 -0.04957 -0.40153 -0.61337 124 4YY -0.43511 -0.27963 -0.10317 -0.49435 -0.60552 125 4ZZ -0.33234 -0.22113 -0.01346 -0.40598 -0.54964 126 4XY 0.03496 -0.07465 -0.01681 -0.03148 0.05349 127 4XZ 0.07324 -0.04744 0.02946 -0.03631 0.13771 128 4YZ -0.00687 -0.09564 -0.01765 -0.00658 0.01177 129 13 C 1S -0.14562 -0.21558 -0.11472 -0.13161 -0.11928 130 2S 0.90776 1.08854 0.64735 0.60457 0.82062 131 2PX -0.00342 0.01852 -0.01040 -0.04724 -0.01359 132 2PY -0.02242 -0.00013 -0.01533 0.01487 0.03981 133 2PZ -0.01944 0.03380 0.03516 0.03758 0.02211 134 3S 0.48782 0.94715 0.35311 0.53385 -0.07820 135 3PX 0.01738 -0.02345 0.07094 0.18547 0.21865 136 3PY 0.06759 0.06730 0.01878 0.02661 0.13382 137 3PZ 0.08566 -0.04611 0.02141 -0.07471 0.30245 138 4XX -0.57847 -0.82332 -0.44156 -0.48386 -0.48388 139 4YY -0.50049 -0.70372 -0.39420 -0.42601 -0.56276 140 4ZZ -0.56877 -0.80155 -0.46373 -0.45523 -0.46957 141 4XY -0.00709 0.00233 0.00011 0.00632 -0.01884 142 4XZ 0.00280 0.01462 -0.01214 0.01366 0.02761 143 4YZ -0.01477 -0.01444 -0.00121 -0.04837 -0.03775 144 14 C 1S -0.14560 -0.21556 -0.11470 -0.13176 0.11898 145 2S 0.90785 1.08851 0.64712 0.60557 -0.81920 146 2PX -0.00338 0.01852 -0.01041 -0.04728 0.01352 147 2PY 0.02245 0.00014 0.01533 -0.01494 0.03979 148 2PZ -0.01940 0.03380 0.03516 0.03762 -0.02202 149 3S 0.48684 0.94683 0.35322 0.53352 0.07952 150 3PX 0.01735 -0.02328 0.07107 0.18602 -0.21844 151 3PY -0.06779 -0.06739 -0.01883 -0.02678 0.13382 152 3PZ 0.08621 -0.04597 0.02123 -0.07443 -0.30258 153 4XX -0.57842 -0.82323 -0.44146 -0.48444 0.48276 154 4YY -0.50051 -0.70364 -0.39409 -0.42672 0.56180 155 4ZZ -0.56882 -0.80153 -0.46360 -0.45579 0.46848 156 4XY 0.00710 -0.00234 -0.00012 -0.00628 -0.01888 157 4XZ 0.00274 0.01460 -0.01212 0.01375 -0.02759 158 4YZ 0.01476 0.01446 0.00124 0.04845 -0.03765 159 15 C 1S -0.10990 -0.06746 -0.02800 -0.12728 0.19375 160 2S 0.69587 0.34276 0.06238 0.55937 -0.67701 161 2PX -0.05144 0.09098 -0.03157 -0.00735 0.09421 162 2PY 0.04693 -0.05455 0.00657 -0.02422 0.04395 163 2PZ -0.00562 0.10238 -0.00154 0.01733 0.02713 164 3S 0.23836 0.50311 0.05709 0.68130 -1.49599 165 3PX -0.03886 -0.16177 0.10911 0.07492 0.08011 166 3PY 0.00541 0.15518 0.10791 0.10279 -0.70485 167 3PZ -0.03936 -0.19912 0.06658 -0.13903 -0.01809 168 4XX -0.38358 -0.31936 -0.04973 -0.40276 0.61292 169 4YY -0.43492 -0.27943 -0.10335 -0.49560 0.60481 170 4ZZ -0.33212 -0.22084 -0.01365 -0.40714 0.54919 171 4XY -0.03499 0.07468 0.01678 0.03136 0.05355 172 4XZ 0.07336 -0.04739 0.02947 -0.03603 -0.13775 173 4YZ 0.00684 0.09565 0.01760 0.00650 0.01181 174 16 H 1S 0.08719 -0.09945 0.02932 0.04037 -0.06152 175 2S -0.18592 0.14599 -0.12019 -0.09075 0.28236 176 17 H 1S 0.08720 -0.09943 0.02930 0.04022 0.06162 177 2S -0.18563 0.14601 -0.12017 -0.09021 -0.28258 178 18 H 1S 0.06190 0.03236 0.03185 0.04760 0.07626 179 2S -0.09589 -0.01857 0.01566 -0.11210 0.06920 180 19 H 1S 0.06187 0.06902 0.03399 0.02826 0.03718 181 2S -0.18192 -0.21807 -0.14852 -0.26735 -0.21430 182 20 H 1S 0.06201 0.06903 0.03395 0.02827 -0.03714 183 2S -0.18207 -0.21820 -0.14857 -0.26771 0.21382 184 21 H 1S 0.06190 0.03234 0.03188 0.04775 -0.07618 185 2S -0.09564 -0.01850 0.01561 -0.11205 -0.06937 186 22 H 1S 0.05451 0.05963 0.04197 0.05713 0.08186 187 2S -0.17669 -0.22842 -0.07688 -0.01549 -0.14866 188 23 H 1S 0.05446 0.05966 0.04198 0.05730 -0.08173 189 2S -0.17678 -0.22839 -0.07682 -0.01561 0.14854 186 187 188 189 V V V V Eigenvalues -- 4.44858 4.48935 4.64966 4.87452 1 1 C 1S 0.00626 -0.17829 -0.24163 -0.21136 2 2S 0.16556 0.98127 0.91679 0.15201 3 2PX -0.00816 -0.01937 0.00520 0.08700 4 2PY -0.00341 -0.09664 -0.10306 -0.04912 5 2PZ -0.01512 -0.02678 -0.11078 -0.04975 6 3S -0.34531 1.01608 3.28330 5.19209 7 3PX 0.09549 -0.41257 0.36043 0.33788 8 3PY 0.12763 0.07952 1.05943 1.23578 9 3PZ -0.04673 -0.34425 0.93882 1.67730 10 4XX -0.07594 -0.72275 -0.85740 -0.48358 11 4YY -0.01763 -0.85047 -0.97516 -0.67532 12 4ZZ -0.02183 -0.68671 -0.83968 -0.56735 13 4XY -0.01691 0.02066 -0.00859 -0.00885 14 4XZ 0.01701 -0.07020 0.00944 0.01515 15 4YZ 0.00894 0.04283 0.04804 0.04246 16 2 O 1S 0.02247 0.02131 0.07046 0.15858 17 2S 0.01409 -0.04382 0.12989 0.41043 18 2PX 0.00745 -0.03175 -0.02759 -0.06404 19 2PY 0.01810 0.02827 0.03199 0.06994 20 2PZ 0.01785 -0.00969 -0.01485 -0.00946 21 3S -0.30175 -0.07638 -1.41390 -3.01496 22 3PX -0.05702 -0.15152 0.21137 0.68386 23 3PY -0.08097 0.00407 -0.18133 -0.45750 24 3PZ -0.09225 -0.14389 0.03790 0.20503 25 4XX 0.09223 0.15358 0.24683 0.44277 26 4YY 0.09750 0.07909 0.24804 0.51739 27 4ZZ 0.06835 0.10318 0.25742 0.55335 28 4XY 0.02037 -0.06394 -0.02901 0.03263 29 4XZ 0.02576 0.09100 0.09143 -0.00221 30 4YZ 0.01581 -0.05792 -0.02231 -0.00449 31 3 C 1S -0.08866 0.00003 0.00001 -0.00001 32 2S 0.39757 -0.00018 -0.00002 0.00001 33 2PX 0.04051 -0.00001 -0.00001 0.00001 34 2PY -0.00001 -0.01241 -0.02389 -0.07391 35 2PZ -0.00769 0.00000 -0.00001 0.00000 36 3S 0.79401 -0.00030 0.00007 0.00012 37 3PX -0.21554 0.00005 0.00001 -0.00005 38 3PY -0.00003 -0.15142 -0.07404 -0.10264 39 3PZ 0.06605 -0.00004 -0.00002 0.00000 40 4XX -0.33213 0.00013 0.00002 -0.00002 41 4YY -0.33352 0.00013 0.00003 -0.00003 42 4ZZ -0.31773 0.00012 0.00002 -0.00005 43 4XY 0.00000 0.01475 -0.01885 0.00689 44 4XZ 0.00226 0.00001 -0.00001 0.00001 45 4YZ 0.00000 -0.00054 -0.02228 -0.04361 46 4 C 1S 0.00638 0.17840 0.24159 0.21141 47 2S 0.16502 -0.98181 -0.91668 -0.15206 48 2PX -0.00811 0.01936 -0.00520 -0.08698 49 2PY 0.00336 -0.09664 -0.10305 -0.04917 50 2PZ -0.01510 0.02680 0.11073 0.04976 51 3S -0.34604 -1.01645 -3.28307 -5.19252 52 3PX 0.09588 0.41257 -0.36037 -0.33781 53 3PY -0.12752 0.07951 1.05951 1.23619 54 3PZ -0.04656 0.34419 -0.93843 -1.67723 55 4XX -0.07551 0.72318 0.85726 0.48368 56 4YY -0.01712 0.85080 0.97504 0.67542 57 4ZZ -0.02142 0.68713 0.83956 0.56750 58 4XY 0.01693 0.02066 -0.00859 -0.00884 59 4XZ 0.01707 0.07022 -0.00944 -0.01513 60 4YZ -0.00892 0.04288 0.04808 0.04247 61 5 H 1S -0.02611 0.00001 -0.00001 -0.00001 62 2S -0.23888 0.00009 -0.00002 -0.00005 63 6 H 1S 0.02022 0.00000 -0.00001 0.00000 64 2S -0.02663 0.00003 -0.00001 0.00001 65 7 O 1S 0.02249 -0.02135 -0.07043 -0.15857 66 2S 0.01417 0.04377 -0.12982 -0.41045 67 2PX 0.00745 0.03177 0.02758 0.06403 68 2PY -0.01810 0.02829 0.03197 0.06995 69 2PZ 0.01785 0.00969 0.01486 0.00949 70 3S -0.30210 0.07701 1.41338 3.01498 71 3PX -0.05687 0.15150 -0.21133 -0.68387 72 3PY 0.08105 0.00396 -0.18121 -0.45753 73 3PZ -0.09210 0.14397 -0.03798 -0.20517 74 4XX 0.09223 -0.15376 -0.24670 -0.44275 75 4YY 0.09756 -0.07923 -0.24794 -0.51733 76 4ZZ 0.06840 -0.10337 -0.25730 -0.55335 77 4XY -0.02042 -0.06393 -0.02899 0.03263 78 4XZ 0.02567 -0.09107 -0.09142 0.00222 79 4YZ -0.01585 -0.05792 -0.02230 -0.00449 80 8 H 1S 0.03107 0.03381 -0.07910 0.01535 81 2S 0.07592 0.31713 -0.14413 -0.19381 82 9 H 1S 0.03105 -0.03385 0.07913 -0.01538 83 2S 0.07574 -0.31709 0.14418 0.19382 84 10 C 1S 0.04291 0.24212 0.03739 -0.11025 85 2S -0.21275 -1.19000 -0.30005 0.33663 86 2PX 0.09760 0.08941 0.01816 -0.05853 87 2PY -0.08015 0.11209 0.02022 0.02657 88 2PZ 0.08308 0.06551 0.01300 -0.07668 89 3S -0.59625 -2.23729 -0.13892 3.99626 90 3PX -0.15499 -0.42203 0.08787 1.25071 91 3PY 0.05335 -0.47935 0.09221 0.81449 92 3PZ -0.11886 -0.33623 0.07147 1.24695 93 4XX 0.21948 0.88210 0.17580 -0.40031 94 4YY 0.18411 1.09631 0.25495 -0.47322 95 4ZZ 0.22504 0.90343 0.16790 -0.40663 96 4XY -0.10515 -0.05591 -0.05225 0.12982 97 4XZ 0.07638 0.02437 0.04120 -0.07578 98 4YZ -0.07637 -0.05260 0.00127 0.11043 99 11 C 1S 0.04269 -0.24219 -0.03737 0.11021 100 2S -0.21161 1.19031 0.30001 -0.33649 101 2PX 0.09755 -0.08946 -0.01816 0.05851 102 2PY 0.08024 0.11207 0.02021 0.02656 103 2PZ 0.08307 -0.06555 -0.01301 0.07665 104 3S -0.59462 2.23781 0.13889 -3.99622 105 3PX -0.15479 0.42209 -0.08788 -1.25051 106 3PY -0.05369 -0.47947 0.09228 0.81478 107 3PZ -0.11873 0.33629 -0.07152 -1.24673 108 4XX 0.21871 -0.88240 -0.17577 0.40021 109 4YY 0.18305 -1.09654 -0.25490 0.47302 110 4ZZ 0.22426 -0.90373 -0.16788 0.40653 111 4XY 0.10508 -0.05601 -0.05227 0.12983 112 4XZ 0.07640 -0.02443 -0.04123 0.07582 113 4YZ 0.07632 -0.05266 0.00125 0.11044 114 12 C 1S -0.31021 0.01777 0.06333 -0.39729 115 2S 1.68115 -0.20939 -0.63561 0.86927 116 2PX 0.01695 -0.06182 -0.02303 -0.03924 117 2PY 0.09742 -0.04329 -0.02359 0.23822 118 2PZ 0.00164 -0.06096 -0.02872 0.00259 119 3S 2.08473 -0.18194 -0.58318 5.57606 120 3PX 0.10561 0.23124 0.07556 0.02212 121 3PY -0.20669 0.16632 0.01745 -2.17160 122 3PZ 0.09642 0.15236 -0.18172 0.16651 123 4XX -1.20504 0.20787 0.35238 -1.24837 124 4YY -1.18913 0.11263 0.29740 -1.23878 125 4ZZ -1.30360 0.06129 0.44337 -1.26342 126 4XY -0.03522 0.04980 -0.04074 -0.05449 127 4XZ -0.10803 0.04980 0.03871 -0.08153 128 4YZ 0.01147 0.09008 -0.02059 -0.02979 129 13 C 1S 0.16802 0.21047 -0.29789 0.02103 130 2S -0.86774 -1.00738 1.24069 -0.07127 131 2PX -0.01012 -0.02444 -0.02140 -0.03681 132 2PY 0.02351 -0.03248 0.02922 0.01343 133 2PZ -0.07698 -0.03355 0.10518 0.09486 134 3S -1.27610 -1.69211 2.92584 -2.19377 135 3PX 0.00801 0.11101 0.25115 0.69988 136 3PY -0.12527 0.16539 -0.45993 0.12980 137 3PZ 0.23333 0.09175 -0.38997 0.65236 138 4XX 0.64217 0.75597 -1.00218 0.04238 139 4YY 0.57665 0.86651 -1.18723 0.08413 140 4ZZ 0.75199 0.74087 -1.07427 0.10625 141 4XY -0.02899 -0.02892 0.00100 -0.03452 142 4XZ 0.05155 -0.00090 -0.01518 0.05016 143 4YZ -0.09803 -0.01048 0.07549 -0.09364 144 14 C 1S 0.16796 -0.21062 0.29790 -0.02102 145 2S -0.86743 1.00812 -1.24071 0.07124 146 2PX -0.01012 0.02443 0.02139 0.03682 147 2PY -0.02349 -0.03248 0.02925 0.01345 148 2PZ -0.07698 0.03359 -0.10518 -0.09488 149 3S -1.27546 1.69323 -2.92598 2.19365 150 3PX 0.00798 -0.11092 -0.25117 -0.70018 151 3PY 0.12519 0.16529 -0.46004 0.12995 152 3PZ 0.23329 -0.09189 0.39000 -0.65218 153 4XX 0.64196 -0.75655 1.00222 -0.04235 154 4YY 0.57633 -0.86702 1.18726 -0.08406 155 4ZZ 0.75176 -0.74151 1.07434 -0.10622 156 4XY 0.02899 -0.02894 0.00100 -0.03455 157 4XZ 0.05160 0.00087 0.01519 -0.05014 158 4YZ 0.09797 -0.01056 0.07548 -0.09365 159 15 C 1S -0.31016 -0.01761 -0.06328 0.39729 160 2S 1.68113 0.20847 0.63533 -0.86942 161 2PX 0.01700 0.06180 0.02305 0.03931 162 2PY -0.09744 -0.04325 -0.02358 0.23824 163 2PZ 0.00166 0.06095 0.02870 -0.00256 164 3S 2.08441 0.18071 0.58304 -5.57577 165 3PX 0.10545 -0.23122 -0.07556 -0.02244 166 3PY 0.20670 0.16623 0.01751 -2.17167 167 3PZ 0.09640 -0.15249 0.18175 -0.16700 168 4XX -1.20500 -0.20718 -0.35218 1.24847 169 4YY -1.18903 -0.11206 -0.29716 1.23880 170 4ZZ -1.30349 -0.06054 -0.44316 1.26343 171 4XY 0.03526 0.04980 -0.04074 -0.05453 172 4XZ -0.10811 -0.04970 -0.03874 0.08149 173 4YZ -0.01137 0.09008 -0.02054 -0.02982 174 16 H 1S 0.00534 -0.07285 -0.00564 0.04273 175 2S 0.02413 0.06610 0.11383 0.30480 176 17 H 1S 0.00540 0.07287 0.00563 -0.04269 177 2S 0.02402 -0.06613 -0.11386 -0.30476 178 18 H 1S 0.05466 -0.03351 -0.00483 0.08319 179 2S -0.29992 -0.04589 0.07291 0.13426 180 19 H 1S -0.01869 -0.00392 -0.06363 0.04792 181 2S 0.21776 0.17492 -0.41157 -0.18187 182 20 H 1S -0.01871 0.00393 0.06364 -0.04796 183 2S 0.21772 -0.17522 0.41167 0.18205 184 21 H 1S 0.05468 0.03348 0.00481 -0.08322 185 2S -0.29985 0.04604 -0.07281 -0.13434 186 22 H 1S -0.01390 0.00438 0.00311 0.14581 187 2S 0.13799 0.27340 -0.14866 0.16919 188 23 H 1S -0.01389 -0.00434 -0.00314 -0.14580 189 2S 0.13785 -0.27349 0.14861 -0.16925 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 0.04016 0.43069 5 2PZ 0.01511 -0.02721 -0.02221 0.02891 0.37882 6 3S -0.17203 0.27247 -0.09834 -0.01737 -0.02415 7 3PX 0.01878 -0.03666 0.16687 0.03759 -0.08371 8 3PY -0.00736 0.00397 0.05104 0.12294 -0.01636 9 3PZ 0.00255 -0.01649 -0.08141 -0.01244 0.16318 10 4XX -0.01177 -0.01308 0.01164 -0.00701 0.01131 11 4YY -0.01725 -0.00102 -0.00623 0.01259 -0.00557 12 4ZZ -0.01571 -0.00410 -0.00185 -0.01309 -0.00482 13 4XY -0.00020 0.00034 -0.00113 0.00496 -0.01134 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 O 1S 0.00537 -0.00687 -0.02953 0.00841 -0.02341 17 2S -0.00988 0.01073 0.06594 -0.03095 0.05396 18 2PX 0.05683 -0.12361 -0.16693 0.10827 -0.18560 19 2PY -0.02548 0.05165 0.09863 -0.03173 0.06630 20 2PZ 0.03477 -0.06519 -0.17835 0.07011 -0.08071 21 3S 0.01404 -0.02641 0.06860 0.04043 0.04689 22 3PX 0.02658 -0.06226 -0.10154 0.05729 -0.09088 23 3PY -0.01946 0.03878 0.07145 -0.02507 0.04914 24 3PZ 0.01512 -0.02655 -0.08265 0.04075 -0.05658 25 4XX -0.00369 0.00605 -0.00641 -0.00823 0.00739 26 4YY -0.00126 0.00120 0.00465 -0.00050 0.00290 27 4ZZ -0.00089 0.00060 0.00146 -0.00487 -0.00969 28 4XY 0.00464 -0.00907 -0.00889 -0.00340 -0.01056 29 4XZ -0.00489 0.00780 0.00431 -0.00310 -0.00128 30 4YZ 0.00277 -0.00504 -0.01130 -0.00410 -0.00184 31 3 C 1S -0.00316 0.00630 0.00913 0.01013 0.00381 32 2S 0.00672 -0.01756 -0.02191 -0.03218 -0.01022 33 2PX -0.01114 0.02806 0.02079 0.01614 0.02271 34 2PY -0.00217 0.00474 0.03532 -0.02090 0.03814 35 2PZ -0.00867 0.02121 0.03432 0.02129 0.00271 36 3S 0.00988 -0.01226 -0.04432 -0.05396 -0.00800 37 3PX -0.00779 0.01317 0.01209 0.01700 0.01129 38 3PY -0.00139 0.00393 0.03155 -0.00044 0.03294 39 3PZ -0.00626 0.01180 0.03283 0.02178 -0.00870 40 4XX -0.00162 0.00400 0.00735 -0.00167 0.00611 41 4YY 0.00217 -0.00464 -0.00888 0.00517 -0.00718 42 4ZZ -0.00094 0.00176 0.00479 -0.00206 0.00340 43 4XY -0.00103 0.00239 0.00015 0.00067 0.00422 44 4XZ -0.00005 0.00046 0.00444 0.00026 0.00260 45 4YZ 0.00000 -0.00012 0.00418 0.00250 -0.00145 46 4 C 1S 0.01947 -0.04084 0.01341 -0.08014 -0.01091 47 2S -0.04084 0.07592 -0.02567 0.16580 0.01983 48 2PX 0.01341 -0.02567 0.16094 0.01946 -0.09938 49 2PY 0.08014 -0.16581 -0.01944 -0.32465 0.03382 50 2PZ -0.01089 0.01979 -0.09938 -0.03391 0.11879 51 3S 0.00180 0.02807 -0.06626 0.12944 0.07407 52 3PX 0.00344 -0.00368 0.09438 0.01941 -0.05076 53 3PY 0.00105 -0.01886 -0.02432 -0.10079 0.02186 54 3PZ -0.00661 0.01818 -0.06395 -0.03852 0.08164 55 4XX 0.00325 -0.00759 -0.00048 -0.01313 -0.00040 56 4YY -0.00653 0.01193 0.00092 0.00799 0.00075 57 4ZZ 0.00346 -0.00793 0.00233 -0.01007 -0.00380 58 4XY -0.00007 0.00037 -0.01259 -0.00563 0.00419 59 4XZ 0.00133 -0.00307 0.00017 -0.00448 -0.00034 60 4YZ -0.00081 0.00171 0.00512 -0.00037 -0.01435 61 5 H 1S -0.00289 0.00540 0.00914 -0.00538 0.00811 62 2S -0.00328 0.00505 -0.00170 -0.00261 0.02479 63 6 H 1S -0.00481 0.01265 0.02127 -0.00579 0.01276 64 2S -0.00437 0.01311 0.04174 0.00554 0.00479 65 7 O 1S -0.00177 0.00495 0.00446 0.00162 0.00858 66 2S 0.00716 -0.01548 -0.01396 -0.01727 -0.01590 67 2PX -0.01256 0.02727 -0.07077 0.03230 0.04712 68 2PY -0.02271 0.05458 0.02755 0.05833 0.01347 69 2PZ 0.00199 -0.00189 0.04870 0.05124 -0.05767 70 3S -0.00338 -0.00398 -0.01642 0.03057 -0.06696 71 3PX -0.00941 0.02046 -0.05944 0.01727 0.04763 72 3PY -0.01410 0.03728 0.01911 0.03996 0.01437 73 3PZ 0.00235 -0.00387 0.04773 0.04116 -0.05145 74 4XX 0.00027 0.00014 -0.00368 -0.00416 0.00503 75 4YY 0.00139 -0.00234 -0.00091 -0.00258 0.00125 76 4ZZ 0.00102 -0.00120 0.00256 -0.00250 -0.00056 77 4XY -0.00070 0.00154 0.00302 0.00608 -0.00086 78 4XZ -0.00006 0.00020 0.00117 0.00136 0.00027 79 4YZ -0.00092 0.00213 0.00170 0.00473 0.00040 80 8 H 1S 0.01654 -0.03648 0.00832 -0.04030 0.00080 81 2S 0.02040 -0.04063 0.02370 -0.06419 0.00812 82 9 H 1S -0.06820 0.13566 -0.06571 -0.16920 -0.19078 83 2S -0.02048 0.04651 -0.03958 -0.13844 -0.15451 84 10 C 1S -0.00178 0.00265 -0.00503 -0.00170 0.00224 85 2S 0.00269 -0.00452 0.01912 0.00504 -0.00609 86 2PX 0.00919 -0.02100 0.03137 0.01827 -0.00582 87 2PY 0.00007 0.00007 0.00231 0.00155 -0.00213 88 2PZ -0.00379 0.01060 -0.00562 -0.01159 -0.00874 89 3S 0.00660 -0.01526 -0.01134 0.00914 -0.00463 90 3PX 0.00950 -0.02240 0.02165 0.01859 -0.01002 91 3PY -0.00149 0.00030 -0.01372 -0.00229 0.00721 92 3PZ -0.00354 0.00661 -0.02091 -0.01558 0.00057 93 4XX -0.00071 0.00088 -0.00527 -0.00107 0.00439 94 4YY 0.00004 -0.00016 0.00263 0.00085 -0.00130 95 4ZZ -0.00029 0.00024 0.00290 0.00015 -0.00243 96 4XY 0.00017 -0.00053 0.00297 0.00044 -0.00268 97 4XZ 0.00039 -0.00088 0.00048 0.00018 0.00039 98 4YZ -0.00066 0.00094 -0.00435 -0.00114 0.00363 99 11 C 1S -0.00069 0.00058 -0.00297 0.00009 0.00128 100 2S 0.00137 -0.00173 0.00820 0.00136 -0.00391 101 2PX 0.01089 -0.02273 0.07781 0.01163 -0.05907 102 2PY -0.00262 0.00401 -0.01577 -0.00430 0.01022 103 2PZ -0.00738 0.01701 -0.05630 -0.01177 0.04329 104 3S 0.00207 0.00404 0.03492 0.00094 -0.02184 105 3PX 0.00807 -0.01433 0.07600 0.01106 -0.05769 106 3PY -0.00240 0.00315 -0.02115 0.00159 0.01045 107 3PZ -0.00513 0.01321 -0.03845 -0.01329 0.03310 108 4XX -0.00017 0.00011 -0.00104 -0.00105 0.00011 109 4YY -0.00007 0.00011 0.00086 0.00089 -0.00024 110 4ZZ -0.00009 0.00012 0.00078 0.00044 -0.00055 111 4XY -0.00015 0.00040 -0.00032 -0.00083 -0.00062 112 4XZ 0.00014 -0.00022 0.00094 -0.00027 -0.00048 113 4YZ 0.00012 -0.00031 0.00042 0.00109 0.00030 114 12 C 1S -0.00096 0.00309 -0.00602 0.00166 0.00543 115 2S 0.00324 -0.00397 0.01970 -0.00257 -0.01608 116 2PX 0.00345 -0.00801 0.00550 -0.02186 -0.01141 117 2PY -0.00441 0.00651 -0.00668 0.01611 0.00646 118 2PZ -0.00066 0.00422 -0.00167 0.01217 0.00573 119 3S -0.00040 -0.00631 -0.01557 -0.00887 0.00404 120 3PX 0.00317 -0.00581 0.01646 -0.01834 -0.02242 121 3PY 0.00096 0.00158 0.02125 0.00077 -0.01484 122 3PZ -0.00133 0.00434 -0.00020 0.01981 -0.00081 123 4XX -0.00050 0.00121 -0.00642 -0.00219 0.00551 124 4YY -0.00011 0.00040 0.00097 0.00126 -0.00060 125 4ZZ 0.00057 -0.00090 0.00319 0.00002 -0.00255 126 4XY 0.00027 -0.00041 0.00142 -0.00056 -0.00099 127 4XZ 0.00026 -0.00034 0.00302 0.00109 -0.00228 128 4YZ -0.00015 0.00011 -0.00055 0.00046 0.00052 129 13 C 1S -0.00135 0.00251 -0.00749 -0.00026 0.00676 130 2S 0.00331 -0.00446 0.01643 0.00226 -0.01383 131 2PX 0.00010 -0.00034 -0.00554 -0.00294 0.00340 132 2PY -0.00131 0.00181 -0.00835 -0.00295 0.00670 133 2PZ -0.00447 0.00621 -0.02317 0.00041 0.01780 134 3S 0.00485 -0.00904 0.04193 -0.00884 -0.03614 135 3PX -0.00199 0.00102 -0.01623 -0.00246 0.00601 136 3PY 0.00085 -0.00100 -0.00750 -0.00146 0.01048 137 3PZ -0.00127 0.00195 -0.01814 0.00012 0.01476 138 4XX -0.00017 0.00043 -0.00142 0.00011 0.00137 139 4YY 0.00005 -0.00014 0.00112 0.00098 -0.00090 140 4ZZ 0.00010 -0.00004 -0.00045 -0.00111 0.00048 141 4XY 0.00010 0.00004 -0.00026 -0.00047 0.00017 142 4XZ 0.00018 -0.00024 0.00165 0.00062 -0.00135 143 4YZ -0.00019 -0.00007 -0.00050 -0.00021 0.00023 144 14 C 1S -0.00160 0.00232 -0.00601 -0.00138 0.00522 145 2S 0.00237 -0.00724 0.01600 0.00411 -0.01807 146 2PX 0.00275 -0.00839 0.01449 0.00285 -0.01389 147 2PY 0.00037 0.00112 0.00147 0.00184 0.00169 148 2PZ -0.00219 0.01167 -0.01969 -0.00129 0.01864 149 3S 0.00255 -0.00748 0.01136 -0.00172 -0.00087 150 3PX 0.00447 -0.00430 0.01167 0.00523 0.00415 151 3PY 0.00152 0.00070 -0.00823 0.00236 0.00977 152 3PZ -0.00311 0.00600 -0.00175 0.00096 0.00680 153 4XX -0.00041 0.00046 0.00106 -0.00006 -0.00135 154 4YY 0.00002 -0.00044 0.00241 0.00090 -0.00246 155 4ZZ -0.00071 0.00039 -0.00460 -0.00118 0.00367 156 4XY -0.00011 0.00043 -0.00026 0.00006 0.00017 157 4XZ 0.00080 -0.00161 0.00571 0.00109 -0.00603 158 4YZ 0.00005 -0.00026 0.00064 0.00024 -0.00063 159 15 C 1S -0.00195 0.00085 0.00438 -0.00057 -0.00771 160 2S 0.00260 -0.01172 -0.00253 0.00518 0.01090 161 2PX -0.00843 0.01025 -0.10006 -0.02520 0.08812 162 2PY -0.00428 0.00287 -0.03473 -0.01766 0.02311 163 2PZ 0.00244 -0.00673 0.05650 0.00963 -0.05946 164 3S 0.00479 0.00189 -0.00879 -0.00297 0.03432 165 3PX 0.00166 -0.00231 -0.06593 -0.01542 0.06243 166 3PY -0.00191 0.00685 -0.01520 -0.00272 0.01958 167 3PZ 0.00396 -0.00721 0.05403 0.01961 -0.05024 168 4XX -0.00149 0.00264 -0.00496 -0.00346 0.00291 169 4YY 0.00012 -0.00134 0.00229 0.00230 -0.00079 170 4ZZ -0.00031 -0.00051 0.00005 -0.00012 -0.00138 171 4XY -0.00016 0.00064 -0.00256 0.00041 0.00185 172 4XZ 0.00082 -0.00233 0.00541 0.00262 -0.00200 173 4YZ 0.00007 -0.00042 0.00117 -0.00042 -0.00099 174 16 H 1S -0.00015 -0.00040 -0.00505 -0.00069 0.00682 175 2S -0.00151 0.00010 -0.01516 -0.00607 0.00957 176 17 H 1S -0.00005 -0.00019 0.00044 -0.00075 -0.00028 177 2S 0.00058 -0.00103 0.00607 -0.00444 -0.00384 178 18 H 1S -0.00154 0.00206 0.00479 0.00970 -0.00401 179 2S -0.00261 0.00376 -0.00464 0.01643 0.00638 180 19 H 1S 0.00009 0.00017 -0.00264 -0.00031 0.00231 181 2S -0.00157 0.00337 0.00526 0.00814 -0.00187 182 20 H 1S 0.00211 -0.00548 0.01758 0.00282 -0.01903 183 2S 0.00287 -0.00627 0.01630 0.00555 -0.03807 184 21 H 1S 0.00408 -0.00633 0.01726 0.01446 -0.00486 185 2S 0.00291 -0.00296 0.02258 0.01731 -0.01181 186 22 H 1S -0.00124 0.00104 -0.00605 -0.00206 0.00384 187 2S -0.00321 0.00341 -0.02198 -0.00740 0.01342 188 23 H 1S -0.00263 0.00805 -0.02530 -0.00457 0.02413 189 2S -0.00281 0.01140 -0.05155 -0.00982 0.05074 6 7 8 9 10 6 3S 0.30238 7 3PX -0.06511 0.10752 8 3PY 0.00109 0.03278 0.05313 9 3PZ 0.01250 -0.06593 -0.02382 0.09326 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 O 1S 0.03365 0.00189 0.00926 0.00881 -0.00408 17 2S -0.08565 -0.00925 -0.02010 -0.02161 0.01019 18 2PX -0.03605 -0.02843 0.01432 -0.03341 0.00967 19 2PY 0.06384 -0.00553 0.04340 0.00081 0.01247 20 2PZ -0.07377 -0.06529 0.02437 -0.03147 -0.02966 21 3S -0.14501 -0.00221 -0.00576 -0.03622 0.00915 22 3PX -0.00386 -0.02098 0.00217 -0.00671 0.00838 23 3PY 0.04535 -0.00213 0.02759 0.00144 0.00827 24 3PZ -0.04401 -0.02602 0.01818 -0.02935 -0.02041 25 4XX 0.00707 -0.00484 -0.00343 0.00474 -0.00053 26 4YY 0.00255 0.00001 0.00238 0.00049 0.00073 27 4ZZ 0.00268 0.00309 -0.00096 -0.00347 -0.00006 28 4XY -0.00459 -0.00132 -0.00224 -0.00177 0.00044 29 4XZ 0.00512 0.00089 -0.00065 -0.00175 0.00015 30 4YZ -0.00392 -0.00492 -0.00177 0.00035 -0.00104 31 3 C 1S 0.00669 0.00601 0.00710 0.00104 -0.00035 32 2S -0.01117 -0.01084 -0.01566 0.00196 0.00108 33 2PX 0.04028 0.01474 0.00224 0.01112 -0.00362 34 2PY -0.01438 0.02862 -0.02780 0.02414 0.00023 35 2PZ 0.03383 0.02619 0.00358 -0.00501 -0.00250 36 3S 0.00698 -0.01789 -0.02482 0.01202 -0.00051 37 3PX 0.01714 0.00544 0.00311 0.00396 0.00005 38 3PY -0.00616 0.00958 -0.00234 0.00880 0.00246 39 3PZ 0.00195 0.02106 0.01080 -0.01370 -0.00320 40 4XX 0.00033 0.00299 0.00046 0.00146 -0.00073 41 4YY -0.00421 -0.00355 0.00211 -0.00332 -0.00023 42 4ZZ 0.00360 0.00141 -0.00190 0.00199 0.00112 43 4XY 0.00110 -0.00345 0.00190 -0.00079 -0.00018 44 4XZ -0.00244 0.00084 0.00049 0.00027 0.00044 45 4YZ 0.00005 0.00060 0.00299 -0.00241 0.00103 46 4 C 1S 0.00180 0.00344 -0.00105 -0.00661 0.00325 47 2S 0.02807 -0.00368 0.01885 0.01819 -0.00759 48 2PX -0.06625 0.09438 0.02433 -0.06394 -0.00048 49 2PY -0.12946 -0.01940 -0.10079 0.03849 0.01313 50 2PZ 0.07403 -0.05076 -0.02189 0.08165 -0.00040 51 3S -0.02100 -0.03377 -0.01285 0.04416 -0.00418 52 3PX -0.03376 0.04460 0.01943 -0.04240 -0.00003 53 3PY 0.01283 -0.01943 -0.02619 0.02097 0.00387 54 3PZ 0.04415 -0.04241 -0.02099 0.04847 0.00090 55 4XX -0.00418 -0.00003 -0.00386 0.00090 0.00057 56 4YY 0.01064 -0.00134 0.00339 -0.00132 -0.00034 57 4ZZ -0.00858 0.00231 -0.00223 -0.00162 0.00024 58 4XY 0.00612 -0.00720 -0.00241 0.00480 -0.00016 59 4XZ -0.00377 0.00085 -0.00203 0.00145 0.00000 60 4YZ 0.00373 0.00559 0.00309 -0.00723 -0.00047 61 5 H 1S 0.02075 0.00567 -0.00940 0.00564 0.00242 62 2S 0.03060 -0.00489 -0.01304 0.01770 0.00650 63 6 H 1S 0.00897 0.01226 -0.00076 0.00418 -0.00346 64 2S -0.00498 0.02404 0.00972 -0.00721 -0.00561 65 7 O 1S -0.01912 -0.00040 -0.00866 0.00034 0.00017 66 2S 0.03953 -0.00018 0.01381 0.00415 -0.00013 67 2PX 0.05189 -0.06279 -0.00293 0.01592 0.00181 68 2PY 0.11866 -0.01224 0.07006 -0.02565 0.00128 69 2PZ -0.02256 0.04580 0.04206 -0.04494 -0.00149 70 3S 0.06991 0.00818 0.04760 -0.02588 -0.00333 71 3PX 0.04012 -0.05124 -0.00649 0.02008 0.00099 72 3PY 0.07833 -0.00944 0.04593 -0.01463 0.00137 73 3PZ -0.02361 0.03962 0.03261 -0.03820 -0.00131 74 4XX 0.00129 -0.00203 -0.00205 0.00335 -0.00005 75 4YY -0.00668 -0.00009 -0.00370 0.00190 0.00012 76 4ZZ -0.00190 0.00056 -0.00107 -0.00081 0.00028 77 4XY -0.00119 0.00307 0.00152 -0.00019 -0.00034 78 4XZ -0.00024 0.00084 -0.00009 0.00043 -0.00007 79 4YZ 0.00089 0.00049 0.00056 0.00013 -0.00012 80 8 H 1S -0.06701 -0.00166 -0.02501 0.00188 0.00286 81 2S -0.06603 0.00133 -0.02217 -0.00048 0.00382 82 9 H 1S 0.13823 -0.01463 -0.04023 -0.06420 -0.01030 83 2S 0.05310 0.00285 -0.02942 -0.05323 -0.00710 84 10 C 1S 0.00362 -0.00660 -0.00256 0.00154 -0.00079 85 2S -0.01131 0.01009 0.00680 -0.01149 0.00083 86 2PX -0.05395 0.00585 0.01974 -0.02471 0.00598 87 2PY 0.00009 0.00333 -0.00114 -0.00222 0.00039 88 2PZ 0.02764 0.00107 -0.01112 -0.00967 -0.00412 89 3S -0.00266 -0.00190 0.00725 0.00412 -0.00147 90 3PX -0.04284 0.00789 0.01495 -0.01272 0.00315 91 3PY 0.01054 -0.00921 -0.00064 0.00996 0.00123 92 3PZ 0.02490 -0.00564 -0.01187 0.00643 -0.00385 93 4XX 0.00169 -0.00394 -0.00085 0.00308 0.00026 94 4YY -0.00170 0.00184 -0.00011 -0.00116 -0.00010 95 4ZZ 0.00040 0.00224 0.00089 -0.00129 -0.00022 96 4XY -0.00083 0.00266 0.00134 -0.00150 -0.00008 97 4XZ -0.00036 0.00043 0.00057 0.00028 0.00007 98 4YZ 0.00243 -0.00313 -0.00123 0.00358 0.00014 99 11 C 1S 0.00390 -0.00129 0.00151 0.00188 -0.00022 100 2S -0.00677 0.00638 -0.00182 -0.00093 0.00029 101 2PX -0.05255 0.05986 0.02888 -0.04678 0.00077 102 2PY 0.01290 -0.01205 -0.00199 0.01428 -0.00019 103 2PZ 0.03693 -0.04005 -0.02421 0.04464 0.00000 104 3S -0.01673 0.01874 -0.00029 -0.02371 -0.00099 105 3PX -0.04058 0.05288 0.02556 -0.04985 -0.00035 106 3PY 0.01633 -0.01493 0.00054 0.01447 0.00038 107 3PZ 0.02603 -0.03147 -0.01795 0.02776 0.00045 108 4XX 0.00024 0.00003 -0.00019 -0.00002 -0.00005 109 4YY 0.00068 0.00029 0.00078 -0.00031 0.00003 110 4ZZ -0.00088 0.00002 -0.00009 -0.00039 -0.00002 111 4XY 0.00199 0.00069 -0.00034 0.00057 -0.00023 112 4XZ -0.00100 0.00051 -0.00015 -0.00056 0.00002 113 4YZ -0.00082 -0.00006 0.00064 0.00063 0.00018 114 12 C 1S -0.00390 -0.00525 -0.00344 0.00095 -0.00015 115 2S -0.01547 0.01582 0.00096 -0.01385 0.00009 116 2PX -0.01235 0.01447 -0.00298 -0.02188 -0.00100 117 2PY 0.04107 -0.00809 0.01500 0.00945 -0.00029 118 2PZ -0.01991 -0.01702 -0.01066 -0.00461 0.00082 119 3S -0.00131 -0.00105 -0.00791 0.00824 0.00048 120 3PX -0.00672 0.01960 0.00146 -0.02260 -0.00095 121 3PY 0.00009 0.01035 0.00611 -0.01130 -0.00073 122 3PZ -0.00727 -0.00998 0.00096 -0.00260 0.00042 123 4XX 0.00314 -0.00457 -0.00247 0.00448 0.00002 124 4YY 0.00159 0.00070 0.00134 -0.00045 -0.00003 125 4ZZ -0.00306 0.00203 0.00063 -0.00256 -0.00003 126 4XY -0.00029 0.00087 0.00000 -0.00032 0.00001 127 4XZ -0.00172 0.00155 0.00055 -0.00176 -0.00002 128 4YZ 0.00055 -0.00013 0.00041 0.00045 0.00004 129 13 C 1S 0.00525 -0.00501 -0.00098 0.00473 0.00003 130 2S -0.02179 0.00780 -0.00160 -0.01516 0.00002 131 2PX -0.00053 -0.01195 -0.00919 0.00205 -0.00010 132 2PY 0.00379 -0.01242 -0.00419 0.00047 0.00020 133 2PZ 0.04389 -0.01016 0.00923 0.02307 -0.00037 134 3S -0.04201 0.02840 -0.00534 -0.03139 -0.00109 135 3PX 0.00318 -0.01262 -0.00702 0.00618 -0.00048 136 3PY 0.00213 -0.00969 -0.00077 0.00395 0.00025 137 3PZ 0.02033 -0.00942 0.00151 0.01531 -0.00021 138 4XX 0.00139 -0.00147 -0.00037 0.00129 0.00000 139 4YY 0.00026 0.00079 0.00090 -0.00035 0.00006 140 4ZZ -0.00033 0.00014 -0.00036 -0.00008 0.00003 141 4XY -0.00040 -0.00082 -0.00055 -0.00005 -0.00005 142 4XZ -0.00187 0.00007 -0.00044 -0.00093 0.00004 143 4YZ 0.00164 0.00037 0.00061 0.00080 0.00002 144 14 C 1S 0.00606 -0.00470 -0.00098 0.00664 -0.00063 145 2S -0.00124 0.01726 0.01048 -0.00698 0.00056 146 2PX -0.00166 0.02393 0.00749 -0.00779 0.00092 147 2PY -0.00812 0.00042 -0.00131 -0.00013 0.00003 148 2PZ -0.01872 -0.03174 -0.02065 0.00119 -0.00036 149 3S 0.00822 0.00614 0.01295 0.00620 0.00265 150 3PX -0.00074 0.01151 0.00524 -0.00038 0.00163 151 3PY -0.00021 -0.00630 -0.00020 0.00482 -0.00103 152 3PZ -0.00599 -0.01038 -0.00827 -0.00124 0.00221 153 4XX 0.00009 0.00075 -0.00012 -0.00115 -0.00015 154 4YY -0.00193 0.00187 0.00015 -0.00175 -0.00006 155 4ZZ 0.00176 -0.00344 -0.00076 0.00268 0.00024 156 4XY 0.00003 -0.00086 -0.00052 0.00002 -0.00009 157 4XZ -0.00100 0.00534 0.00189 -0.00366 -0.00014 158 4YZ 0.00124 0.00131 0.00081 0.00021 -0.00006 159 15 C 1S 0.01939 -0.00116 0.00042 0.00289 -0.00166 160 2S -0.00897 0.00241 0.00593 0.00279 0.00291 161 2PX 0.03370 -0.06898 -0.01876 0.07191 0.00639 162 2PY 0.03755 -0.02648 0.00966 0.01844 0.00236 163 2PZ 0.01772 0.05827 0.01998 -0.02544 -0.00506 164 3S 0.00633 -0.01131 -0.00142 0.01276 0.00712 165 3PX 0.00810 -0.04891 -0.01364 0.04703 0.00462 166 3PY 0.01662 -0.01405 -0.00006 0.01040 0.00312 167 3PZ -0.00658 0.04816 0.01789 -0.03220 -0.00457 168 4XX 0.00472 -0.00307 -0.00193 0.00247 -0.00044 169 4YY -0.00364 0.00184 -0.00001 -0.00113 0.00003 170 4ZZ -0.00023 -0.00015 0.00089 -0.00026 0.00011 171 4XY 0.00142 -0.00135 0.00003 0.00168 -0.00002 172 4XZ -0.00285 0.00369 0.00203 -0.00204 0.00022 173 4YZ 0.00038 0.00132 0.00012 0.00000 -0.00008 174 16 H 1S 0.00376 -0.00141 0.00192 0.01246 0.00035 175 2S 0.00975 -0.00671 -0.00049 0.01872 0.00029 176 17 H 1S -0.00200 -0.00181 -0.00061 -0.00424 -0.00016 177 2S -0.00662 0.00104 -0.00090 -0.00986 -0.00018 178 18 H 1S 0.02037 0.00386 0.01137 -0.00076 -0.00022 179 2S 0.02623 -0.00368 0.01246 0.00671 0.00028 180 19 H 1S 0.00045 -0.00973 -0.00532 0.00139 0.00007 181 2S 0.00730 -0.00637 0.00234 0.00014 0.00073 182 20 H 1S -0.00477 0.02015 0.00650 -0.01303 -0.00031 183 2S -0.01426 0.02389 0.00533 -0.02558 -0.00458 184 21 H 1S -0.02949 0.01402 -0.00485 -0.00815 0.00033 185 2S -0.02846 0.01788 -0.00477 -0.01338 -0.00067 186 22 H 1S 0.01568 0.00285 0.00665 0.00496 -0.00012 187 2S 0.02780 -0.00369 0.00430 0.01380 0.00000 188 23 H 1S -0.00339 -0.03165 -0.01293 0.01169 0.00042 189 2S 0.00314 -0.05085 -0.02065 0.02778 0.00044 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 O 1S 0.00187 -0.00015 0.00472 -0.00482 0.00418 17 2S -0.00416 0.00085 -0.01094 0.01112 -0.00916 18 2PX 0.00837 -0.01393 0.00471 -0.02047 0.01404 19 2PY -0.01670 0.00483 0.01114 0.01396 0.00988 20 2PZ 0.00734 0.02319 0.01508 -0.00360 -0.00087 21 3S -0.00037 -0.00055 -0.01372 0.00833 -0.01643 22 3PX 0.00484 -0.01120 0.00028 -0.01239 0.00876 23 3PY -0.01109 0.00301 0.00645 0.00952 0.00552 24 3PZ 0.00453 0.01586 0.00910 -0.00057 -0.00239 25 4XX -0.00009 0.00032 -0.00036 0.00026 0.00009 26 4YY -0.00086 0.00021 0.00086 0.00067 0.00082 27 4ZZ 0.00012 -0.00011 0.00000 -0.00029 0.00035 28 4XY 0.00033 -0.00031 0.00003 -0.00095 0.00054 29 4XZ -0.00020 -0.00014 -0.00023 0.00045 0.00007 30 4YZ 0.00016 0.00112 0.00036 -0.00013 0.00011 31 3 C 1S 0.00097 -0.00113 -0.00146 -0.00001 -0.00168 32 2S -0.00241 0.00264 0.00346 0.00075 0.00394 33 2PX 0.00310 -0.00371 -0.00387 -0.00315 -0.00431 34 2PY 0.00266 -0.00409 -0.00847 -0.00029 -0.00716 35 2PZ 0.00292 -0.00353 -0.00433 -0.00327 -0.00376 36 3S -0.00182 0.00211 0.00259 -0.00119 0.00486 37 3PX 0.00128 -0.00287 -0.00192 -0.00119 -0.00177 38 3PY -0.00101 -0.00153 -0.00349 0.00166 -0.00356 39 3PZ 0.00132 0.00096 -0.00042 0.00022 -0.00290 40 4XX -0.00007 0.00058 0.00016 0.00060 -0.00033 41 4YY 0.00019 0.00040 0.00003 -0.00024 -0.00008 42 4ZZ -0.00013 -0.00110 -0.00034 -0.00016 0.00022 43 4XY -0.00054 0.00069 0.00038 0.00063 -0.00005 44 4XZ -0.00030 0.00005 0.00031 0.00052 0.00015 45 4YZ -0.00052 -0.00027 0.00013 0.00022 0.00040 46 4 C 1S -0.00653 0.00346 0.00007 0.00133 0.00081 47 2S 0.01193 -0.00793 -0.00037 -0.00307 -0.00171 48 2PX 0.00092 0.00233 0.01259 0.00017 -0.00512 49 2PY -0.00799 0.01007 -0.00563 0.00447 -0.00038 50 2PZ 0.00075 -0.00379 -0.00419 -0.00034 0.01435 51 3S 0.01065 -0.00858 -0.00612 -0.00378 -0.00372 52 3PX -0.00134 0.00231 0.00720 0.00085 -0.00559 53 3PY -0.00339 0.00223 -0.00241 0.00203 0.00309 54 3PZ -0.00132 -0.00162 -0.00480 0.00145 0.00723 55 4XX -0.00034 0.00024 0.00016 0.00000 0.00047 56 4YY -0.00010 -0.00026 -0.00009 0.00023 -0.00007 57 4ZZ -0.00026 0.00074 -0.00004 0.00019 -0.00022 58 4XY 0.00009 0.00004 0.00000 -0.00036 0.00055 59 4XZ 0.00023 0.00019 0.00036 0.00004 0.00017 60 4YZ 0.00007 0.00022 0.00055 -0.00017 0.00062 61 5 H 1S 0.00013 -0.00360 -0.00183 -0.00183 0.00070 62 2S 0.00011 -0.00765 -0.00380 -0.00289 0.00148 63 6 H 1S 0.00043 0.00137 0.00038 0.00037 -0.00170 64 2S 0.00070 0.00374 0.00106 0.00177 -0.00353 65 7 O 1S -0.00113 -0.00041 -0.00019 0.00019 -0.00025 66 2S 0.00172 0.00103 0.00005 -0.00040 0.00048 67 2PX -0.00322 -0.00312 -0.00571 -0.00061 -0.00497 68 2PY -0.00525 -0.00022 -0.00352 0.00129 -0.00300 69 2PZ -0.00191 0.00376 -0.00395 0.00219 -0.00360 70 3S 0.00284 0.00163 0.00090 -0.00219 0.00023 71 3PX -0.00167 -0.00235 -0.00407 -0.00033 -0.00223 72 3PY -0.00393 -0.00032 -0.00219 0.00114 -0.00193 73 3PZ -0.00071 0.00283 -0.00122 0.00133 -0.00308 74 4XX 0.00009 -0.00001 -0.00046 0.00004 0.00020 75 4YY 0.00005 0.00004 0.00039 0.00013 0.00029 76 4ZZ -0.00010 -0.00004 -0.00010 -0.00003 -0.00046 77 4XY 0.00045 -0.00018 0.00033 -0.00009 0.00023 78 4XZ 0.00027 -0.00014 0.00002 -0.00007 -0.00020 79 4YZ 0.00028 -0.00037 0.00037 -0.00016 -0.00002 80 8 H 1S 0.00067 0.00200 -0.00225 0.00135 -0.00732 81 2S -0.00248 0.00396 -0.00105 0.00287 -0.00649 82 9 H 1S -0.00133 0.00728 0.00491 0.00219 0.01375 83 2S -0.00114 0.00780 0.00503 0.00106 0.00999 84 10 C 1S -0.00013 -0.00029 0.00016 -0.00048 0.00029 85 2S -0.00023 0.00012 -0.00026 0.00093 -0.00044 86 2PX -0.00212 -0.00135 0.00433 -0.00196 -0.00517 87 2PY 0.00021 0.00021 0.00101 -0.00047 -0.00091 88 2PZ 0.00109 0.00082 -0.00386 0.00187 0.00430 89 3S 0.00113 0.00123 0.00143 -0.00108 -0.00187 90 3PX -0.00074 -0.00018 0.00423 -0.00206 -0.00491 91 3PY -0.00027 -0.00052 0.00158 -0.00124 -0.00049 92 3PZ 0.00119 0.00131 -0.00243 0.00098 0.00297 93 4XX -0.00010 -0.00016 0.00005 -0.00017 -0.00001 94 4YY 0.00008 0.00007 0.00004 0.00010 -0.00007 95 4ZZ 0.00001 0.00017 -0.00002 0.00012 0.00000 96 4XY 0.00001 0.00011 -0.00003 0.00007 0.00001 97 4XZ -0.00004 0.00001 0.00000 -0.00003 -0.00008 98 4YZ -0.00004 -0.00009 0.00001 -0.00009 0.00002 99 11 C 1S -0.00006 -0.00029 -0.00007 -0.00015 0.00021 100 2S 0.00020 0.00039 0.00073 0.00017 -0.00063 101 2PX -0.00040 0.00168 0.00112 0.00113 -0.00166 102 2PY -0.00036 -0.00028 -0.00003 -0.00034 0.00047 103 2PZ 0.00041 -0.00081 0.00003 -0.00070 0.00061 104 3S -0.00034 0.00145 -0.00062 0.00230 -0.00015 105 3PX -0.00066 0.00194 0.00072 0.00173 -0.00124 106 3PY -0.00015 -0.00056 0.00100 -0.00120 -0.00023 107 3PZ -0.00027 -0.00077 -0.00074 0.00001 0.00098 108 4XX 0.00002 -0.00002 -0.00027 0.00005 0.00026 109 4YY 0.00000 -0.00001 0.00012 -0.00001 -0.00010 110 4ZZ -0.00001 0.00004 0.00015 -0.00003 -0.00014 111 4XY 0.00009 0.00008 -0.00017 0.00010 0.00022 112 4XZ -0.00003 0.00004 0.00000 0.00003 0.00001 113 4YZ -0.00004 -0.00003 0.00028 -0.00011 -0.00028 114 12 C 1S 0.00008 -0.00011 0.00037 -0.00016 -0.00043 115 2S -0.00002 0.00080 -0.00017 0.00052 0.00030 116 2PX 0.00029 0.00016 -0.00560 0.00162 0.00505 117 2PY 0.00010 -0.00085 0.00230 -0.00076 -0.00154 118 2PZ -0.00048 0.00001 0.00325 -0.00149 -0.00330 119 3S 0.00091 -0.00076 -0.00075 -0.00094 0.00172 120 3PX 0.00000 0.00059 -0.00377 0.00169 0.00388 121 3PY -0.00033 0.00107 0.00101 0.00101 -0.00112 122 3PZ -0.00013 -0.00013 0.00331 -0.00148 -0.00305 123 4XX 0.00001 -0.00011 -0.00023 -0.00002 0.00021 124 4YY 0.00000 0.00000 0.00013 -0.00001 -0.00009 125 4ZZ -0.00004 0.00012 -0.00002 0.00009 -0.00009 126 4XY -0.00001 0.00007 0.00010 0.00005 -0.00009 127 4XZ -0.00003 0.00008 0.00023 -0.00002 -0.00015 128 4YZ 0.00001 -0.00007 -0.00004 0.00000 0.00003 129 13 C 1S -0.00008 -0.00049 -0.00020 0.00000 0.00011 130 2S 0.00002 0.00104 0.00069 -0.00019 -0.00086 131 2PX -0.00039 0.00049 0.00069 -0.00064 -0.00045 132 2PY -0.00053 -0.00051 0.00008 -0.00001 -0.00028 133 2PZ 0.00052 -0.00123 -0.00080 0.00047 0.00108 134 3S 0.00032 0.00204 0.00000 0.00124 0.00020 135 3PX 0.00016 0.00013 0.00060 -0.00079 0.00027 136 3PY -0.00050 -0.00008 0.00040 -0.00020 -0.00075 137 3PZ 0.00046 -0.00077 -0.00015 -0.00018 0.00029 138 4XX 0.00000 -0.00004 0.00007 -0.00003 -0.00007 139 4YY -0.00001 -0.00001 0.00012 -0.00006 -0.00013 140 4ZZ -0.00001 -0.00004 -0.00024 0.00009 0.00020 141 4XY -0.00002 0.00004 0.00000 0.00003 -0.00001 142 4XZ -0.00006 0.00010 0.00029 -0.00008 -0.00030 143 4YZ -0.00002 -0.00001 -0.00005 -0.00005 0.00005 144 14 C 1S 0.00003 -0.00062 -0.00037 0.00066 0.00023 145 2S -0.00028 0.00051 0.00055 -0.00101 -0.00046 146 2PX -0.00017 0.00050 -0.00007 -0.00114 0.00049 147 2PY 0.00039 0.00048 0.00037 0.00007 -0.00025 148 2PZ 0.00086 -0.00154 -0.00068 0.00209 0.00104 149 3S -0.00173 0.00031 0.00252 -0.00127 -0.00140 150 3PX -0.00055 -0.00056 -0.00074 -0.00019 0.00029 151 3PY 0.00030 0.00096 0.00040 0.00011 -0.00086 152 3PZ -0.00003 -0.00250 -0.00077 0.00054 0.00121 153 4XX 0.00004 0.00005 -0.00009 0.00012 0.00013 154 4YY 0.00009 0.00005 0.00006 0.00001 -0.00004 155 4ZZ -0.00008 -0.00017 0.00003 -0.00016 0.00000 156 4XY 0.00002 0.00000 0.00001 0.00005 0.00000 157 4XZ 0.00004 0.00017 0.00001 -0.00002 0.00001 158 4YZ 0.00002 0.00005 0.00004 -0.00003 -0.00004 159 15 C 1S -0.00015 0.00005 -0.00065 0.00087 0.00069 160 2S -0.00072 -0.00093 0.00175 -0.00215 -0.00189 161 2PX -0.00200 -0.00300 0.00232 -0.00444 -0.00161 162 2PY -0.00233 -0.00031 -0.00081 -0.00155 0.00050 163 2PZ 0.00114 0.00308 -0.00135 0.00101 0.00103 164 3S -0.00221 -0.00431 -0.00026 -0.00174 0.00001 165 3PX -0.00123 -0.00194 0.00166 -0.00304 -0.00252 166 3PY -0.00109 -0.00251 -0.00187 -0.00075 0.00115 167 3PZ 0.00142 0.00257 -0.00108 0.00144 -0.00021 168 4XX 0.00004 0.00018 -0.00038 0.00023 0.00043 169 4YY 0.00015 -0.00003 0.00013 -0.00003 -0.00015 170 4ZZ -0.00007 0.00003 0.00018 -0.00010 -0.00011 171 4XY 0.00001 -0.00004 -0.00002 -0.00009 0.00003 172 4XZ -0.00004 -0.00003 0.00006 -0.00003 -0.00023 173 4YZ 0.00001 0.00010 -0.00001 0.00000 -0.00001 174 16 H 1S -0.00008 0.00003 -0.00004 0.00002 -0.00023 175 2S -0.00018 0.00021 0.00046 -0.00056 -0.00024 176 17 H 1S -0.00019 -0.00006 -0.00041 0.00004 0.00040 177 2S -0.00042 0.00012 -0.00102 0.00048 0.00077 178 18 H 1S 0.00017 -0.00023 0.00116 -0.00024 -0.00057 179 2S 0.00015 -0.00083 0.00147 -0.00089 -0.00104 180 19 H 1S -0.00030 0.00031 0.00088 -0.00045 -0.00090 181 2S -0.00071 0.00002 0.00118 -0.00037 -0.00185 182 20 H 1S 0.00002 0.00078 -0.00019 -0.00020 0.00044 183 2S 0.00154 0.00305 -0.00009 0.00037 -0.00013 184 21 H 1S 0.00113 -0.00055 0.00137 -0.00012 -0.00127 185 2S 0.00161 -0.00050 0.00017 0.00046 -0.00062 186 22 H 1S 0.00032 -0.00055 -0.00128 0.00051 0.00126 187 2S 0.00033 -0.00111 -0.00256 0.00036 0.00282 188 23 H 1S -0.00006 -0.00121 -0.00009 0.00067 0.00002 189 2S -0.00015 -0.00139 -0.00071 0.00051 0.00017 16 17 18 19 20 16 2 O 1S 2.07557 17 2S -0.17799 0.50359 18 2PX -0.01251 0.02850 0.64791 19 2PY 0.03973 -0.07464 -0.02586 0.66562 20 2PZ -0.00478 0.00375 -0.13783 -0.04102 0.71650 21 3S -0.24523 0.59250 0.04942 -0.21999 0.05273 22 3PX -0.00938 0.02093 0.40599 -0.03487 -0.15870 23 3PY 0.02573 -0.04921 -0.03536 0.42235 -0.03769 24 3PZ -0.00453 0.00464 -0.14600 -0.04619 0.46280 25 4XX -0.01520 -0.00285 -0.01349 -0.00530 0.00322 26 4YY -0.01267 -0.00833 0.00249 0.04105 -0.00244 27 4ZZ -0.01397 -0.00547 0.00533 -0.00589 -0.00731 28 4XY -0.00150 0.00344 0.02796 -0.00808 -0.00450 29 4XZ -0.00372 0.00792 -0.00237 0.00090 -0.00743 30 4YZ -0.00139 0.00292 -0.00402 -0.00308 0.02923 31 3 C 1S 0.00354 -0.00656 -0.02523 -0.05976 -0.02423 32 2S -0.00182 0.00256 0.05125 0.13128 0.04942 33 2PX 0.01529 -0.03725 -0.05310 -0.13976 -0.05329 34 2PY 0.02798 -0.06678 -0.12286 -0.21995 -0.13959 35 2PZ 0.01502 -0.03600 -0.05825 -0.14525 -0.05266 36 3S 0.02924 -0.07391 0.03114 0.09641 0.02272 37 3PX -0.00403 0.00862 0.00239 -0.05244 -0.04080 38 3PY 0.00234 -0.00203 -0.04748 -0.01936 -0.06256 39 3PZ -0.00333 0.00686 -0.06073 -0.05205 0.03540 40 4XX 0.00248 -0.00540 -0.02408 0.00102 0.00833 41 4YY -0.00615 0.01471 0.01377 -0.00405 0.01598 42 4ZZ 0.00216 -0.00417 0.00781 0.00110 -0.02693 43 4XY -0.00391 0.00924 -0.00690 0.01984 0.01749 44 4XZ -0.00149 0.00368 -0.00134 0.01286 -0.00132 45 4YZ -0.00458 0.01106 0.01703 0.02151 -0.00887 46 4 C 1S -0.00177 0.00716 -0.01256 0.02271 0.00200 47 2S 0.00495 -0.01548 0.02728 -0.05458 -0.00190 48 2PX 0.00446 -0.01397 -0.07077 -0.02756 0.04870 49 2PY -0.00162 0.01727 -0.03231 0.05834 -0.05122 50 2PZ 0.00858 -0.01589 0.04711 -0.01344 -0.05769 51 3S -0.01912 0.03953 0.05189 -0.11865 -0.02258 52 3PX -0.00040 -0.00018 -0.06279 0.01223 0.04580 53 3PY 0.00866 -0.01381 0.00293 0.07006 -0.04205 54 3PZ 0.00034 0.00415 0.01592 0.02568 -0.04494 55 4XX 0.00017 -0.00013 0.00181 -0.00128 -0.00149 56 4YY -0.00113 0.00172 -0.00323 0.00525 -0.00191 57 4ZZ -0.00041 0.00103 -0.00311 0.00022 0.00376 58 4XY 0.00019 -0.00005 0.00571 -0.00352 0.00395 59 4XZ 0.00019 -0.00040 -0.00061 -0.00129 0.00219 60 4YZ 0.00025 -0.00048 0.00497 -0.00300 0.00360 61 5 H 1S 0.00889 -0.02014 0.02514 -0.01451 -0.07388 62 2S 0.00532 -0.01017 0.08190 -0.02789 -0.15916 63 6 H 1S 0.01026 -0.02490 -0.06499 -0.01387 0.02890 64 2S 0.00570 -0.01482 -0.11691 -0.03139 0.07566 65 7 O 1S 0.00092 -0.00175 -0.00451 0.01105 -0.00933 66 2S -0.00175 0.00434 0.00771 -0.02888 0.01775 67 2PX -0.00451 0.00771 0.00552 0.00092 -0.01625 68 2PY -0.01104 0.02888 -0.00092 0.13550 -0.00572 69 2PZ -0.00933 0.01775 -0.01624 0.00575 0.00705 70 3S -0.01294 0.02675 0.03677 -0.05942 0.07072 71 3PX -0.00662 0.01437 0.00624 0.00134 -0.00569 72 3PY -0.00453 0.01241 -0.00192 0.10449 -0.01084 73 3PZ -0.01028 0.02059 -0.00999 0.00175 0.01675 74 4XX 0.00031 -0.00032 -0.00140 -0.00226 -0.00269 75 4YY 0.00035 -0.00120 0.00051 0.00223 0.00072 76 4ZZ -0.00024 0.00068 -0.00158 -0.00197 -0.00342 77 4XY 0.00079 -0.00193 -0.00037 -0.00332 0.00069 78 4XZ 0.00022 -0.00068 -0.00132 -0.00299 -0.00072 79 4YZ 0.00075 -0.00177 0.00020 -0.00194 -0.00060 80 8 H 1S -0.00352 0.00990 -0.02878 0.01996 -0.00586 81 2S -0.00324 0.00967 -0.05948 0.04325 0.00657 82 9 H 1S 0.01458 -0.02981 0.01401 0.01735 0.04332 83 2S 0.01572 -0.03188 0.01598 0.02196 0.07308 84 10 C 1S 0.00025 -0.00129 0.00317 0.00082 -0.00062 85 2S -0.00139 0.00317 -0.01246 0.00223 0.00105 86 2PX -0.00322 0.00263 -0.00852 0.00006 0.00173 87 2PY 0.00047 -0.00153 0.00184 0.00070 0.00194 88 2PZ 0.00087 0.00027 -0.00689 -0.00067 0.00446 89 3S 0.00079 -0.00745 -0.01266 -0.03844 0.04570 90 3PX -0.00142 -0.00210 -0.00816 -0.01578 0.02054 91 3PY 0.00426 -0.00988 0.01627 0.00470 -0.00925 92 3PZ 0.00192 -0.00330 -0.00863 -0.01122 0.01853 93 4XX 0.00007 -0.00017 0.00235 0.00047 -0.00184 94 4YY -0.00006 0.00022 -0.00167 0.00014 0.00100 95 4ZZ -0.00013 0.00056 -0.00253 0.00020 0.00209 96 4XY 0.00001 0.00003 -0.00170 -0.00006 0.00139 97 4XZ -0.00007 0.00008 -0.00035 -0.00047 0.00009 98 4YZ 0.00018 -0.00030 0.00253 0.00051 -0.00235 99 11 C 1S 0.00003 0.00010 0.00146 -0.00082 -0.00083 100 2S 0.00038 -0.00105 -0.00392 -0.00067 0.00297 101 2PX -0.00238 0.00425 -0.04303 -0.00104 0.03260 102 2PY 0.00041 -0.00032 0.00710 -0.00082 -0.00412 103 2PZ 0.00198 -0.00298 0.03015 0.00201 -0.02205 104 3S -0.00543 0.01365 -0.02272 0.01674 0.01046 105 3PX -0.00314 0.00674 -0.04386 0.00766 0.03159 106 3PY 0.00232 -0.00621 0.01549 -0.00397 -0.00332 107 3PZ 0.00044 0.00084 0.02318 0.01235 -0.02613 108 4XX 0.00000 0.00009 0.00031 -0.00001 -0.00068 109 4YY -0.00004 0.00004 -0.00041 -0.00024 0.00034 110 4ZZ 0.00000 -0.00011 -0.00058 -0.00028 0.00066 111 4XY 0.00015 -0.00016 -0.00003 0.00001 0.00025 112 4XZ -0.00004 0.00009 -0.00051 0.00026 0.00007 113 4YZ -0.00002 -0.00007 0.00033 -0.00006 0.00020 114 12 C 1S -0.00022 -0.00032 0.00196 -0.00012 -0.00038 115 2S -0.00083 0.00189 -0.01053 0.00069 0.00618 116 2PX -0.00029 0.00260 -0.00511 0.00506 -0.01086 117 2PY 0.00057 -0.00159 0.00636 -0.00592 0.00506 118 2PZ -0.00038 -0.00241 0.00385 -0.00207 0.00367 119 3S 0.00478 -0.01174 0.01340 -0.01504 -0.00940 120 3PX 0.00034 0.00062 -0.00598 0.01029 -0.00676 121 3PY -0.00292 0.00710 -0.01719 0.00351 0.01291 122 3PZ -0.00037 -0.00261 0.00465 -0.00627 0.01134 123 4XX 0.00005 0.00009 0.00284 0.00057 -0.00300 124 4YY -0.00013 0.00025 -0.00074 -0.00051 0.00126 125 4ZZ -0.00024 0.00047 -0.00252 0.00016 0.00186 126 4XY -0.00001 0.00007 -0.00087 0.00024 0.00054 127 4XZ -0.00001 -0.00013 -0.00149 -0.00050 0.00179 128 4YZ 0.00001 0.00003 0.00036 0.00001 -0.00037 129 13 C 1S 0.00035 -0.00036 0.00404 0.00108 -0.00486 130 2S -0.00090 0.00121 -0.00894 -0.00204 0.01105 131 2PX -0.00001 0.00059 0.00208 -0.00350 0.00420 132 2PY 0.00021 -0.00149 -0.00085 0.00314 -0.00132 133 2PZ 0.00074 -0.00001 0.00993 0.00004 -0.00777 134 3S -0.00140 0.00520 -0.02580 -0.00375 0.01644 135 3PX 0.00066 -0.00116 0.00457 -0.01138 0.00984 136 3PY 0.00032 -0.00170 -0.00796 0.00147 0.00790 137 3PZ 0.00120 -0.00313 0.00206 -0.00662 0.00189 138 4XX 0.00004 -0.00018 0.00035 -0.00002 -0.00015 139 4YY -0.00004 0.00000 0.00056 -0.00024 -0.00030 140 4ZZ -0.00007 0.00014 0.00002 0.00066 -0.00126 141 4XY -0.00020 0.00047 -0.00080 -0.00022 0.00112 142 4XZ -0.00011 0.00016 -0.00059 -0.00033 0.00133 143 4YZ 0.00014 -0.00015 0.00081 0.00016 -0.00077 144 14 C 1S -0.00056 0.00228 -0.00379 -0.00114 0.00311 145 2S 0.00099 -0.00252 0.01216 -0.00118 -0.00877 146 2PX 0.00448 -0.00961 0.01822 0.00506 -0.02213 147 2PY -0.00124 0.00340 -0.00615 -0.00452 0.00845 148 2PZ -0.00165 0.00099 -0.00593 0.00074 -0.00281 149 3S 0.00837 -0.01856 0.01251 0.03112 -0.02064 150 3PX 0.00231 -0.00416 0.01347 0.01811 -0.03046 151 3PY -0.00265 0.00504 -0.01906 -0.00894 0.03008 152 3PZ 0.00095 -0.00118 0.02775 0.01364 -0.04819 153 4XX 0.00014 -0.00029 -0.00092 0.00024 0.00025 154 4YY -0.00007 0.00012 -0.00022 -0.00054 0.00078 155 4ZZ 0.00013 -0.00040 0.00224 -0.00010 -0.00182 156 4XY -0.00014 0.00034 -0.00076 -0.00014 0.00109 157 4XZ 0.00013 -0.00031 0.00009 -0.00041 0.00039 158 4YZ 0.00001 0.00010 -0.00011 -0.00023 0.00069 159 15 C 1S -0.00006 0.00144 -0.00871 -0.00185 0.00815 160 2S 0.00124 -0.00357 0.01381 0.00158 -0.00917 161 2PX 0.00404 -0.00921 0.06018 0.00861 -0.05232 162 2PY 0.00016 -0.00011 0.01144 -0.00100 -0.01312 163 2PZ 0.00063 0.00160 -0.01992 -0.00435 0.02774 164 3S -0.00072 0.00713 0.06013 0.03806 -0.09375 165 3PX -0.00230 0.00371 0.03304 -0.01207 -0.02385 166 3PY -0.00275 0.00817 0.03525 0.00555 -0.05511 167 3PZ -0.00410 0.00911 -0.03603 -0.01762 0.04420 168 4XX 0.00035 -0.00046 -0.00293 -0.00032 0.00201 169 4YY 0.00017 -0.00051 0.00016 0.00000 0.00057 170 4ZZ 0.00016 -0.00055 0.00088 0.00000 0.00045 171 4XY 0.00005 -0.00017 0.00094 -0.00031 0.00014 172 4XZ -0.00011 0.00025 0.00017 0.00046 -0.00175 173 4YZ 0.00000 0.00013 -0.00009 -0.00005 0.00007 174 16 H 1S 0.00019 0.00028 0.00315 -0.00017 -0.00405 175 2S 0.00148 -0.00269 0.00741 -0.00120 -0.00151 176 17 H 1S -0.00010 0.00005 -0.00034 0.00008 -0.00141 177 2S -0.00077 0.00190 -0.00462 0.00423 -0.00298 178 18 H 1S 0.00027 -0.00065 -0.00043 -0.00414 0.00615 179 2S 0.00064 -0.00182 0.00851 -0.00308 0.00135 180 19 H 1S -0.00029 0.00059 -0.00035 -0.00238 0.00407 181 2S -0.00186 0.00406 0.00767 0.00836 -0.00690 182 20 H 1S 0.00248 -0.00571 0.00293 0.00146 -0.00480 183 2S -0.00390 0.00520 -0.03406 -0.03728 0.06464 184 21 H 1S 0.00030 -0.00116 0.00313 0.00246 -0.00082 185 2S -0.00252 0.00539 -0.00053 -0.00903 -0.00039 186 22 H 1S 0.00058 -0.00069 0.00313 0.00275 -0.00693 187 2S 0.00121 -0.00104 0.01766 0.00415 -0.02058 188 23 H 1S -0.00177 0.00219 -0.00117 0.00041 -0.00143 189 2S -0.00270 0.00417 -0.00434 -0.00207 0.00442 21 22 23 24 25 21 3S 0.75617 22 3PX 0.03229 0.26577 23 3PY -0.14006 -0.03225 0.26980 24 3PZ 0.04136 -0.13780 -0.03459 0.30849 25 4XX -0.00421 -0.00785 -0.00286 0.00301 0.00104 26 4YY -0.01836 0.00029 0.02560 -0.00326 -0.00033 27 4ZZ -0.00646 0.00401 -0.00371 -0.00472 0.00002 28 4XY 0.00490 0.01726 -0.00594 -0.00506 -0.00037 29 4XZ 0.00741 -0.00077 0.00087 -0.00424 0.00009 30 4YZ 0.00413 -0.00508 -0.00252 0.01812 0.00023 31 3 C 1S 0.02100 -0.00730 -0.03520 -0.00646 0.00031 32 2S -0.05475 0.01639 0.07587 0.01413 -0.00092 33 2PX -0.02477 -0.03746 -0.08011 -0.01332 0.00985 34 2PY -0.03596 -0.04929 -0.13390 -0.06661 0.00249 35 2PZ -0.02665 -0.01733 -0.08593 -0.03966 0.00036 36 3S -0.13767 0.00867 0.05610 -0.00200 0.00126 37 3PX 0.01708 0.00190 -0.03030 -0.02003 0.00281 38 3PY 0.00629 -0.02067 -0.00871 -0.03359 0.00039 39 3PZ 0.01928 -0.03709 -0.03011 0.02610 0.00025 40 4XX -0.00775 -0.01644 0.00129 0.00819 0.00094 41 4YY 0.02322 0.00749 -0.00301 0.00990 -0.00058 42 4ZZ -0.00867 0.00798 0.00069 -0.01914 -0.00039 43 4XY 0.00750 -0.00701 0.01253 0.01068 0.00007 44 4XZ 0.00155 -0.00098 0.00776 -0.00087 -0.00035 45 4YZ 0.00927 0.01035 0.01360 -0.00786 -0.00048 46 4 C 1S -0.00338 -0.00941 0.01410 0.00235 0.00027 47 2S -0.00398 0.02046 -0.03728 -0.00388 0.00014 48 2PX -0.01643 -0.05944 -0.01912 0.04773 -0.00368 49 2PY -0.03055 -0.01728 0.03997 -0.04114 0.00416 50 2PZ -0.06696 0.04762 -0.01435 -0.05147 0.00503 51 3S 0.06991 0.04012 -0.07832 -0.02363 0.00129 52 3PX 0.00817 -0.05124 0.00943 0.03962 -0.00203 53 3PY -0.04760 0.00649 0.04594 -0.03260 0.00205 54 3PZ -0.02588 0.02007 0.01465 -0.03821 0.00335 55 4XX -0.00333 0.00099 -0.00137 -0.00132 -0.00005 56 4YY 0.00284 -0.00167 0.00393 -0.00071 0.00009 57 4ZZ 0.00163 -0.00235 0.00031 0.00284 -0.00001 58 4XY -0.00090 0.00407 -0.00219 0.00122 0.00046 59 4XZ -0.00219 -0.00033 -0.00114 0.00133 0.00004 60 4YZ -0.00023 0.00223 -0.00193 0.00308 -0.00020 61 5 H 1S -0.04560 0.02839 -0.00974 -0.06367 -0.00188 62 2S -0.02896 0.07369 -0.01831 -0.12026 -0.00272 63 6 H 1S -0.04016 -0.05426 -0.00600 0.03093 0.00638 64 2S -0.01085 -0.08762 -0.01562 0.06848 0.00588 65 7 O 1S -0.01294 -0.00662 0.00453 -0.01028 0.00031 66 2S 0.02675 0.01437 -0.01241 0.02059 -0.00032 67 2PX 0.03677 0.00624 0.00192 -0.01000 -0.00140 68 2PY 0.05940 -0.00134 0.10448 -0.00173 0.00226 69 2PZ 0.07072 -0.00568 0.01085 0.01676 -0.00269 70 3S 0.08394 0.02853 -0.02905 0.05953 -0.00148 71 3PX 0.02853 0.00658 0.00115 -0.00632 -0.00031 72 3PY 0.02903 -0.00115 0.07829 -0.00617 0.00118 73 3PZ 0.05953 -0.00632 0.00619 0.02065 -0.00183 74 4XX -0.00148 -0.00031 -0.00118 -0.00184 0.00050 75 4YY -0.00513 -0.00009 0.00014 -0.00021 -0.00026 76 4ZZ 0.00135 -0.00074 -0.00094 -0.00230 -0.00004 77 4XY -0.00244 0.00008 -0.00244 0.00041 -0.00010 78 4XZ -0.00058 -0.00070 -0.00179 -0.00023 0.00005 79 4YZ -0.00258 -0.00036 -0.00155 -0.00015 0.00000 80 8 H 1S 0.01898 -0.02013 0.01569 -0.00329 -0.00004 81 2S 0.01364 -0.04088 0.03097 0.00722 0.00016 82 9 H 1S -0.07740 0.00237 0.00922 0.03206 0.00288 83 2S -0.06866 -0.00175 0.01053 0.04917 0.00109 84 10 C 1S 0.00114 0.00189 0.00093 -0.00173 -0.00008 85 2S 0.00790 -0.01050 0.00179 0.00208 -0.00055 86 2PX 0.03874 -0.01370 0.00430 -0.00205 -0.00230 87 2PY -0.00181 0.00021 0.00012 0.00177 -0.00019 88 2PZ -0.01430 -0.00372 -0.00182 0.00526 0.00099 89 3S 0.00169 -0.01066 -0.02535 0.03136 0.00069 90 3PX 0.02453 -0.01122 -0.00766 0.01284 -0.00147 91 3PY -0.01276 0.01247 0.00281 -0.00864 0.00013 92 3PZ -0.01834 -0.00387 -0.00921 0.01389 0.00156 93 4XX -0.00011 0.00200 0.00036 -0.00202 0.00013 94 4YY 0.00019 -0.00128 0.00012 0.00108 -0.00005 95 4ZZ 0.00009 -0.00180 0.00005 0.00199 -0.00002 96 4XY -0.00011 -0.00141 -0.00014 0.00138 -0.00009 97 4XZ 0.00016 -0.00017 -0.00034 0.00012 0.00000 98 4YZ -0.00123 0.00239 0.00031 -0.00209 0.00014 99 11 C 1S -0.00062 0.00134 -0.00076 -0.00103 0.00009 100 2S -0.00216 -0.00261 -0.00013 0.00346 -0.00010 101 2PX 0.01710 -0.03878 -0.00032 0.03012 -0.00275 102 2PY -0.00387 0.00824 -0.00031 -0.00421 0.00069 103 2PZ -0.01805 0.03033 0.00157 -0.01983 0.00236 104 3S 0.01897 -0.01853 0.01304 0.01212 -0.00048 105 3PX 0.01954 -0.03921 0.00582 0.02959 -0.00241 106 3PY -0.00641 0.01308 -0.00226 -0.00470 0.00063 107 3PZ -0.00831 0.02231 0.00876 -0.02175 0.00160 108 4XX -0.00044 0.00021 -0.00012 -0.00053 0.00002 109 4YY 0.00028 -0.00031 -0.00018 0.00030 -0.00002 110 4ZZ 0.00054 -0.00046 -0.00004 0.00051 -0.00001 111 4XY -0.00178 0.00025 -0.00020 0.00043 0.00007 112 4XZ 0.00022 -0.00043 0.00024 0.00015 -0.00002 113 4YZ 0.00067 0.00026 0.00007 0.00008 -0.00004 114 12 C 1S 0.00417 0.00087 0.00084 -0.00100 0.00013 115 2S 0.00260 -0.00950 0.00063 0.00695 -0.00070 116 2PX -0.00468 -0.00800 0.00068 -0.00653 -0.00054 117 2PY -0.00354 0.00668 -0.00534 0.00313 0.00032 118 2PZ 0.01629 0.00037 0.00212 0.00013 -0.00035 119 3S -0.02205 0.00990 -0.01203 -0.00810 -0.00027 120 3PX -0.00577 -0.00764 0.00555 -0.00206 -0.00061 121 3PY 0.01075 -0.01269 0.00296 0.01200 -0.00014 122 3PZ 0.01418 0.00164 -0.00118 0.00637 -0.00022 123 4XX -0.00127 0.00285 0.00037 -0.00270 0.00027 124 4YY 0.00029 -0.00057 -0.00046 0.00102 -0.00002 125 4ZZ 0.00151 -0.00228 0.00020 0.00155 -0.00012 126 4XY -0.00019 -0.00059 0.00018 0.00056 -0.00002 127 4XZ 0.00050 -0.00134 -0.00030 0.00155 -0.00009 128 4YZ -0.00001 0.00031 -0.00001 -0.00033 0.00000 129 13 C 1S -0.00302 0.00391 0.00036 -0.00479 0.00039 130 2S 0.00783 -0.00955 -0.00119 0.00936 -0.00038 131 2PX -0.00133 0.00212 -0.00402 0.00351 0.00086 132 2PY 0.00365 -0.00074 0.00360 -0.00254 -0.00007 133 2PZ -0.01229 0.01197 -0.00175 -0.00680 0.00102 134 3S 0.00764 -0.02368 -0.00329 0.01703 -0.00092 135 3PX -0.00274 0.00319 -0.00886 0.00549 0.00070 136 3PY 0.00055 -0.00614 0.00121 0.00421 0.00017 137 3PZ -0.01042 0.00362 -0.00583 -0.00022 0.00061 138 4XX -0.00035 0.00055 0.00000 -0.00026 0.00007 139 4YY 0.00020 0.00032 -0.00020 -0.00007 -0.00005 140 4ZZ -0.00016 0.00000 0.00047 -0.00093 -0.00002 141 4XY 0.00093 -0.00060 -0.00006 0.00079 0.00004 142 4XZ 0.00111 -0.00060 -0.00009 0.00110 -0.00003 143 4YZ -0.00109 0.00079 -0.00008 -0.00050 0.00003 144 14 C 1S -0.00116 -0.00096 -0.00086 0.00116 0.00046 145 2S -0.00488 0.00699 -0.00248 -0.00346 -0.00072 146 2PX -0.02703 0.01209 -0.00199 -0.01267 -0.00018 147 2PY 0.00435 -0.00447 -0.00335 0.00584 0.00039 148 2PZ 0.01800 -0.00653 0.00534 -0.00685 0.00000 149 3S -0.02749 0.00876 0.01882 -0.01345 -0.00045 150 3PX -0.01422 0.01047 0.00960 -0.01986 -0.00034 151 3PY 0.00734 -0.01350 -0.00611 0.02006 0.00079 152 3PZ 0.00314 0.01960 0.01099 -0.03600 -0.00089 153 4XX -0.00059 -0.00078 0.00013 0.00032 -0.00003 154 4YY 0.00044 -0.00045 -0.00037 0.00083 -0.00008 155 4ZZ -0.00016 0.00192 0.00007 -0.00189 0.00010 156 4XY 0.00080 -0.00051 0.00004 0.00072 0.00001 157 4XZ -0.00116 -0.00034 -0.00063 0.00109 -0.00016 158 4YZ -0.00073 0.00011 -0.00034 0.00072 0.00002 159 15 C 1S -0.00560 -0.00393 -0.00167 0.00724 0.00024 160 2S -0.00091 0.01000 0.00082 -0.00760 -0.00022 161 2PX -0.01760 0.05169 0.00515 -0.04912 0.00249 162 2PY -0.00057 0.01067 -0.00137 -0.01409 0.00102 163 2PZ -0.01791 -0.01445 -0.00723 0.03125 -0.00083 164 3S 0.00112 0.04691 0.02465 -0.06962 -0.00102 165 3PX 0.00864 0.02864 -0.00708 -0.02555 0.00166 166 3PY 0.00729 0.02789 0.00347 -0.04139 -0.00027 167 3PZ 0.00832 -0.02875 -0.01326 0.04031 -0.00089 168 4XX -0.00246 -0.00148 -0.00033 0.00128 0.00033 169 4YY 0.00011 -0.00020 0.00005 0.00055 -0.00011 170 4ZZ 0.00027 0.00035 0.00008 0.00015 -0.00007 171 4XY -0.00047 0.00083 -0.00030 -0.00014 0.00008 172 4XZ 0.00070 -0.00011 0.00019 -0.00076 -0.00020 173 4YZ -0.00070 0.00009 -0.00017 0.00036 0.00001 174 16 H 1S -0.00398 0.00455 -0.00079 -0.00269 0.00028 175 2S -0.00954 0.00836 -0.00169 -0.00184 0.00063 176 17 H 1S 0.00234 -0.00114 0.00026 -0.00126 -0.00010 177 2S 0.00493 -0.00489 0.00317 -0.00198 -0.00028 178 18 H 1S -0.00284 0.00000 -0.00403 0.00529 -0.00014 179 2S -0.00272 0.00714 -0.00308 0.00040 0.00008 180 19 H 1S 0.00245 0.00061 -0.00185 0.00296 0.00050 181 2S 0.01129 0.00768 0.00727 -0.00400 0.00018 182 20 H 1S -0.01335 -0.00015 -0.00175 -0.00079 -0.00054 183 2S 0.00935 -0.02981 -0.02635 0.04876 0.00006 184 21 H 1S 0.00162 0.00071 0.00216 0.00107 -0.00078 185 2S 0.01044 -0.00212 -0.00530 0.00268 -0.00088 186 22 H 1S -0.00618 0.00336 0.00131 -0.00539 0.00001 187 2S -0.01248 0.01546 0.00143 -0.01641 0.00042 188 23 H 1S 0.01642 -0.00081 0.00446 -0.00560 0.00021 189 2S 0.01706 -0.00079 0.00283 -0.00444 0.00130 26 27 28 29 30 26 4YY 0.00294 27 4ZZ -0.00023 0.00079 28 4XY -0.00030 0.00034 0.00161 29 4XZ -0.00005 0.00011 -0.00008 0.00045 30 4YZ -0.00015 -0.00019 0.00006 -0.00028 0.00151 31 3 C 1S -0.00712 0.00033 -0.00305 -0.00130 -0.00368 32 2S 0.01321 -0.00064 0.00577 0.00169 0.00688 33 2PX -0.01103 -0.00019 0.00350 0.00298 -0.00514 34 2PY -0.01050 0.00109 -0.00262 -0.00092 -0.00522 35 2PZ -0.01121 0.00932 -0.00410 0.00265 0.00219 36 3S 0.00987 0.00118 0.00446 0.00062 0.00523 37 3PX -0.00395 -0.00003 0.00213 0.00170 -0.00267 38 3PY -0.00111 -0.00049 -0.00188 0.00024 -0.00254 39 3PZ -0.00408 0.00221 -0.00299 0.00123 0.00263 40 4XX -0.00003 -0.00048 -0.00079 0.00011 0.00001 41 4YY -0.00031 -0.00042 0.00053 -0.00031 0.00060 42 4ZZ 0.00013 0.00081 0.00004 0.00027 -0.00083 43 4XY 0.00082 -0.00036 -0.00053 0.00012 0.00065 44 4XZ 0.00098 -0.00037 -0.00029 -0.00004 -0.00020 45 4YZ 0.00102 -0.00007 0.00044 0.00032 -0.00038 46 4 C 1S 0.00139 0.00102 0.00070 -0.00006 0.00092 47 2S -0.00234 -0.00120 -0.00154 0.00020 -0.00213 48 2PX -0.00091 0.00256 -0.00303 0.00117 -0.00170 49 2PY 0.00258 0.00250 0.00608 -0.00136 0.00473 50 2PZ 0.00125 -0.00056 0.00086 0.00027 -0.00040 51 3S -0.00668 -0.00190 0.00119 -0.00024 -0.00089 52 3PX -0.00009 0.00056 -0.00307 0.00084 -0.00049 53 3PY 0.00370 0.00107 0.00152 0.00009 0.00056 54 3PZ 0.00190 -0.00081 0.00019 0.00043 -0.00013 55 4XX 0.00012 0.00028 0.00034 -0.00007 0.00012 56 4YY 0.00005 -0.00010 -0.00045 0.00027 -0.00028 57 4ZZ 0.00004 -0.00004 0.00018 -0.00014 0.00037 58 4XY -0.00039 0.00010 0.00033 -0.00002 0.00037 59 4XZ 0.00013 -0.00003 0.00009 -0.00007 0.00016 60 4YZ -0.00029 0.00046 0.00023 0.00020 -0.00002 61 5 H 1S 0.00010 0.00617 0.00032 0.00215 0.00169 62 2S -0.00145 0.00636 0.00176 0.00178 -0.00307 63 6 H 1S -0.00047 -0.00214 0.00191 0.00194 0.00018 64 2S -0.00281 -0.00286 -0.00179 0.00098 0.00080 65 7 O 1S 0.00035 -0.00024 -0.00079 0.00022 -0.00075 66 2S -0.00120 0.00068 0.00193 -0.00068 0.00177 67 2PX 0.00051 -0.00158 0.00037 -0.00132 -0.00020 68 2PY -0.00223 0.00197 -0.00332 0.00299 -0.00194 69 2PZ 0.00072 -0.00342 -0.00069 -0.00072 0.00060 70 3S -0.00514 0.00135 0.00244 -0.00058 0.00257 71 3PX -0.00009 -0.00074 -0.00008 -0.00070 0.00036 72 3PY -0.00014 0.00094 -0.00244 0.00179 -0.00155 73 3PZ -0.00021 -0.00229 -0.00041 -0.00023 0.00015 74 4XX -0.00026 -0.00004 0.00010 0.00005 0.00000 75 4YY 0.00085 -0.00029 0.00011 -0.00015 0.00014 76 4ZZ -0.00029 0.00025 -0.00002 0.00008 -0.00004 77 4XY -0.00011 0.00002 -0.00029 -0.00001 -0.00012 78 4XZ -0.00015 0.00008 0.00001 0.00004 -0.00002 79 4YZ -0.00014 0.00004 -0.00012 0.00002 -0.00034 80 8 H 1S 0.00060 -0.00074 0.00076 -0.00092 0.00110 81 2S 0.00203 -0.00140 -0.00066 -0.00084 0.00143 82 9 H 1S 0.00091 0.00570 0.00313 0.00366 0.00319 83 2S 0.00185 0.00403 0.00327 0.00123 0.00428 84 10 C 1S -0.00033 -0.00035 0.00003 0.00017 -0.00007 85 2S -0.00005 0.00000 -0.00064 0.00006 -0.00021 86 2PX -0.00142 -0.00131 -0.00059 0.00018 -0.00132 87 2PY -0.00003 -0.00040 0.00017 -0.00001 -0.00016 88 2PZ 0.00070 0.00115 -0.00032 0.00009 0.00089 89 3S -0.00216 -0.00044 0.00004 -0.00101 0.00163 90 3PX -0.00173 -0.00103 -0.00020 -0.00032 -0.00030 91 3PY 0.00044 -0.00032 0.00066 -0.00012 -0.00037 92 3PZ 0.00007 0.00067 -0.00002 -0.00034 0.00151 93 4XX 0.00000 -0.00012 0.00009 -0.00002 -0.00002 94 4YY 0.00002 0.00001 -0.00007 0.00001 0.00000 95 4ZZ 0.00003 0.00007 -0.00009 0.00003 0.00006 96 4XY 0.00000 0.00009 -0.00006 0.00001 0.00002 97 4XZ -0.00002 0.00001 0.00000 -0.00002 0.00001 98 4YZ 0.00005 -0.00008 0.00010 -0.00002 -0.00002 99 11 C 1S 0.00004 0.00015 0.00003 0.00002 0.00002 100 2S 0.00005 -0.00011 -0.00009 -0.00004 -0.00009 101 2PX -0.00045 0.00128 -0.00141 0.00042 0.00003 102 2PY 0.00012 0.00009 0.00026 -0.00002 0.00013 103 2PZ 0.00073 -0.00096 0.00123 -0.00035 -0.00002 104 3S 0.00033 -0.00011 -0.00099 0.00059 -0.00005 105 3PX -0.00017 0.00105 -0.00170 0.00058 0.00005 106 3PY -0.00018 -0.00029 0.00061 -0.00016 -0.00005 107 3PZ 0.00088 -0.00081 0.00083 -0.00001 -0.00032 108 4XX 0.00002 0.00007 0.00003 0.00001 0.00003 109 4YY -0.00002 -0.00002 -0.00003 0.00000 -0.00002 110 4ZZ -0.00004 -0.00003 -0.00003 0.00000 0.00000 111 4XY 0.00007 0.00009 0.00002 -0.00001 0.00006 112 4XZ 0.00000 0.00001 -0.00002 0.00001 0.00000 113 4YZ -0.00003 -0.00008 0.00001 -0.00001 -0.00005 114 12 C 1S -0.00035 -0.00059 -0.00006 -0.00001 0.00000 115 2S 0.00001 0.00049 -0.00032 0.00012 0.00005 116 2PX 0.00039 0.00161 0.00006 0.00024 0.00046 117 2PY -0.00001 -0.00047 -0.00005 -0.00009 -0.00022 118 2PZ -0.00100 -0.00143 -0.00023 -0.00015 -0.00048 119 3S -0.00009 0.00112 0.00078 -0.00042 0.00012 120 3PX 0.00059 0.00155 0.00003 0.00039 0.00021 121 3PY 0.00005 -0.00034 -0.00066 0.00024 0.00012 122 3PZ -0.00109 -0.00116 -0.00012 -0.00009 -0.00030 123 4XX 0.00006 -0.00011 0.00012 -0.00002 0.00002 124 4YY -0.00002 -0.00001 -0.00005 0.00001 0.00000 125 4ZZ -0.00004 0.00003 -0.00008 0.00002 0.00004 126 4XY 0.00003 0.00002 -0.00001 0.00000 0.00001 127 4XZ -0.00004 0.00003 -0.00007 0.00001 -0.00002 128 4YZ 0.00001 -0.00001 0.00001 0.00000 -0.00002 129 13 C 1S 0.00020 0.00013 0.00012 -0.00004 -0.00012 130 2S -0.00039 0.00006 -0.00032 0.00003 0.00006 131 2PX -0.00015 -0.00014 0.00017 -0.00017 -0.00007 132 2PY -0.00010 -0.00042 0.00007 -0.00007 -0.00019 133 2PZ 0.00069 -0.00005 0.00049 -0.00004 0.00002 134 3S -0.00005 0.00064 -0.00066 0.00026 0.00011 135 3PX -0.00042 -0.00017 0.00030 -0.00021 0.00039 136 3PY -0.00011 -0.00046 -0.00028 -0.00025 0.00016 137 3PZ 0.00010 0.00006 0.00015 -0.00019 0.00026 138 4XX 0.00001 -0.00005 0.00001 -0.00001 0.00000 139 4YY -0.00003 0.00001 0.00001 -0.00001 -0.00005 140 4ZZ 0.00003 0.00004 0.00001 0.00001 0.00000 141 4XY 0.00000 -0.00004 -0.00002 0.00005 0.00005 142 4XZ -0.00006 -0.00004 -0.00002 -0.00001 -0.00002 143 4YZ 0.00005 0.00005 0.00005 -0.00001 -0.00001 144 14 C 1S 0.00040 0.00021 -0.00008 0.00030 0.00031 145 2S -0.00042 0.00056 0.00060 -0.00048 -0.00067 146 2PX -0.00023 0.00142 0.00078 -0.00179 -0.00146 147 2PY -0.00003 -0.00010 -0.00045 0.00033 0.00046 148 2PZ -0.00064 -0.00159 -0.00066 0.00045 -0.00005 149 3S 0.00149 -0.00030 0.00034 -0.00070 -0.00142 150 3PX 0.00081 0.00048 0.00029 -0.00073 -0.00148 151 3PY -0.00051 -0.00047 -0.00084 -0.00010 0.00139 152 3PZ 0.00054 -0.00017 0.00070 0.00054 -0.00194 153 4XX -0.00002 0.00005 -0.00005 -0.00003 0.00000 154 4YY -0.00001 0.00006 -0.00001 0.00002 -0.00001 155 4ZZ 0.00000 -0.00010 0.00010 0.00001 -0.00001 156 4XY 0.00003 -0.00003 -0.00004 0.00007 0.00006 157 4XZ 0.00000 0.00024 0.00003 -0.00005 -0.00007 158 4YZ 0.00004 0.00005 0.00002 -0.00001 0.00002 159 15 C 1S 0.00041 0.00077 -0.00030 0.00009 0.00035 160 2S 0.00028 -0.00013 0.00069 -0.00043 -0.00059 161 2PX 0.00014 -0.00221 0.00263 -0.00078 -0.00104 162 2PY -0.00053 -0.00025 0.00048 -0.00003 0.00015 163 2PZ 0.00077 0.00242 -0.00036 0.00006 0.00079 164 3S 0.00234 0.00015 0.00189 0.00061 -0.00343 165 3PX -0.00115 -0.00189 0.00172 -0.00060 -0.00027 166 3PY 0.00011 0.00022 0.00110 0.00050 -0.00176 167 3PZ -0.00071 0.00145 -0.00119 0.00008 0.00116 168 4XX -0.00001 -0.00001 -0.00010 -0.00002 0.00021 169 4YY 0.00002 -0.00003 -0.00001 -0.00003 -0.00004 170 4ZZ -0.00005 -0.00002 0.00005 0.00000 0.00000 171 4XY -0.00002 -0.00004 0.00003 -0.00003 0.00003 172 4XZ 0.00001 0.00007 -0.00002 -0.00005 -0.00017 173 4YZ 0.00004 0.00006 0.00002 0.00000 0.00002 174 16 H 1S 0.00012 0.00003 0.00020 -0.00012 0.00002 175 2S 0.00018 -0.00002 0.00051 -0.00021 0.00026 176 17 H 1S -0.00015 0.00007 -0.00012 0.00005 0.00001 177 2S 0.00000 0.00022 -0.00030 0.00015 0.00001 178 18 H 1S 0.00004 0.00006 -0.00017 0.00000 -0.00008 179 2S -0.00003 -0.00024 0.00002 -0.00006 -0.00028 180 19 H 1S -0.00015 -0.00026 0.00004 -0.00001 -0.00004 181 2S 0.00006 -0.00050 0.00018 0.00031 -0.00058 182 20 H 1S -0.00055 0.00098 0.00014 -0.00117 -0.00064 183 2S -0.00277 0.00098 -0.00087 -0.00114 0.00220 184 21 H 1S 0.00045 -0.00011 0.00008 -0.00013 -0.00054 185 2S -0.00030 0.00018 -0.00009 0.00014 -0.00048 186 22 H 1S 0.00039 0.00029 0.00021 -0.00001 0.00001 187 2S 0.00062 0.00048 0.00079 -0.00008 -0.00007 188 23 H 1S -0.00032 -0.00157 -0.00023 0.00065 0.00028 189 2S -0.00042 -0.00217 -0.00037 0.00047 0.00097 31 32 33 34 35 31 3 C 1S 2.04980 32 2S -0.06512 0.34291 33 2PX -0.01454 0.02587 0.42805 34 2PY 0.00000 0.00000 0.00000 0.29269 35 2PZ -0.01514 0.02464 -0.04321 -0.00002 0.42488 36 3S -0.14988 0.26010 0.04456 -0.00001 0.05595 37 3PX -0.00856 0.01867 0.15540 0.00000 -0.01404 38 3PY 0.00000 0.00000 0.00000 0.07096 -0.00001 39 3PZ -0.01236 0.02305 -0.00828 -0.00001 0.14519 40 4XX -0.01782 0.00026 0.02406 0.00000 -0.00911 41 4YY -0.01312 -0.01025 -0.01562 0.00001 -0.01616 42 4ZZ -0.01764 -0.00043 -0.01021 -0.00001 0.02326 43 4XY 0.00000 0.00000 0.00000 -0.02088 0.00000 44 4XZ 0.00060 -0.00098 -0.01140 0.00000 -0.01234 45 4YZ 0.00000 0.00000 0.00000 -0.02050 -0.00001 46 4 C 1S -0.00316 0.00672 -0.01114 0.00217 -0.00866 47 2S 0.00630 -0.01756 0.02806 -0.00474 0.02121 48 2PX 0.00913 -0.02190 0.02079 -0.03532 0.03431 49 2PY -0.01013 0.03218 -0.01614 -0.02088 -0.02129 50 2PZ 0.00381 -0.01021 0.02271 -0.03815 0.00269 51 3S 0.00669 -0.01117 0.04028 0.01437 0.03383 52 3PX 0.00601 -0.01084 0.01474 -0.02863 0.02619 53 3PY -0.00710 0.01566 -0.00224 -0.02780 -0.00358 54 3PZ 0.00104 0.00196 0.01112 -0.02414 -0.00501 55 4XX -0.00035 0.00108 -0.00362 -0.00023 -0.00250 56 4YY 0.00097 -0.00241 0.00310 -0.00266 0.00292 57 4ZZ -0.00113 0.00264 -0.00371 0.00408 -0.00353 58 4XY 0.00146 -0.00346 0.00387 -0.00847 0.00433 59 4XZ -0.00001 0.00075 -0.00315 0.00029 -0.00327 60 4YZ 0.00168 -0.00394 0.00431 -0.00716 0.00376 61 5 H 1S -0.05992 0.12294 -0.07218 -0.00003 0.26773 62 2S -0.01152 0.03386 -0.08280 -0.00002 0.21788 63 6 H 1S -0.05970 0.12411 0.27099 0.00001 -0.06517 64 2S -0.01231 0.03559 0.21706 0.00001 -0.07286 65 7 O 1S 0.00354 -0.00182 0.01529 -0.02798 0.01501 66 2S -0.00656 0.00256 -0.03725 0.06679 -0.03598 67 2PX -0.02523 0.05125 -0.05310 0.12288 -0.05822 68 2PY 0.05976 -0.13130 0.13978 -0.22001 0.14521 69 2PZ -0.02422 0.04939 -0.05326 0.13956 -0.05260 70 3S 0.02100 -0.05475 -0.02476 0.03596 -0.02664 71 3PX -0.00730 0.01639 -0.03747 0.04930 -0.01732 72 3PY 0.03520 -0.07588 0.08012 -0.13393 0.08591 73 3PZ -0.00646 0.01411 -0.01330 0.06659 -0.03963 74 4XX 0.00031 -0.00092 0.00985 -0.00249 0.00035 75 4YY -0.00712 0.01322 -0.01103 0.01051 -0.01121 76 4ZZ 0.00033 -0.00064 -0.00019 -0.00109 0.00932 77 4XY 0.00305 -0.00577 -0.00350 -0.00263 0.00410 78 4XZ -0.00130 0.00169 0.00298 0.00092 0.00265 79 4YZ 0.00368 -0.00687 0.00514 -0.00522 -0.00220 80 8 H 1S -0.00735 0.02026 -0.01911 0.03007 -0.01935 81 2S -0.00777 0.02246 -0.02697 0.03202 -0.03246 82 9 H 1S -0.00735 0.02026 -0.01911 -0.03006 -0.01936 83 2S -0.00777 0.02246 -0.02697 -0.03201 -0.03247 84 10 C 1S -0.00034 0.00067 -0.00090 -0.00109 0.00032 85 2S 0.00050 -0.00179 0.00227 0.00156 0.00002 86 2PX 0.00186 -0.00524 0.00497 0.00104 0.00697 87 2PY -0.00057 0.00022 -0.00063 -0.00156 0.00135 88 2PZ -0.00048 0.00168 -0.00143 0.00200 -0.00802 89 3S 0.00279 -0.00557 0.01185 0.00972 -0.00517 90 3PX 0.00243 -0.00495 0.00675 0.00404 0.00460 91 3PY -0.00033 0.00172 -0.00378 -0.00215 0.00089 92 3PZ -0.00011 0.00178 -0.00028 0.00347 -0.00843 93 4XX -0.00014 0.00027 -0.00038 -0.00024 -0.00017 94 4YY -0.00001 -0.00017 0.00030 -0.00004 0.00010 95 4ZZ -0.00005 0.00000 0.00020 -0.00020 0.00011 96 4XY 0.00008 -0.00016 0.00013 -0.00006 0.00029 97 4XZ 0.00009 -0.00011 0.00023 0.00024 0.00014 98 4YZ -0.00010 0.00026 -0.00037 -0.00019 -0.00024 99 11 C 1S -0.00034 0.00067 -0.00090 0.00109 0.00032 100 2S 0.00050 -0.00179 0.00227 -0.00156 0.00003 101 2PX 0.00186 -0.00525 0.00497 -0.00104 0.00697 102 2PY 0.00057 -0.00021 0.00063 -0.00156 -0.00135 103 2PZ -0.00048 0.00168 -0.00143 -0.00200 -0.00801 104 3S 0.00279 -0.00557 0.01185 -0.00972 -0.00518 105 3PX 0.00243 -0.00496 0.00676 -0.00404 0.00459 106 3PY 0.00033 -0.00172 0.00379 -0.00215 -0.00088 107 3PZ -0.00011 0.00179 -0.00028 -0.00346 -0.00843 108 4XX -0.00014 0.00027 -0.00038 0.00024 -0.00017 109 4YY -0.00001 -0.00017 0.00030 0.00004 0.00010 110 4ZZ -0.00005 0.00000 0.00020 0.00020 0.00011 111 4XY -0.00008 0.00016 -0.00013 -0.00006 -0.00029 112 4XZ 0.00009 -0.00011 0.00023 -0.00024 0.00014 113 4YZ 0.00010 -0.00026 0.00037 -0.00019 0.00024 114 12 C 1S 0.00031 -0.00014 0.00106 -0.00029 -0.00089 115 2S 0.00016 0.00012 -0.00104 0.00035 0.00172 116 2PX -0.00230 0.00528 -0.00789 0.00361 -0.00117 117 2PY 0.00028 -0.00125 0.00129 0.00069 0.00103 118 2PZ 0.00028 -0.00036 0.00106 0.00186 0.00274 119 3S -0.00427 0.00569 -0.01577 0.00790 0.01037 120 3PX -0.00077 0.00091 -0.00103 -0.00267 -0.00060 121 3PY 0.00191 -0.00097 0.00453 0.00141 -0.00641 122 3PZ 0.00078 -0.00391 0.00865 -0.00228 0.00421 123 4XX 0.00004 0.00020 0.00021 -0.00035 -0.00101 124 4YY 0.00013 -0.00018 0.00006 0.00002 0.00037 125 4ZZ 0.00003 0.00009 -0.00010 0.00026 0.00014 126 4XY 0.00003 0.00003 -0.00012 -0.00017 0.00013 127 4XZ 0.00016 -0.00059 0.00040 -0.00029 0.00018 128 4YZ 0.00007 -0.00011 0.00005 -0.00002 -0.00016 129 13 C 1S -0.00065 0.00156 -0.00190 -0.00001 0.00281 130 2S 0.00137 -0.00373 0.00417 -0.00041 -0.00423 131 2PX 0.00329 -0.00907 0.00787 -0.00185 -0.01835 132 2PY 0.00005 0.00032 -0.00096 0.00005 -0.00433 133 2PZ 0.00042 -0.00083 0.00238 -0.00246 -0.00496 134 3S 0.00215 -0.00212 0.00324 0.00569 -0.01753 135 3PX 0.00092 -0.00275 0.00254 -0.00021 -0.00968 136 3PY 0.00061 -0.00100 0.00028 -0.00102 -0.00548 137 3PZ -0.00086 0.00004 -0.00164 -0.00025 0.00069 138 4XX -0.00002 -0.00013 -0.00008 -0.00010 -0.00011 139 4YY 0.00007 -0.00026 0.00029 0.00006 0.00016 140 4ZZ -0.00007 0.00031 -0.00045 0.00004 0.00025 141 4XY 0.00013 -0.00022 0.00040 -0.00023 -0.00062 142 4XZ 0.00031 -0.00060 0.00058 -0.00013 -0.00055 143 4YZ -0.00004 0.00002 -0.00003 -0.00015 -0.00015 144 14 C 1S -0.00065 0.00156 -0.00190 0.00001 0.00281 145 2S 0.00137 -0.00373 0.00417 0.00041 -0.00423 146 2PX 0.00330 -0.00908 0.00788 0.00186 -0.01836 147 2PY -0.00005 -0.00032 0.00096 0.00005 0.00433 148 2PZ 0.00042 -0.00083 0.00238 0.00246 -0.00495 149 3S 0.00215 -0.00212 0.00324 -0.00568 -0.01753 150 3PX 0.00092 -0.00275 0.00254 0.00022 -0.00969 151 3PY -0.00061 0.00100 -0.00028 -0.00103 0.00548 152 3PZ -0.00086 0.00004 -0.00164 0.00025 0.00069 153 4XX -0.00002 -0.00013 -0.00008 0.00010 -0.00011 154 4YY 0.00007 -0.00026 0.00029 -0.00006 0.00016 155 4ZZ -0.00007 0.00031 -0.00045 -0.00004 0.00026 156 4XY -0.00013 0.00022 -0.00040 -0.00023 0.00062 157 4XZ 0.00031 -0.00060 0.00058 0.00013 -0.00055 158 4YZ 0.00004 -0.00002 0.00003 -0.00015 0.00015 159 15 C 1S 0.00031 -0.00014 0.00106 0.00028 -0.00089 160 2S 0.00016 0.00012 -0.00104 -0.00035 0.00172 161 2PX -0.00230 0.00528 -0.00789 -0.00361 -0.00116 162 2PY -0.00028 0.00125 -0.00129 0.00069 -0.00103 163 2PZ 0.00028 -0.00036 0.00106 -0.00187 0.00274 164 3S -0.00427 0.00569 -0.01578 -0.00789 0.01037 165 3PX -0.00077 0.00092 -0.00104 0.00267 -0.00059 166 3PY -0.00191 0.00097 -0.00453 0.00141 0.00641 167 3PZ 0.00078 -0.00391 0.00864 0.00227 0.00421 168 4XX 0.00004 0.00020 0.00021 0.00035 -0.00101 169 4YY 0.00013 -0.00018 0.00006 -0.00002 0.00037 170 4ZZ 0.00003 0.00009 -0.00010 -0.00026 0.00014 171 4XY -0.00003 -0.00003 0.00012 -0.00017 -0.00013 172 4XZ 0.00016 -0.00059 0.00040 0.00029 0.00018 173 4YZ -0.00007 0.00011 -0.00005 -0.00002 0.00016 174 16 H 1S 0.00003 0.00031 -0.00016 -0.00010 0.00118 175 2S -0.00020 0.00145 -0.00178 -0.00108 0.00027 176 17 H 1S 0.00003 0.00031 -0.00016 0.00010 0.00118 177 2S -0.00020 0.00145 -0.00178 0.00108 0.00026 178 18 H 1S 0.00003 -0.00057 -0.00048 0.00079 0.00234 179 2S 0.00032 -0.00251 0.00236 -0.00311 0.00527 180 19 H 1S 0.00189 -0.00551 0.00398 -0.00120 -0.00843 181 2S 0.00272 -0.00661 0.00748 -0.00477 -0.00090 182 20 H 1S 0.00189 -0.00552 0.00399 0.00120 -0.00844 183 2S 0.00272 -0.00662 0.00748 0.00478 -0.00091 184 21 H 1S 0.00003 -0.00057 -0.00048 -0.00079 0.00233 185 2S 0.00032 -0.00250 0.00236 0.00310 0.00527 186 22 H 1S -0.00112 0.00309 -0.00253 -0.00028 0.00309 187 2S -0.00173 0.00488 -0.00484 -0.00067 0.00346 188 23 H 1S -0.00112 0.00310 -0.00253 0.00028 0.00309 189 2S -0.00173 0.00488 -0.00484 0.00067 0.00346 36 37 38 39 40 36 3S 0.23348 37 3PX 0.01604 0.06207 38 3PY 0.00000 0.00000 0.02606 39 3PZ 0.02154 -0.00376 0.00000 0.06494 40 4XX 0.00239 0.00681 0.00000 0.00048 0.00335 41 4YY -0.01289 -0.00513 0.00000 -0.00463 -0.00124 42 4ZZ 0.00319 -0.00205 0.00000 0.00357 -0.00166 43 4XY 0.00000 0.00000 -0.00389 0.00000 0.00000 44 4XZ -0.00369 -0.00377 0.00000 -0.00400 -0.00011 45 4YZ 0.00000 0.00000 -0.00288 0.00000 0.00000 46 4 C 1S 0.00988 -0.00779 0.00139 -0.00626 -0.00162 47 2S -0.01226 0.01317 -0.00393 0.01180 0.00400 48 2PX -0.04432 0.01209 -0.03155 0.03283 0.00735 49 2PY 0.05397 -0.01700 -0.00043 -0.02178 0.00167 50 2PZ -0.00799 0.01128 -0.03294 -0.00871 0.00611 51 3S 0.00698 0.01714 0.00616 0.00195 0.00033 52 3PX -0.01789 0.00544 -0.00959 0.02106 0.00299 53 3PY 0.02482 -0.00312 -0.00233 -0.01080 -0.00046 54 3PZ 0.01202 0.00396 -0.00879 -0.01370 0.00146 55 4XX -0.00051 0.00005 -0.00246 -0.00320 -0.00073 56 4YY -0.00181 0.00128 0.00101 0.00132 -0.00007 57 4ZZ 0.00211 -0.00287 0.00153 0.00096 0.00058 58 4XY -0.00259 0.00192 -0.00349 0.00042 -0.00016 59 4XZ -0.00120 -0.00119 -0.00166 0.00022 0.00060 60 4YZ -0.00486 0.00177 -0.00356 0.00290 0.00033 61 5 H 1S 0.11640 -0.01756 -0.00001 0.08283 -0.01122 62 2S 0.04307 -0.01695 -0.00001 0.04488 -0.01622 63 6 H 1S 0.10660 0.09600 0.00000 -0.00314 0.02033 64 2S 0.03009 0.06961 0.00000 0.00211 0.02111 65 7 O 1S 0.02924 -0.00403 -0.00234 -0.00333 0.00248 66 2S -0.07390 0.00862 0.00203 0.00686 -0.00540 67 2PX 0.03114 0.00240 0.04749 -0.06072 -0.02408 68 2PY -0.09641 0.05244 -0.01938 0.05203 -0.00102 69 2PZ 0.02270 -0.04080 0.06255 0.03542 0.00833 70 3S -0.13767 0.01708 -0.00630 0.01928 -0.00775 71 3PX 0.00867 0.00190 0.02068 -0.03708 -0.01644 72 3PY -0.05609 0.03030 -0.00873 0.03010 -0.00130 73 3PZ -0.00201 -0.02003 0.03358 0.02611 0.00819 74 4XX 0.00126 0.00281 -0.00039 0.00025 0.00094 75 4YY 0.00987 -0.00395 0.00112 -0.00408 -0.00003 76 4ZZ 0.00118 -0.00003 0.00049 0.00221 -0.00048 77 4XY -0.00446 -0.00214 -0.00188 0.00299 0.00079 78 4XZ 0.00061 0.00170 -0.00024 0.00123 0.00011 79 4YZ -0.00523 0.00267 -0.00254 -0.00263 -0.00001 80 8 H 1S 0.02999 -0.01339 0.02408 -0.00664 -0.00057 81 2S 0.02717 -0.01775 0.02345 -0.00697 0.00090 82 9 H 1S 0.02999 -0.01339 -0.02407 -0.00664 -0.00057 83 2S 0.02717 -0.01775 -0.02345 -0.00698 0.00090 84 10 C 1S 0.00165 0.00030 -0.00028 -0.00027 -0.00023 85 2S -0.00332 -0.00055 0.00057 0.00123 0.00067 86 2PX -0.01102 0.00236 0.00142 0.01152 0.00161 87 2PY 0.00436 -0.00139 -0.00024 0.00191 -0.00012 88 2PZ 0.00234 -0.00356 -0.00167 -0.00961 -0.00048 89 3S -0.00761 0.00088 -0.00171 0.00308 0.00205 90 3PX -0.00954 0.00233 0.00068 0.01175 0.00194 91 3PY 0.00351 -0.00134 -0.00043 0.00035 -0.00033 92 3PZ 0.00352 -0.00239 -0.00243 -0.00791 -0.00015 93 4XX 0.00052 0.00000 0.00004 -0.00057 -0.00011 94 4YY -0.00031 -0.00001 0.00003 0.00029 0.00009 95 4ZZ -0.00026 0.00012 -0.00003 0.00067 0.00013 96 4XY -0.00027 0.00013 -0.00009 0.00046 0.00005 97 4XZ -0.00021 0.00011 0.00008 0.00021 0.00004 98 4YZ 0.00048 -0.00014 0.00011 -0.00057 -0.00009 99 11 C 1S 0.00165 0.00030 0.00028 -0.00027 -0.00023 100 2S -0.00332 -0.00055 -0.00057 0.00123 0.00067 101 2PX -0.01102 0.00236 -0.00142 0.01152 0.00161 102 2PY -0.00436 0.00139 -0.00024 -0.00190 0.00012 103 2PZ 0.00234 -0.00356 0.00168 -0.00960 -0.00048 104 3S -0.00761 0.00088 0.00171 0.00308 0.00206 105 3PX -0.00954 0.00233 -0.00068 0.01175 0.00194 106 3PY -0.00351 0.00135 -0.00043 -0.00035 0.00033 107 3PZ 0.00352 -0.00239 0.00243 -0.00791 -0.00015 108 4XX 0.00052 0.00000 -0.00004 -0.00058 -0.00011 109 4YY -0.00031 -0.00001 -0.00003 0.00029 0.00009 110 4ZZ -0.00026 0.00012 0.00003 0.00067 0.00013 111 4XY 0.00027 -0.00013 -0.00009 -0.00046 -0.00005 112 4XZ -0.00021 0.00011 -0.00008 0.00021 0.00004 113 4YZ -0.00048 0.00014 0.00011 0.00057 0.00009 114 12 C 1S -0.00167 0.00070 0.00010 -0.00012 0.00047 115 2S -0.00067 0.00067 -0.00080 0.00145 -0.00028 116 2PX 0.01412 -0.00054 -0.00120 -0.01063 -0.00260 117 2PY -0.00313 -0.00011 -0.00034 0.00170 0.00032 118 2PZ -0.00049 0.00161 0.00116 0.00866 0.00062 119 3S 0.00771 -0.00049 -0.00407 -0.00685 -0.00398 120 3PX 0.00509 0.00104 -0.00170 -0.00525 -0.00129 121 3PY -0.00322 -0.00155 0.00207 0.00533 0.00246 122 3PZ -0.00671 0.00251 0.00056 0.00993 0.00156 123 4XX 0.00069 -0.00030 0.00023 -0.00113 0.00006 124 4YY -0.00020 -0.00012 -0.00008 0.00041 0.00002 125 4ZZ -0.00002 0.00010 0.00009 0.00050 0.00004 126 4XY -0.00016 -0.00009 -0.00006 0.00026 0.00004 127 4XZ -0.00113 0.00002 -0.00014 0.00024 0.00007 128 4YZ -0.00013 0.00009 0.00004 -0.00028 -0.00002 129 13 C 1S 0.00356 0.00052 -0.00086 0.00189 -0.00032 130 2S -0.00478 -0.00167 0.00110 -0.00207 0.00025 131 2PX -0.01119 -0.00734 0.00496 -0.01920 0.00064 132 2PY -0.00019 0.00476 0.00071 -0.00415 -0.00036 133 2PZ -0.00241 0.00093 -0.00067 -0.00710 0.00001 134 3S -0.00295 -0.00222 0.00041 -0.00572 0.00118 135 3PX -0.00371 -0.00299 -0.00015 -0.01056 -0.00002 136 3PY -0.00052 0.00296 -0.00061 -0.00459 -0.00041 137 3PZ 0.00040 0.00092 -0.00171 -0.00645 -0.00132 138 4XX -0.00031 -0.00023 0.00022 -0.00043 0.00004 139 4YY -0.00036 -0.00004 0.00001 0.00024 0.00000 140 4ZZ 0.00070 0.00033 -0.00011 -0.00014 -0.00014 141 4XY -0.00022 0.00002 0.00030 -0.00032 0.00004 142 4XZ -0.00098 -0.00021 0.00028 -0.00007 0.00008 143 4YZ 0.00006 0.00001 -0.00003 -0.00027 -0.00003 144 14 C 1S 0.00356 0.00052 0.00086 0.00190 -0.00032 145 2S -0.00478 -0.00167 -0.00110 -0.00207 0.00025 146 2PX -0.01119 -0.00735 -0.00496 -0.01921 0.00064 147 2PY 0.00019 -0.00476 0.00071 0.00415 0.00036 148 2PZ -0.00240 0.00093 0.00067 -0.00710 0.00001 149 3S -0.00295 -0.00221 -0.00041 -0.00572 0.00118 150 3PX -0.00371 -0.00300 0.00015 -0.01057 -0.00002 151 3PY 0.00052 -0.00296 -0.00061 0.00459 0.00041 152 3PZ 0.00040 0.00092 0.00171 -0.00645 -0.00132 153 4XX -0.00031 -0.00023 -0.00022 -0.00043 0.00004 154 4YY -0.00036 -0.00004 -0.00001 0.00024 0.00000 155 4ZZ 0.00070 0.00033 0.00011 -0.00014 -0.00014 156 4XY 0.00022 -0.00002 0.00030 0.00032 -0.00004 157 4XZ -0.00098 -0.00021 -0.00028 -0.00007 0.00008 158 4YZ -0.00006 -0.00001 -0.00003 0.00027 0.00003 159 15 C 1S -0.00167 0.00070 -0.00010 -0.00013 0.00047 160 2S -0.00067 0.00067 0.00080 0.00145 -0.00028 161 2PX 0.01412 -0.00054 0.00121 -0.01062 -0.00260 162 2PY 0.00313 0.00011 -0.00034 -0.00169 -0.00032 163 2PZ -0.00049 0.00161 -0.00116 0.00866 0.00062 164 3S 0.00771 -0.00049 0.00407 -0.00685 -0.00398 165 3PX 0.00509 0.00104 0.00170 -0.00525 -0.00129 166 3PY 0.00322 0.00155 0.00207 -0.00533 -0.00246 167 3PZ -0.00671 0.00250 -0.00056 0.00992 0.00156 168 4XX 0.00069 -0.00030 -0.00023 -0.00113 0.00006 169 4YY -0.00020 -0.00012 0.00008 0.00041 0.00002 170 4ZZ -0.00002 0.00010 -0.00009 0.00051 0.00004 171 4XY 0.00016 0.00009 -0.00006 -0.00026 -0.00004 172 4XZ -0.00113 0.00002 0.00014 0.00024 0.00007 173 4YZ 0.00013 -0.00009 0.00004 0.00028 0.00002 174 16 H 1S 0.00015 0.00114 0.00068 0.00049 -0.00009 175 2S 0.00175 0.00061 0.00008 0.00033 -0.00015 176 17 H 1S 0.00015 0.00114 -0.00068 0.00049 -0.00009 177 2S 0.00175 0.00061 -0.00008 0.00033 -0.00015 178 18 H 1S -0.00148 -0.00031 -0.00086 0.00146 -0.00016 179 2S -0.00319 0.00077 -0.00099 0.00220 -0.00032 180 19 H 1S -0.00814 -0.00444 0.00432 -0.00992 0.00060 181 2S -0.01073 -0.00291 0.00731 0.00070 0.00160 182 20 H 1S -0.00814 -0.00445 -0.00432 -0.00993 0.00060 183 2S -0.01073 -0.00291 -0.00731 0.00070 0.00160 184 21 H 1S -0.00148 -0.00031 0.00086 0.00146 -0.00016 185 2S -0.00318 0.00077 0.00099 0.00219 -0.00032 186 22 H 1S 0.00385 0.00343 -0.00247 0.00143 -0.00055 187 2S 0.00721 0.00266 -0.00303 -0.00121 -0.00102 188 23 H 1S 0.00385 0.00343 0.00247 0.00143 -0.00055 189 2S 0.00721 0.00266 0.00303 -0.00120 -0.00102 41 42 43 44 45 41 4YY 0.00343 42 4ZZ -0.00138 0.00350 43 4XY 0.00000 0.00000 0.00248 44 4XZ 0.00051 -0.00014 0.00000 0.00106 45 4YZ 0.00000 0.00000 0.00102 0.00000 0.00274 46 4 C 1S 0.00217 -0.00094 0.00103 -0.00005 0.00000 47 2S -0.00464 0.00176 -0.00239 0.00046 0.00012 48 2PX -0.00888 0.00479 -0.00015 0.00444 -0.00418 49 2PY -0.00517 0.00206 0.00067 -0.00026 0.00250 50 2PZ -0.00719 0.00340 -0.00422 0.00260 0.00145 51 3S -0.00421 0.00360 -0.00110 -0.00244 -0.00005 52 3PX -0.00355 0.00141 0.00345 0.00084 -0.00061 53 3PY -0.00211 0.00190 0.00190 -0.00049 0.00299 54 3PZ -0.00333 0.00199 0.00079 0.00027 0.00240 55 4XX -0.00023 0.00112 0.00018 0.00044 -0.00103 56 4YY 0.00019 -0.00013 0.00054 -0.00030 0.00052 57 4ZZ 0.00040 -0.00110 -0.00069 0.00005 0.00028 58 4XY -0.00003 0.00034 0.00038 -0.00031 0.00013 59 4XZ -0.00024 -0.00016 -0.00063 0.00052 -0.00022 60 4YZ 0.00008 -0.00022 -0.00005 -0.00015 0.00040 61 5 H 1S -0.01262 0.02042 0.00000 -0.00575 0.00000 62 2S -0.00903 0.02417 0.00000 -0.00384 0.00000 63 6 H 1S -0.01191 -0.01176 0.00000 -0.00523 0.00000 64 2S -0.00689 -0.01530 0.00000 -0.00337 0.00000 65 7 O 1S -0.00616 0.00216 0.00391 -0.00149 0.00458 66 2S 0.01471 -0.00417 -0.00924 0.00368 -0.01106 67 2PX 0.01377 0.00781 0.00690 -0.00134 -0.01703 68 2PY 0.00404 -0.00109 0.01985 -0.01286 0.02151 69 2PZ 0.01598 -0.02693 -0.01748 -0.00133 0.00889 70 3S 0.02322 -0.00867 -0.00750 0.00155 -0.00926 71 3PX 0.00749 0.00798 0.00701 -0.00098 -0.01035 72 3PY 0.00300 -0.00068 0.01253 -0.00776 0.01360 73 3PZ 0.00990 -0.01913 -0.01068 -0.00087 0.00787 74 4XX -0.00058 -0.00039 -0.00007 -0.00035 0.00048 75 4YY -0.00031 0.00013 -0.00082 0.00098 -0.00102 76 4ZZ -0.00042 0.00081 0.00036 -0.00037 0.00007 77 4XY -0.00053 -0.00004 -0.00053 0.00029 0.00044 78 4XZ -0.00031 0.00027 -0.00012 -0.00004 -0.00032 79 4YZ -0.00060 0.00083 0.00065 0.00020 -0.00038 80 8 H 1S 0.00081 -0.00195 -0.00002 -0.00069 0.00063 81 2S 0.00129 -0.00371 0.00015 0.00044 0.00038 82 9 H 1S 0.00081 -0.00195 0.00002 -0.00069 -0.00063 83 2S 0.00129 -0.00371 -0.00015 0.00044 -0.00038 84 10 C 1S 0.00009 0.00007 -0.00002 -0.00003 0.00011 85 2S -0.00031 -0.00029 0.00031 0.00015 -0.00011 86 2PX -0.00023 -0.00126 -0.00120 0.00061 0.00132 87 2PY 0.00001 -0.00012 -0.00028 0.00025 0.00029 88 2PZ 0.00004 0.00031 0.00135 -0.00047 -0.00148 89 3S 0.00078 -0.00281 -0.00118 -0.00047 -0.00189 90 3PX 0.00019 -0.00202 -0.00160 0.00030 0.00040 91 3PY -0.00022 0.00042 -0.00109 0.00028 0.00074 92 3PZ 0.00015 -0.00013 0.00084 -0.00039 -0.00206 93 4XX 0.00000 0.00010 -0.00006 -0.00001 0.00009 94 4YY -0.00002 -0.00006 0.00004 0.00002 -0.00003 95 4ZZ 0.00000 -0.00011 0.00008 0.00001 -0.00004 96 4XY -0.00001 -0.00004 0.00006 0.00002 -0.00007 97 4XZ -0.00002 -0.00001 -0.00002 0.00000 -0.00001 98 4YZ -0.00002 0.00009 -0.00010 -0.00001 0.00012 99 11 C 1S 0.00009 0.00007 0.00002 -0.00003 -0.00011 100 2S -0.00031 -0.00029 -0.00031 0.00015 0.00011 101 2PX -0.00023 -0.00126 0.00120 0.00061 -0.00132 102 2PY -0.00001 0.00012 -0.00028 -0.00025 0.00029 103 2PZ 0.00004 0.00031 -0.00135 -0.00047 0.00148 104 3S 0.00078 -0.00281 0.00118 -0.00047 0.00189 105 3PX 0.00019 -0.00202 0.00160 0.00030 -0.00040 106 3PY 0.00022 -0.00042 -0.00109 -0.00028 0.00074 107 3PZ 0.00015 -0.00013 -0.00084 -0.00039 0.00206 108 4XX 0.00000 0.00010 0.00006 -0.00001 -0.00009 109 4YY -0.00002 -0.00006 -0.00004 0.00002 0.00003 110 4ZZ 0.00000 -0.00011 -0.00008 0.00001 0.00004 111 4XY 0.00001 0.00004 0.00006 -0.00002 -0.00007 112 4XZ -0.00002 -0.00001 0.00002 0.00000 0.00001 113 4YZ 0.00002 -0.00009 -0.00010 0.00001 0.00012 114 12 C 1S 0.00012 -0.00034 -0.00036 -0.00011 0.00050 115 2S -0.00014 0.00032 0.00075 0.00015 -0.00078 116 2PX -0.00035 0.00261 0.00234 0.00004 -0.00242 117 2PY 0.00024 -0.00051 -0.00068 0.00017 0.00047 118 2PZ 0.00036 -0.00089 -0.00100 -0.00005 0.00097 119 3S -0.00117 0.00503 0.00072 0.00050 -0.00383 120 3PX 0.00005 0.00109 0.00172 -0.00014 -0.00104 121 3PY 0.00051 -0.00301 -0.00061 0.00009 0.00135 122 3PZ 0.00071 -0.00210 -0.00133 -0.00040 0.00158 123 4XX -0.00003 -0.00004 -0.00015 -0.00006 0.00024 124 4YY 0.00002 -0.00004 0.00002 0.00002 -0.00002 125 4ZZ 0.00002 -0.00008 0.00010 0.00001 -0.00009 126 4XY -0.00003 -0.00001 0.00001 0.00002 0.00000 127 4XZ -0.00003 0.00000 0.00004 0.00002 -0.00009 128 4YZ 0.00000 0.00001 -0.00001 0.00000 0.00001 129 13 C 1S -0.00006 0.00026 -0.00015 0.00001 0.00031 130 2S 0.00027 -0.00041 0.00060 -0.00004 -0.00062 131 2PX 0.00022 -0.00038 0.00009 -0.00050 -0.00027 132 2PY -0.00026 0.00035 0.00014 -0.00006 -0.00019 133 2PZ -0.00012 -0.00005 -0.00029 0.00002 0.00046 134 3S -0.00037 -0.00068 0.00087 0.00079 -0.00189 135 3PX -0.00006 0.00030 0.00002 -0.00006 -0.00109 136 3PY -0.00036 0.00068 0.00095 0.00017 -0.00100 137 3PZ -0.00059 0.00184 0.00079 0.00014 -0.00153 138 4XX -0.00002 -0.00001 -0.00006 -0.00002 0.00005 139 4YY 0.00003 -0.00002 -0.00003 0.00000 0.00004 140 4ZZ -0.00003 0.00014 0.00009 0.00001 -0.00005 141 4XY 0.00002 -0.00004 0.00003 0.00000 -0.00003 142 4XZ 0.00005 -0.00010 -0.00001 -0.00002 0.00002 143 4YZ -0.00002 0.00005 -0.00001 0.00000 0.00002 144 14 C 1S -0.00006 0.00026 0.00015 0.00001 -0.00031 145 2S 0.00027 -0.00041 -0.00060 -0.00004 0.00062 146 2PX 0.00022 -0.00038 -0.00009 -0.00050 0.00027 147 2PY 0.00026 -0.00035 0.00014 0.00006 -0.00019 148 2PZ -0.00012 -0.00005 0.00029 0.00002 -0.00046 149 3S -0.00037 -0.00068 -0.00087 0.00079 0.00190 150 3PX -0.00006 0.00030 -0.00002 -0.00006 0.00109 151 3PY 0.00036 -0.00068 0.00096 -0.00017 -0.00100 152 3PZ -0.00059 0.00184 -0.00079 0.00014 0.00153 153 4XX -0.00002 -0.00001 0.00006 -0.00002 -0.00005 154 4YY 0.00003 -0.00002 0.00003 0.00000 -0.00004 155 4ZZ -0.00003 0.00014 -0.00009 0.00001 0.00005 156 4XY -0.00002 0.00004 0.00003 0.00000 -0.00003 157 4XZ 0.00005 -0.00010 0.00001 -0.00002 -0.00002 158 4YZ 0.00002 -0.00005 -0.00001 0.00000 0.00002 159 15 C 1S 0.00012 -0.00034 0.00036 -0.00011 -0.00050 160 2S -0.00014 0.00032 -0.00075 0.00015 0.00078 161 2PX -0.00035 0.00261 -0.00234 0.00004 0.00242 162 2PY -0.00024 0.00051 -0.00068 -0.00017 0.00047 163 2PZ 0.00036 -0.00089 0.00100 -0.00005 -0.00097 164 3S -0.00117 0.00503 -0.00072 0.00050 0.00382 165 3PX 0.00005 0.00109 -0.00172 -0.00014 0.00104 166 3PY -0.00051 0.00301 -0.00061 -0.00009 0.00135 167 3PZ 0.00071 -0.00210 0.00133 -0.00040 -0.00158 168 4XX -0.00003 -0.00004 0.00015 -0.00006 -0.00024 169 4YY 0.00002 -0.00004 -0.00002 0.00002 0.00002 170 4ZZ 0.00002 -0.00008 -0.00010 0.00001 0.00009 171 4XY 0.00003 0.00001 0.00001 -0.00002 0.00000 172 4XZ -0.00003 0.00000 -0.00004 0.00002 0.00009 173 4YZ 0.00000 -0.00001 -0.00001 0.00000 0.00001 174 16 H 1S -0.00008 0.00028 -0.00019 -0.00003 0.00017 175 2S -0.00005 0.00025 -0.00050 -0.00001 0.00019 176 17 H 1S -0.00008 0.00028 0.00019 -0.00003 -0.00017 177 2S -0.00005 0.00025 0.00050 -0.00001 -0.00019 178 18 H 1S 0.00008 0.00006 0.00003 0.00021 -0.00029 179 2S 0.00021 0.00022 -0.00011 0.00000 0.00036 180 19 H 1S 0.00010 -0.00050 -0.00027 -0.00039 0.00016 181 2S 0.00112 -0.00256 -0.00147 -0.00094 0.00313 182 20 H 1S 0.00010 -0.00050 0.00027 -0.00039 -0.00016 183 2S 0.00113 -0.00257 0.00147 -0.00094 -0.00313 184 21 H 1S 0.00008 0.00006 -0.00003 0.00021 0.00029 185 2S 0.00021 0.00022 0.00011 0.00000 -0.00036 186 22 H 1S -0.00024 0.00047 0.00017 0.00018 -0.00005 187 2S -0.00017 0.00083 -0.00030 0.00000 0.00052 188 23 H 1S -0.00024 0.00047 -0.00017 0.00018 0.00005 189 2S -0.00017 0.00083 0.00030 0.00000 -0.00052 46 47 48 49 50 46 4 C 1S 2.05255 47 2S -0.06338 0.33288 48 2PX 0.01203 -0.01860 0.34621 49 2PY 0.00506 -0.01302 -0.04015 0.43071 50 2PZ 0.01511 -0.02722 -0.02221 -0.02890 0.37881 51 3S -0.17203 0.27248 -0.09835 0.01738 -0.02415 52 3PX 0.01878 -0.03665 0.16687 -0.03758 -0.08370 53 3PY 0.00736 -0.00397 -0.05102 0.12294 0.01635 54 3PZ 0.00255 -0.01649 -0.08141 0.01243 0.16318 55 4XX -0.01177 -0.01308 0.01163 0.00700 0.01131 56 4YY -0.01725 -0.00101 -0.00623 -0.01259 -0.00557 57 4ZZ -0.01571 -0.00410 -0.00184 0.01309 -0.00482 58 4XY 0.00020 -0.00034 0.00113 0.00496 0.01133 59 4XZ -0.00345 0.00809 0.01110 0.00916 0.00702 60 4YZ 0.00424 -0.00860 0.01262 -0.00769 0.00937 61 5 H 1S -0.00289 0.00540 0.00914 0.00537 0.00812 62 2S -0.00328 0.00505 -0.00171 0.00261 0.02480 63 6 H 1S -0.00481 0.01265 0.02127 0.00579 0.01276 64 2S -0.00436 0.01311 0.04174 -0.00554 0.00479 65 7 O 1S 0.00537 -0.00687 -0.02953 -0.00841 -0.02341 66 2S -0.00988 0.01073 0.06594 0.03094 0.05397 67 2PX 0.05683 -0.12361 -0.16693 -0.10823 -0.18562 68 2PY 0.02547 -0.05164 -0.09859 -0.03170 -0.06629 69 2PZ 0.03477 -0.06520 -0.17837 -0.07010 -0.08075 70 3S 0.01404 -0.02641 0.06861 -0.04044 0.04687 71 3PX 0.02658 -0.06226 -0.10154 -0.05727 -0.09089 72 3PY 0.01945 -0.03878 -0.07144 -0.02505 -0.04913 73 3PZ 0.01512 -0.02656 -0.08267 -0.04074 -0.05661 74 4XX -0.00369 0.00605 -0.00641 0.00823 0.00739 75 4YY -0.00126 0.00120 0.00465 0.00050 0.00290 76 4ZZ -0.00089 0.00060 0.00146 0.00487 -0.00969 77 4XY -0.00464 0.00906 0.00889 -0.00340 0.01056 78 4XZ -0.00489 0.00780 0.00431 0.00310 -0.00128 79 4YZ -0.00277 0.00504 0.01130 -0.00410 0.00184 80 8 H 1S -0.06820 0.13566 -0.06570 0.16923 -0.19076 81 2S -0.02048 0.04650 -0.03957 0.13846 -0.15449 82 9 H 1S 0.01654 -0.03648 0.00832 0.04030 0.00081 83 2S 0.02040 -0.04063 0.02370 0.06419 0.00813 84 10 C 1S -0.00069 0.00058 -0.00297 -0.00009 0.00128 85 2S 0.00137 -0.00173 0.00820 -0.00136 -0.00391 86 2PX 0.01089 -0.02272 0.07780 -0.01162 -0.05906 87 2PY 0.00262 -0.00401 0.01576 -0.00430 -0.01022 88 2PZ -0.00738 0.01701 -0.05629 0.01176 0.04328 89 3S 0.00207 0.00405 0.03490 -0.00095 -0.02182 90 3PX 0.00807 -0.01432 0.07598 -0.01105 -0.05767 91 3PY 0.00240 -0.00315 0.02113 0.00159 -0.01044 92 3PZ -0.00513 0.01321 -0.03844 0.01328 0.03310 93 4XX -0.00017 0.00011 -0.00104 0.00105 0.00011 94 4YY -0.00007 0.00011 0.00086 -0.00089 -0.00024 95 4ZZ -0.00009 0.00012 0.00078 -0.00044 -0.00055 96 4XY 0.00015 -0.00040 0.00033 -0.00083 0.00062 97 4XZ 0.00014 -0.00022 0.00094 0.00027 -0.00048 98 4YZ -0.00012 0.00031 -0.00042 0.00109 -0.00030 99 11 C 1S -0.00178 0.00265 -0.00503 0.00170 0.00224 100 2S 0.00269 -0.00452 0.01912 -0.00504 -0.00609 101 2PX 0.00919 -0.02100 0.03137 -0.01828 -0.00583 102 2PY -0.00007 -0.00007 -0.00231 0.00155 0.00214 103 2PZ -0.00379 0.01060 -0.00562 0.01159 -0.00874 104 3S 0.00660 -0.01527 -0.01132 -0.00913 -0.00465 105 3PX 0.00950 -0.02241 0.02167 -0.01859 -0.01003 106 3PY 0.00149 -0.00030 0.01371 -0.00229 -0.00720 107 3PZ -0.00354 0.00661 -0.02091 0.01558 0.00056 108 4XX -0.00071 0.00088 -0.00527 0.00107 0.00439 109 4YY 0.00004 -0.00016 0.00263 -0.00085 -0.00130 110 4ZZ -0.00029 0.00024 0.00291 -0.00015 -0.00243 111 4XY -0.00017 0.00053 -0.00297 0.00044 0.00268 112 4XZ 0.00039 -0.00088 0.00048 -0.00018 0.00039 113 4YZ 0.00066 -0.00094 0.00435 -0.00114 -0.00363 114 12 C 1S -0.00195 0.00085 0.00438 0.00057 -0.00771 115 2S 0.00260 -0.01172 -0.00254 -0.00518 0.01090 116 2PX -0.00844 0.01025 -0.10007 0.02519 0.08812 117 2PY 0.00428 -0.00287 0.03474 -0.01767 -0.02312 118 2PZ 0.00245 -0.00673 0.05651 -0.00962 -0.05947 119 3S 0.00479 0.00189 -0.00880 0.00295 0.03434 120 3PX 0.00167 -0.00231 -0.06592 0.01541 0.06242 121 3PY 0.00191 -0.00686 0.01521 -0.00271 -0.01960 122 3PZ 0.00396 -0.00722 0.05403 -0.01962 -0.05024 123 4XX -0.00149 0.00264 -0.00496 0.00346 0.00291 124 4YY 0.00012 -0.00134 0.00229 -0.00230 -0.00079 125 4ZZ -0.00031 -0.00051 0.00005 0.00012 -0.00138 126 4XY 0.00016 -0.00064 0.00256 0.00041 -0.00185 127 4XZ 0.00082 -0.00233 0.00541 -0.00262 -0.00200 128 4YZ -0.00007 0.00042 -0.00117 -0.00042 0.00099 129 13 C 1S -0.00160 0.00232 -0.00601 0.00138 0.00522 130 2S 0.00237 -0.00724 0.01600 -0.00410 -0.01807 131 2PX 0.00275 -0.00838 0.01449 -0.00285 -0.01389 132 2PY -0.00037 -0.00112 -0.00147 0.00184 -0.00170 133 2PZ -0.00219 0.01167 -0.01969 0.00129 0.01865 134 3S 0.00255 -0.00749 0.01137 0.00174 -0.00090 135 3PX 0.00447 -0.00430 0.01166 -0.00524 0.00415 136 3PY -0.00152 -0.00069 0.00822 0.00237 -0.00976 137 3PZ -0.00310 0.00600 -0.00175 -0.00097 0.00681 138 4XX -0.00041 0.00046 0.00106 0.00006 -0.00134 139 4YY 0.00002 -0.00044 0.00241 -0.00090 -0.00246 140 4ZZ -0.00071 0.00039 -0.00460 0.00118 0.00367 141 4XY 0.00011 -0.00043 0.00026 0.00006 -0.00017 142 4XZ 0.00080 -0.00161 0.00571 -0.00109 -0.00603 143 4YZ -0.00005 0.00026 -0.00064 0.00024 0.00063 144 14 C 1S -0.00135 0.00251 -0.00749 0.00026 0.00676 145 2S 0.00331 -0.00446 0.01643 -0.00225 -0.01384 146 2PX 0.00010 -0.00034 -0.00554 0.00294 0.00340 147 2PY 0.00131 -0.00182 0.00836 -0.00296 -0.00671 148 2PZ -0.00447 0.00621 -0.02316 -0.00042 0.01780 149 3S 0.00485 -0.00903 0.04190 0.00883 -0.03611 150 3PX -0.00199 0.00102 -0.01623 0.00247 0.00601 151 3PY -0.00085 0.00100 0.00751 -0.00146 -0.01048 152 3PZ -0.00127 0.00195 -0.01812 -0.00012 0.01474 153 4XX -0.00017 0.00043 -0.00142 -0.00011 0.00136 154 4YY 0.00005 -0.00014 0.00112 -0.00098 -0.00090 155 4ZZ 0.00010 -0.00004 -0.00045 0.00111 0.00048 156 4XY -0.00010 -0.00003 0.00026 -0.00047 -0.00017 157 4XZ 0.00018 -0.00024 0.00165 -0.00062 -0.00135 158 4YZ 0.00019 0.00007 0.00050 -0.00021 -0.00023 159 15 C 1S -0.00096 0.00309 -0.00602 -0.00166 0.00542 160 2S 0.00324 -0.00397 0.01970 0.00257 -0.01607 161 2PX 0.00345 -0.00801 0.00551 0.02186 -0.01141 162 2PY 0.00441 -0.00650 0.00668 0.01611 -0.00645 163 2PZ -0.00066 0.00422 -0.00167 -0.01217 0.00572 164 3S -0.00040 -0.00631 -0.01556 0.00888 0.00403 165 3PX 0.00317 -0.00580 0.01644 0.01834 -0.02240 166 3PY -0.00096 -0.00158 -0.02124 0.00078 0.01483 167 3PZ -0.00133 0.00434 -0.00019 -0.01980 -0.00082 168 4XX -0.00050 0.00121 -0.00642 0.00218 0.00550 169 4YY -0.00011 0.00040 0.00097 -0.00126 -0.00060 170 4ZZ 0.00057 -0.00090 0.00319 -0.00002 -0.00255 171 4XY -0.00027 0.00041 -0.00142 -0.00056 0.00099 172 4XZ 0.00026 -0.00034 0.00302 -0.00109 -0.00228 173 4YZ 0.00015 -0.00011 0.00055 0.00046 -0.00052 174 16 H 1S -0.00005 -0.00019 0.00044 0.00075 -0.00028 175 2S 0.00058 -0.00103 0.00607 0.00444 -0.00384 176 17 H 1S -0.00015 -0.00040 -0.00505 0.00069 0.00682 177 2S -0.00151 0.00010 -0.01516 0.00607 0.00957 178 18 H 1S 0.00408 -0.00634 0.01726 -0.01446 -0.00486 179 2S 0.00292 -0.00297 0.02258 -0.01732 -0.01181 180 19 H 1S 0.00211 -0.00547 0.01757 -0.00282 -0.01902 181 2S 0.00286 -0.00626 0.01628 -0.00553 -0.03805 182 20 H 1S 0.00009 0.00017 -0.00263 0.00031 0.00231 183 2S -0.00157 0.00337 0.00527 -0.00815 -0.00188 184 21 H 1S -0.00154 0.00205 0.00479 -0.00970 -0.00401 185 2S -0.00261 0.00376 -0.00464 -0.01642 0.00638 186 22 H 1S -0.00263 0.00805 -0.02530 0.00456 0.02413 187 2S -0.00281 0.01140 -0.05155 0.00981 0.05074 188 23 H 1S -0.00124 0.00104 -0.00605 0.00206 0.00385 189 2S -0.00321 0.00341 -0.02199 0.00740 0.01343 51 52 53 54 55 51 3S 0.30240 52 3PX -0.06511 0.10751 53 3PY -0.00109 -0.03277 0.05313 54 3PZ 0.01251 -0.06592 0.02381 0.09326 55 4XX -0.01110 0.00269 0.00135 0.00336 0.00284 56 4YY -0.00002 0.00019 -0.00171 -0.00081 -0.00081 57 4ZZ -0.00313 -0.00075 0.00225 -0.00239 -0.00057 58 4XY -0.00070 -0.00125 0.00301 0.00445 0.00068 59 4XZ 0.00261 0.00148 0.00128 -0.00019 0.00036 60 4YZ -0.01358 0.00464 -0.00212 0.00057 0.00059 61 5 H 1S 0.02075 0.00568 0.00940 0.00565 0.00242 62 2S 0.03060 -0.00489 0.01305 0.01770 0.00650 63 6 H 1S 0.00897 0.01225 0.00076 0.00419 -0.00346 64 2S -0.00498 0.02403 -0.00972 -0.00720 -0.00561 65 7 O 1S 0.03365 0.00188 -0.00926 0.00881 -0.00408 66 2S -0.08565 -0.00925 0.02010 -0.02161 0.01019 67 2PX -0.03606 -0.02842 -0.01431 -0.03342 0.00967 68 2PY -0.06383 0.00554 0.04341 -0.00080 -0.01246 69 2PZ -0.07378 -0.06529 -0.02436 -0.03147 -0.02966 70 3S -0.14502 -0.00220 0.00576 -0.03623 0.00915 71 3PX -0.00386 -0.02098 -0.00217 -0.00671 0.00838 72 3PY -0.04535 0.00213 0.02760 -0.00143 -0.00826 73 3PZ -0.04402 -0.02602 -0.01817 -0.02935 -0.02041 74 4XX 0.00707 -0.00484 0.00343 0.00474 -0.00053 75 4YY 0.00255 0.00001 -0.00238 0.00049 0.00073 76 4ZZ 0.00268 0.00309 0.00096 -0.00347 -0.00006 77 4XY 0.00459 0.00132 -0.00224 0.00177 -0.00044 78 4XZ 0.00512 0.00090 0.00065 -0.00174 0.00015 79 4YZ 0.00392 0.00492 -0.00177 -0.00035 0.00104 80 8 H 1S 0.13823 -0.01463 0.04025 -0.06419 -0.01030 81 2S 0.05310 0.00285 0.02944 -0.05323 -0.00710 82 9 H 1S -0.06701 -0.00165 0.02500 0.00188 0.00286 83 2S -0.06604 0.00133 0.02217 -0.00048 0.00382 84 10 C 1S 0.00390 -0.00129 -0.00151 0.00188 -0.00022 85 2S -0.00677 0.00638 0.00182 -0.00093 0.00029 86 2PX -0.05255 0.05985 -0.02886 -0.04678 0.00077 87 2PY -0.01291 0.01205 -0.00197 -0.01428 0.00019 88 2PZ 0.03694 -0.04004 0.02420 0.04463 0.00000 89 3S -0.01672 0.01873 0.00030 -0.02369 -0.00099 90 3PX -0.04058 0.05287 -0.02554 -0.04984 -0.00035 91 3PY -0.01632 0.01492 0.00055 -0.01446 -0.00038 92 3PZ 0.02603 -0.03147 0.01794 0.02776 0.00045 93 4XX 0.00024 0.00003 0.00019 -0.00002 -0.00005 94 4YY 0.00068 0.00029 -0.00078 -0.00031 0.00003 95 4ZZ -0.00088 0.00002 0.00009 -0.00039 -0.00002 96 4XY -0.00199 -0.00069 -0.00034 -0.00057 0.00023 97 4XZ -0.00100 0.00051 0.00015 -0.00056 0.00002 98 4YZ 0.00083 0.00006 0.00064 -0.00063 -0.00018 99 11 C 1S 0.00362 -0.00660 0.00256 0.00154 -0.00079 100 2S -0.01131 0.01009 -0.00679 -0.01149 0.00083 101 2PX -0.05397 0.00585 -0.01974 -0.02472 0.00598 102 2PY -0.00008 -0.00333 -0.00115 0.00223 -0.00039 103 2PZ 0.02765 0.00106 0.01112 -0.00967 -0.00412 104 3S -0.00268 -0.00189 -0.00725 0.00410 -0.00147 105 3PX -0.04286 0.00790 -0.01495 -0.01274 0.00315 106 3PY -0.01053 0.00921 -0.00065 -0.00995 -0.00123 107 3PZ 0.02490 -0.00564 0.01187 0.00643 -0.00385 108 4XX 0.00169 -0.00394 0.00084 0.00308 0.00026 109 4YY -0.00169 0.00184 0.00011 -0.00116 -0.00010 110 4ZZ 0.00040 0.00224 -0.00090 -0.00129 -0.00022 111 4XY 0.00083 -0.00266 0.00134 0.00150 0.00008 112 4XZ -0.00036 0.00043 -0.00057 0.00028 0.00007 113 4YZ -0.00243 0.00313 -0.00123 -0.00358 -0.00014 114 12 C 1S 0.01939 -0.00116 -0.00042 0.00289 -0.00166 115 2S -0.00898 0.00241 -0.00593 0.00279 0.00291 116 2PX 0.03369 -0.06897 0.01876 0.07191 0.00639 117 2PY -0.03756 0.02648 0.00967 -0.01844 -0.00236 118 2PZ 0.01771 0.05827 -0.01997 -0.02544 -0.00506 119 3S 0.00633 -0.01131 0.00142 0.01276 0.00712 120 3PX 0.00809 -0.04890 0.01363 0.04702 0.00462 121 3PY -0.01663 0.01405 -0.00005 -0.01041 -0.00312 122 3PZ -0.00659 0.04815 -0.01788 -0.03220 -0.00457 123 4XX 0.00472 -0.00307 0.00193 0.00247 -0.00044 124 4YY -0.00364 0.00184 0.00001 -0.00113 0.00003 125 4ZZ -0.00023 -0.00015 -0.00089 -0.00026 0.00011 126 4XY -0.00142 0.00135 0.00003 -0.00168 0.00002 127 4XZ -0.00285 0.00369 -0.00203 -0.00204 0.00022 128 4YZ -0.00038 -0.00132 0.00012 0.00000 0.00008 129 13 C 1S 0.00606 -0.00470 0.00098 0.00664 -0.00063 130 2S -0.00124 0.01725 -0.01047 -0.00698 0.00056 131 2PX -0.00167 0.02393 -0.00749 -0.00779 0.00092 132 2PY 0.00814 -0.00042 -0.00132 0.00014 -0.00003 133 2PZ -0.01872 -0.03174 0.02065 0.00120 -0.00036 134 3S 0.00820 0.00615 -0.01295 0.00618 0.00265 135 3PX -0.00074 0.01150 -0.00524 -0.00038 0.00163 136 3PY 0.00022 0.00630 -0.00020 -0.00481 0.00103 137 3PZ -0.00599 -0.01038 0.00827 -0.00124 0.00221 138 4XX 0.00009 0.00074 0.00012 -0.00114 -0.00015 139 4YY -0.00193 0.00187 -0.00015 -0.00175 -0.00006 140 4ZZ 0.00176 -0.00343 0.00076 0.00268 0.00024 141 4XY -0.00003 0.00086 -0.00052 -0.00002 0.00009 142 4XZ -0.00100 0.00534 -0.00189 -0.00366 -0.00014 143 4YZ -0.00124 -0.00131 0.00081 -0.00021 0.00006 144 14 C 1S 0.00525 -0.00501 0.00098 0.00473 0.00003 145 2S -0.02180 0.00780 0.00160 -0.01516 0.00002 146 2PX -0.00052 -0.01195 0.00919 0.00205 -0.00010 147 2PY -0.00381 0.01243 -0.00419 -0.00048 -0.00020 148 2PZ 0.04389 -0.01015 -0.00924 0.02307 -0.00037 149 3S -0.04200 0.02838 0.00535 -0.03137 -0.00109 150 3PX 0.00318 -0.01262 0.00702 0.00619 -0.00048 151 3PY -0.00214 0.00969 -0.00077 -0.00395 -0.00025 152 3PZ 0.02033 -0.00941 -0.00151 0.01530 -0.00021 153 4XX 0.00139 -0.00147 0.00037 0.00129 0.00000 154 4YY 0.00026 0.00079 -0.00090 -0.00035 0.00006 155 4ZZ -0.00033 0.00014 0.00036 -0.00008 0.00003 156 4XY 0.00040 0.00082 -0.00056 0.00005 0.00005 157 4XZ -0.00187 0.00007 0.00044 -0.00093 0.00004 158 4YZ -0.00164 -0.00037 0.00061 -0.00080 -0.00002 159 15 C 1S -0.00390 -0.00525 0.00344 0.00095 -0.00015 160 2S -0.01547 0.01582 -0.00096 -0.01385 0.00009 161 2PX -0.01236 0.01447 0.00299 -0.02189 -0.00100 162 2PY -0.04105 0.00810 0.01500 -0.00944 0.00028 163 2PZ -0.01992 -0.01701 0.01066 -0.00461 0.00082 164 3S -0.00131 -0.00104 0.00791 0.00824 0.00048 165 3PX -0.00671 0.01959 -0.00144 -0.02259 -0.00095 166 3PY -0.00009 -0.01034 0.00611 0.01129 0.00073 167 3PZ -0.00728 -0.00997 -0.00096 -0.00260 0.00042 168 4XX 0.00314 -0.00457 0.00247 0.00448 0.00002 169 4YY 0.00159 0.00070 -0.00134 -0.00045 -0.00003 170 4ZZ -0.00306 0.00203 -0.00063 -0.00256 -0.00003 171 4XY 0.00029 -0.00087 0.00000 0.00032 -0.00001 172 4XZ -0.00172 0.00155 -0.00055 -0.00176 -0.00002 173 4YZ -0.00055 0.00013 0.00041 -0.00045 -0.00004 174 16 H 1S -0.00200 -0.00181 0.00061 -0.00424 -0.00016 175 2S -0.00661 0.00104 0.00090 -0.00986 -0.00018 176 17 H 1S 0.00376 -0.00141 -0.00193 0.01246 0.00035 177 2S 0.00975 -0.00671 0.00048 0.01872 0.00029 178 18 H 1S -0.02949 0.01402 0.00486 -0.00815 0.00033 179 2S -0.02847 0.01788 0.00477 -0.01338 -0.00067 180 19 H 1S -0.00477 0.02014 -0.00649 -0.01303 -0.00031 181 2S -0.01425 0.02387 -0.00531 -0.02556 -0.00458 182 20 H 1S 0.00045 -0.00973 0.00532 0.00139 0.00007 183 2S 0.00729 -0.00637 -0.00234 0.00013 0.00073 184 21 H 1S 0.02037 0.00386 -0.01136 -0.00076 -0.00022 185 2S 0.02622 -0.00368 -0.01245 0.00671 0.00028 186 22 H 1S -0.00338 -0.03165 0.01292 0.01169 0.00042 187 2S 0.00315 -0.05085 0.02064 0.02778 0.00044 188 23 H 1S 0.01568 0.00285 -0.00665 0.00497 -0.00012 189 2S 0.02781 -0.00370 -0.00430 0.01380 0.00000 56 57 58 59 60 56 4YY 0.00124 57 4ZZ -0.00025 0.00166 58 4XY -0.00016 -0.00042 0.00146 59 4XZ -0.00086 0.00048 0.00038 0.00147 60 4YZ -0.00001 -0.00006 0.00045 0.00023 0.00192 61 5 H 1S 0.00013 -0.00360 0.00183 -0.00183 -0.00070 62 2S 0.00011 -0.00765 0.00380 -0.00289 -0.00148 63 6 H 1S 0.00043 0.00137 -0.00038 0.00037 0.00170 64 2S 0.00070 0.00374 -0.00106 0.00177 0.00353 65 7 O 1S 0.00187 -0.00015 -0.00471 -0.00482 -0.00418 66 2S -0.00417 0.00085 0.01094 0.01112 0.00916 67 2PX 0.00838 -0.01394 -0.00470 -0.02047 -0.01403 68 2PY 0.01669 -0.00483 0.01115 -0.01396 0.00988 69 2PZ 0.00734 0.02319 -0.01508 -0.00360 0.00086 70 3S -0.00037 -0.00054 0.01372 0.00833 0.01643 71 3PX 0.00484 -0.01121 -0.00028 -0.01239 -0.00876 72 3PY 0.01108 -0.00301 0.00645 -0.00951 0.00553 73 3PZ 0.00453 0.01586 -0.00909 -0.00057 0.00239 74 4XX -0.00009 0.00032 0.00036 0.00026 -0.00009 75 4YY -0.00086 0.00021 -0.00086 0.00067 -0.00082 76 4ZZ 0.00012 -0.00011 0.00000 -0.00029 -0.00035 77 4XY -0.00033 0.00031 0.00003 0.00095 0.00054 78 4XZ -0.00020 -0.00014 0.00023 0.00045 -0.00007 79 4YZ -0.00016 -0.00112 0.00036 0.00013 0.00011 80 8 H 1S -0.00133 0.00727 -0.00491 0.00219 -0.01375 81 2S -0.00114 0.00780 -0.00503 0.00106 -0.00999 82 9 H 1S 0.00066 0.00200 0.00225 0.00135 0.00732 83 2S -0.00248 0.00396 0.00105 0.00287 0.00649 84 10 C 1S -0.00006 -0.00029 0.00007 -0.00015 -0.00021 85 2S 0.00020 0.00039 -0.00073 0.00017 0.00063 86 2PX -0.00040 0.00168 -0.00112 0.00113 0.00166 87 2PY 0.00036 0.00028 -0.00003 0.00034 0.00047 88 2PZ 0.00041 -0.00081 -0.00003 -0.00070 -0.00061 89 3S -0.00034 0.00145 0.00062 0.00230 0.00015 90 3PX -0.00066 0.00194 -0.00072 0.00173 0.00124 91 3PY 0.00015 0.00056 0.00100 0.00120 -0.00023 92 3PZ -0.00027 -0.00077 0.00075 0.00001 -0.00098 93 4XX 0.00002 -0.00002 0.00027 0.00005 -0.00026 94 4YY 0.00000 -0.00001 -0.00012 -0.00001 0.00010 95 4ZZ -0.00001 0.00004 -0.00015 -0.00003 0.00014 96 4XY -0.00009 -0.00008 -0.00017 -0.00010 0.00022 97 4XZ -0.00003 0.00004 0.00000 0.00003 -0.00001 98 4YZ 0.00004 0.00003 0.00028 0.00011 -0.00028 99 11 C 1S -0.00013 -0.00029 -0.00016 -0.00048 -0.00029 100 2S -0.00023 0.00012 0.00026 0.00093 0.00044 101 2PX -0.00213 -0.00135 -0.00434 -0.00196 0.00517 102 2PY -0.00021 -0.00021 0.00101 0.00047 -0.00091 103 2PZ 0.00109 0.00082 0.00386 0.00187 -0.00430 104 3S 0.00113 0.00123 -0.00143 -0.00108 0.00187 105 3PX -0.00075 -0.00017 -0.00423 -0.00206 0.00492 106 3PY 0.00027 0.00052 0.00158 0.00124 -0.00049 107 3PZ 0.00119 0.00131 0.00243 0.00098 -0.00297 108 4XX -0.00010 -0.00016 -0.00005 -0.00017 0.00001 109 4YY 0.00008 0.00007 -0.00004 0.00010 0.00007 110 4ZZ 0.00001 0.00017 0.00002 0.00012 0.00000 111 4XY -0.00001 -0.00011 -0.00003 -0.00007 0.00001 112 4XZ -0.00004 0.00001 0.00000 -0.00003 0.00008 113 4YZ 0.00004 0.00009 0.00001 0.00009 0.00002 114 12 C 1S -0.00015 0.00005 0.00065 0.00087 -0.00069 115 2S -0.00072 -0.00093 -0.00175 -0.00215 0.00189 116 2PX -0.00200 -0.00300 -0.00232 -0.00444 0.00161 117 2PY 0.00233 0.00031 -0.00081 0.00155 0.00050 118 2PZ 0.00114 0.00308 0.00135 0.00101 -0.00103 119 3S -0.00221 -0.00431 0.00026 -0.00174 -0.00001 120 3PX -0.00123 -0.00194 -0.00166 -0.00304 0.00253 121 3PY 0.00109 0.00251 -0.00187 0.00075 0.00115 122 3PZ 0.00142 0.00257 0.00108 0.00144 0.00021 123 4XX 0.00004 0.00018 0.00038 0.00023 -0.00043 124 4YY 0.00015 -0.00003 -0.00013 -0.00003 0.00015 125 4ZZ -0.00007 0.00003 -0.00018 -0.00010 0.00011 126 4XY -0.00001 0.00004 -0.00002 0.00009 0.00003 127 4XZ -0.00004 -0.00003 -0.00006 -0.00003 0.00023 128 4YZ -0.00001 -0.00010 -0.00001 0.00000 -0.00001 129 13 C 1S 0.00003 -0.00062 0.00037 0.00066 -0.00023 130 2S -0.00028 0.00051 -0.00055 -0.00101 0.00046 131 2PX -0.00017 0.00050 0.00007 -0.00114 -0.00049 132 2PY -0.00039 -0.00048 0.00037 -0.00007 -0.00025 133 2PZ 0.00086 -0.00154 0.00068 0.00209 -0.00104 134 3S -0.00173 0.00032 -0.00252 -0.00127 0.00140 135 3PX -0.00055 -0.00056 0.00074 -0.00019 -0.00029 136 3PY -0.00030 -0.00096 0.00040 -0.00011 -0.00086 137 3PZ -0.00003 -0.00250 0.00078 0.00054 -0.00121 138 4XX 0.00004 0.00005 0.00009 0.00012 -0.00013 139 4YY 0.00009 0.00005 -0.00006 0.00001 0.00004 140 4ZZ -0.00008 -0.00017 -0.00003 -0.00016 0.00000 141 4XY -0.00002 0.00000 0.00001 -0.00005 0.00000 142 4XZ 0.00004 0.00017 -0.00001 -0.00002 -0.00001 143 4YZ -0.00002 -0.00005 0.00004 0.00003 -0.00004 144 14 C 1S -0.00008 -0.00049 0.00020 0.00000 -0.00011 145 2S 0.00002 0.00104 -0.00069 -0.00019 0.00086 146 2PX -0.00039 0.00049 -0.00069 -0.00064 0.00045 147 2PY 0.00053 0.00051 0.00008 0.00001 -0.00028 148 2PZ 0.00052 -0.00123 0.00080 0.00047 -0.00108 149 3S 0.00032 0.00204 0.00000 0.00124 -0.00020 150 3PX 0.00016 0.00013 -0.00060 -0.00079 -0.00027 151 3PY 0.00050 0.00008 0.00040 0.00020 -0.00075 152 3PZ 0.00046 -0.00077 0.00015 -0.00018 -0.00029 153 4XX 0.00000 -0.00004 -0.00007 -0.00003 0.00007 154 4YY -0.00001 -0.00001 -0.00012 -0.00006 0.00013 155 4ZZ -0.00001 -0.00004 0.00024 0.00009 -0.00020 156 4XY 0.00002 -0.00004 0.00000 -0.00003 -0.00001 157 4XZ -0.00006 0.00010 -0.00029 -0.00008 0.00030 158 4YZ 0.00002 0.00001 -0.00005 0.00005 0.00005 159 15 C 1S 0.00008 -0.00011 -0.00037 -0.00016 0.00043 160 2S -0.00002 0.00080 0.00017 0.00052 -0.00030 161 2PX 0.00030 0.00016 0.00560 0.00162 -0.00505 162 2PY -0.00010 0.00085 0.00230 0.00076 -0.00154 163 2PZ -0.00048 0.00001 -0.00325 -0.00149 0.00330 164 3S 0.00091 -0.00076 0.00075 -0.00094 -0.00172 165 3PX 0.00000 0.00059 0.00377 0.00169 -0.00388 166 3PY 0.00033 -0.00107 0.00101 -0.00101 -0.00112 167 3PZ -0.00013 -0.00012 -0.00331 -0.00148 0.00305 168 4XX 0.00001 -0.00011 0.00023 -0.00002 -0.00021 169 4YY 0.00000 0.00000 -0.00013 -0.00001 0.00009 170 4ZZ -0.00004 0.00012 0.00002 0.00009 0.00009 171 4XY 0.00001 -0.00007 0.00010 -0.00005 -0.00009 172 4XZ -0.00003 0.00008 -0.00023 -0.00002 0.00015 173 4YZ -0.00001 0.00007 -0.00004 0.00000 0.00003 174 16 H 1S -0.00019 -0.00006 0.00041 0.00004 -0.00040 175 2S -0.00042 0.00012 0.00102 0.00048 -0.00077 176 17 H 1S -0.00008 0.00003 0.00004 0.00002 0.00023 177 2S -0.00018 0.00021 -0.00046 -0.00056 0.00024 178 18 H 1S 0.00113 -0.00055 -0.00137 -0.00012 0.00127 179 2S 0.00161 -0.00050 -0.00017 0.00046 0.00062 180 19 H 1S 0.00002 0.00078 0.00019 -0.00020 -0.00044 181 2S 0.00153 0.00304 0.00010 0.00037 0.00013 182 20 H 1S -0.00031 0.00031 -0.00088 -0.00045 0.00090 183 2S -0.00071 0.00002 -0.00118 -0.00037 0.00185 184 21 H 1S 0.00017 -0.00023 -0.00116 -0.00024 0.00057 185 2S 0.00015 -0.00083 -0.00147 -0.00089 0.00104 186 22 H 1S -0.00006 -0.00121 0.00009 0.00067 -0.00002 187 2S -0.00015 -0.00139 0.00071 0.00051 -0.00017 188 23 H 1S 0.00033 -0.00055 0.00128 0.00051 -0.00126 189 2S 0.00033 -0.00111 0.00256 0.00036 -0.00282 61 62 63 64 65 61 5 H 1S 0.22401 62 2S 0.18439 0.19878 63 6 H 1S -0.04299 -0.08902 0.22350 64 2S -0.08219 -0.12033 0.17399 0.16572 65 7 O 1S 0.00889 0.00532 0.01026 0.00569 2.07557 66 2S -0.02014 -0.01017 -0.02490 -0.01482 -0.17799 67 2PX 0.02515 0.08190 -0.06499 -0.11692 -0.01251 68 2PY 0.01453 0.02793 0.01386 0.03137 -0.03973 69 2PZ -0.07388 -0.15915 0.02891 0.07567 -0.00479 70 3S -0.04561 -0.02896 -0.04016 -0.01085 -0.24523 71 3PX 0.02839 0.07369 -0.05426 -0.08763 -0.00938 72 3PY 0.00976 0.01834 0.00600 0.01561 -0.02573 73 3PZ -0.06367 -0.12026 0.03094 0.06849 -0.00453 74 4XX -0.00188 -0.00272 0.00638 0.00588 -0.01520 75 4YY 0.00010 -0.00145 -0.00047 -0.00281 -0.01267 76 4ZZ 0.00617 0.00636 -0.00214 -0.00286 -0.01397 77 4XY -0.00032 -0.00176 -0.00191 0.00179 0.00150 78 4XZ 0.00215 0.00178 0.00194 0.00098 -0.00372 79 4YZ -0.00169 0.00307 -0.00018 -0.00080 0.00139 80 8 H 1S -0.00729 -0.01839 -0.00083 -0.00208 0.01458 81 2S -0.01728 -0.03271 0.00156 0.00583 0.01571 82 9 H 1S -0.00729 -0.01839 -0.00083 -0.00208 -0.00352 83 2S -0.01727 -0.03270 0.00156 0.00583 -0.00324 84 10 C 1S 0.00063 0.00066 -0.00094 -0.00200 0.00003 85 2S -0.00138 -0.00226 0.00273 0.00547 0.00038 86 2PX -0.00488 -0.01326 0.00763 0.01682 -0.00239 87 2PY -0.00007 -0.00431 0.00022 0.00112 -0.00041 88 2PZ 0.00086 0.00874 -0.00253 -0.00554 0.00198 89 3S -0.01206 -0.01737 0.01089 0.01796 -0.00543 90 3PX -0.00794 -0.01862 0.00929 0.01860 -0.00314 91 3PY 0.00186 0.00056 -0.00200 -0.00258 -0.00232 92 3PZ -0.00143 0.00370 -0.00085 -0.00354 0.00044 93 4XX 0.00039 0.00096 -0.00050 -0.00101 0.00000 94 4YY -0.00023 -0.00051 0.00037 0.00070 -0.00004 95 4ZZ -0.00041 -0.00114 0.00047 0.00082 0.00000 96 4XY -0.00014 -0.00053 0.00021 0.00047 -0.00015 97 4XZ -0.00006 -0.00017 0.00017 0.00027 -0.00004 98 4YZ 0.00038 0.00089 -0.00044 -0.00086 0.00002 99 11 C 1S 0.00063 0.00066 -0.00094 -0.00200 0.00025 100 2S -0.00138 -0.00226 0.00273 0.00547 -0.00140 101 2PX -0.00488 -0.01326 0.00763 0.01683 -0.00322 102 2PY 0.00007 0.00431 -0.00022 -0.00112 -0.00047 103 2PZ 0.00086 0.00874 -0.00253 -0.00554 0.00086 104 3S -0.01207 -0.01738 0.01090 0.01797 0.00079 105 3PX -0.00795 -0.01862 0.00930 0.01861 -0.00142 106 3PY -0.00186 -0.00056 0.00200 0.00257 -0.00426 107 3PZ -0.00143 0.00370 -0.00084 -0.00354 0.00192 108 4XX 0.00039 0.00096 -0.00050 -0.00101 0.00007 109 4YY -0.00023 -0.00051 0.00037 0.00070 -0.00006 110 4ZZ -0.00041 -0.00114 0.00047 0.00082 -0.00013 111 4XY 0.00014 0.00053 -0.00021 -0.00047 -0.00001 112 4XZ -0.00006 -0.00017 0.00017 0.00027 -0.00007 113 4YZ -0.00038 -0.00089 0.00044 0.00086 -0.00018 114 12 C 1S -0.00145 -0.00191 0.00142 0.00191 -0.00006 115 2S 0.00102 0.00050 -0.00087 -0.00083 0.00124 116 2PX 0.00985 0.01930 -0.01077 -0.02156 0.00404 117 2PY -0.00186 -0.00327 0.00153 0.00370 -0.00016 118 2PZ -0.00338 -0.01361 0.00282 0.00565 0.00063 119 3S 0.02159 0.03437 -0.01834 -0.02970 -0.00072 120 3PX 0.00372 0.00893 -0.00436 -0.00958 -0.00230 121 3PY -0.01273 -0.02261 0.01006 0.01785 0.00275 122 3PZ -0.00671 -0.01664 0.00827 0.01473 -0.00410 123 4XX -0.00017 0.00052 0.00012 -0.00027 0.00035 124 4YY -0.00012 -0.00042 0.00009 0.00042 0.00017 125 4ZZ -0.00023 -0.00084 0.00020 0.00041 0.00016 126 4XY 0.00000 -0.00028 0.00012 0.00035 -0.00005 127 4XZ -0.00017 -0.00005 0.00031 0.00087 -0.00011 128 4YZ 0.00002 0.00029 -0.00004 -0.00012 0.00000 129 13 C 1S 0.00270 -0.00010 -0.00148 -0.00291 -0.00055 130 2S -0.00473 -0.00130 0.00243 0.00564 0.00098 131 2PX -0.00805 0.01067 0.00374 0.00935 0.00448 132 2PY 0.00102 0.00203 -0.00104 -0.00523 0.00124 133 2PZ -0.00060 0.00672 0.00045 -0.00186 -0.00164 134 3S -0.01212 -0.00945 0.00559 0.00914 0.00837 135 3PX -0.00232 0.00804 0.00051 0.00123 0.00231 136 3PY -0.00034 0.00285 -0.00113 -0.00426 0.00265 137 3PZ 0.00659 0.01557 -0.00515 -0.01008 0.00095 138 4XX 0.00011 0.00053 0.00001 0.00014 0.00014 139 4YY -0.00020 -0.00023 0.00012 0.00038 -0.00007 140 4ZZ 0.00062 0.00073 -0.00060 -0.00132 0.00013 141 4XY -0.00045 -0.00022 0.00026 0.00035 0.00014 142 4XZ -0.00073 -0.00062 0.00048 0.00118 0.00013 143 4YZ 0.00012 0.00042 -0.00011 -0.00027 -0.00001 144 14 C 1S 0.00270 -0.00010 -0.00148 -0.00291 0.00035 145 2S -0.00473 -0.00130 0.00243 0.00564 -0.00090 146 2PX -0.00805 0.01067 0.00374 0.00935 -0.00001 147 2PY -0.00102 -0.00203 0.00104 0.00523 -0.00021 148 2PZ -0.00060 0.00672 0.00045 -0.00186 0.00074 149 3S -0.01211 -0.00943 0.00559 0.00913 -0.00140 150 3PX -0.00232 0.00805 0.00051 0.00123 0.00066 151 3PY 0.00035 -0.00285 0.00112 0.00425 -0.00032 152 3PZ 0.00659 0.01558 -0.00515 -0.01008 0.00120 153 4XX 0.00011 0.00053 0.00001 0.00014 0.00004 154 4YY -0.00020 -0.00023 0.00012 0.00038 -0.00004 155 4ZZ 0.00062 0.00073 -0.00060 -0.00132 -0.00007 156 4XY 0.00045 0.00022 -0.00026 -0.00035 0.00020 157 4XZ -0.00073 -0.00062 0.00048 0.00118 -0.00011 158 4YZ -0.00012 -0.00042 0.00011 0.00027 -0.00014 159 15 C 1S -0.00145 -0.00191 0.00142 0.00191 -0.00022 160 2S 0.00102 0.00050 -0.00087 -0.00083 -0.00083 161 2PX 0.00985 0.01929 -0.01077 -0.02156 -0.00029 162 2PY 0.00186 0.00327 -0.00153 -0.00370 -0.00057 163 2PZ -0.00338 -0.01361 0.00282 0.00565 -0.00038 164 3S 0.02158 0.03436 -0.01834 -0.02969 0.00478 165 3PX 0.00373 0.00894 -0.00437 -0.00959 0.00034 166 3PY 0.01273 0.02261 -0.01006 -0.01784 0.00292 167 3PZ -0.00671 -0.01663 0.00827 0.01473 -0.00037 168 4XX -0.00017 0.00052 0.00012 -0.00027 0.00005 169 4YY -0.00012 -0.00042 0.00009 0.00042 -0.00013 170 4ZZ -0.00023 -0.00084 0.00020 0.00041 -0.00024 171 4XY 0.00000 0.00028 -0.00012 -0.00035 0.00001 172 4XZ -0.00017 -0.00005 0.00031 0.00087 -0.00001 173 4YZ -0.00002 -0.00029 0.00004 0.00012 -0.00001 174 16 H 1S 0.00108 0.00129 -0.00069 -0.00180 -0.00010 175 2S 0.00093 0.00051 -0.00122 -0.00266 -0.00077 176 17 H 1S 0.00108 0.00129 -0.00069 -0.00180 0.00019 177 2S 0.00093 0.00051 -0.00122 -0.00266 0.00148 178 18 H 1S 0.00045 0.00001 -0.00050 0.00054 0.00030 179 2S 0.00163 0.00218 -0.00051 0.00036 -0.00252 180 19 H 1S -0.00402 0.00596 0.00266 0.00703 0.00248 181 2S -0.00757 -0.00843 0.00726 0.01618 -0.00390 182 20 H 1S -0.00402 0.00596 0.00266 0.00704 -0.00029 183 2S -0.00758 -0.00844 0.00727 0.01619 -0.00186 184 21 H 1S 0.00045 0.00001 -0.00049 0.00055 0.00027 185 2S 0.00163 0.00218 -0.00051 0.00036 0.00064 186 22 H 1S 0.00356 0.00220 -0.00241 -0.00705 -0.00177 187 2S 0.00648 0.00730 -0.00501 -0.01208 -0.00269 188 23 H 1S 0.00356 0.00220 -0.00241 -0.00706 0.00058 189 2S 0.00648 0.00729 -0.00501 -0.01208 0.00121 66 67 68 69 70 66 2S 0.50359 67 2PX 0.02850 0.64791 68 2PY 0.07464 0.02589 0.66560 69 2PZ 0.00377 -0.13783 0.04101 0.71652 70 3S 0.59250 0.04942 0.21999 0.05278 0.75618 71 3PX 0.02093 0.40599 0.03490 -0.15871 0.03229 72 3PY 0.04922 0.03539 0.42233 0.03768 0.14005 73 3PZ 0.00465 -0.14600 0.04618 0.46282 0.04139 74 4XX -0.00285 -0.01349 0.00530 0.00322 -0.00421 75 4YY -0.00833 0.00249 -0.04105 -0.00244 -0.01835 76 4ZZ -0.00547 0.00533 0.00589 -0.00732 -0.00646 77 4XY -0.00344 -0.02796 -0.00808 0.00450 -0.00490 78 4XZ 0.00792 -0.00237 -0.00090 -0.00743 0.00741 79 4YZ -0.00292 0.00402 -0.00308 -0.02923 -0.00413 80 8 H 1S -0.02981 0.01400 -0.01736 0.04332 -0.07740 81 2S -0.03187 0.01597 -0.02197 0.07309 -0.06865 82 9 H 1S 0.00990 -0.02878 -0.01995 -0.00586 0.01898 83 2S 0.00967 -0.05948 -0.04326 0.00655 0.01363 84 10 C 1S 0.00010 0.00146 0.00082 -0.00083 -0.00062 85 2S -0.00105 -0.00392 0.00067 0.00297 -0.00216 86 2PX 0.00425 -0.04302 0.00103 0.03259 0.01711 87 2PY 0.00032 -0.00710 -0.00082 0.00411 0.00387 88 2PZ -0.00298 0.03015 -0.00200 -0.02205 -0.01806 89 3S 0.01365 -0.02271 -0.01673 0.01044 0.01897 90 3PX 0.00674 -0.04386 -0.00767 0.03157 0.01955 91 3PY 0.00621 -0.01548 -0.00396 0.00332 0.00641 92 3PZ 0.00084 0.02318 -0.01234 -0.02613 -0.00832 93 4XX 0.00009 0.00031 0.00001 -0.00068 -0.00044 94 4YY 0.00004 -0.00041 0.00024 0.00034 0.00028 95 4ZZ -0.00011 -0.00058 0.00028 0.00066 0.00054 96 4XY 0.00016 0.00003 0.00001 -0.00025 0.00178 97 4XZ 0.00009 -0.00051 -0.00026 0.00007 0.00022 98 4YZ 0.00007 -0.00033 -0.00006 -0.00020 -0.00067 99 11 C 1S -0.00129 0.00317 -0.00082 -0.00062 0.00114 100 2S 0.00318 -0.01246 -0.00223 0.00105 0.00790 101 2PX 0.00264 -0.00852 -0.00006 0.00173 0.03874 102 2PY 0.00153 -0.00185 0.00070 -0.00194 0.00181 103 2PZ 0.00027 -0.00690 0.00067 0.00447 -0.01430 104 3S -0.00745 -0.01267 0.03844 0.04573 0.00170 105 3PX -0.00210 -0.00817 0.01578 0.02055 0.02453 106 3PY 0.00989 -0.01627 0.00470 0.00925 0.01277 107 3PZ -0.00330 -0.00864 0.01122 0.01854 -0.01834 108 4XX -0.00017 0.00236 -0.00047 -0.00184 -0.00011 109 4YY 0.00022 -0.00167 -0.00014 0.00100 0.00019 110 4ZZ 0.00056 -0.00254 -0.00020 0.00209 0.00009 111 4XY -0.00003 0.00169 -0.00006 -0.00139 0.00011 112 4XZ 0.00008 -0.00035 0.00047 0.00009 0.00016 113 4YZ 0.00030 -0.00253 0.00051 0.00235 0.00123 114 12 C 1S 0.00144 -0.00871 0.00185 0.00815 -0.00560 115 2S -0.00357 0.01382 -0.00158 -0.00917 -0.00092 116 2PX -0.00922 0.06018 -0.00860 -0.05232 -0.01762 117 2PY 0.00011 -0.01145 -0.00100 0.01312 0.00057 118 2PZ 0.00160 -0.01992 0.00434 0.02773 -0.01792 119 3S 0.00713 0.06015 -0.03805 -0.09379 0.00111 120 3PX 0.00370 0.03304 0.01208 -0.02382 0.00863 121 3PY -0.00818 -0.03526 0.00552 0.05511 -0.00729 122 3PZ 0.00912 -0.03603 0.01763 0.04421 0.00833 123 4XX -0.00046 -0.00294 0.00032 0.00201 -0.00246 124 4YY -0.00051 0.00016 0.00000 0.00057 0.00010 125 4ZZ -0.00055 0.00088 0.00000 0.00045 0.00027 126 4XY 0.00017 -0.00094 -0.00031 -0.00014 0.00047 127 4XZ 0.00025 0.00017 -0.00046 -0.00175 0.00071 128 4YZ -0.00013 0.00009 -0.00005 -0.00007 0.00070 129 13 C 1S 0.00228 -0.00379 0.00114 0.00311 -0.00116 130 2S -0.00251 0.01216 0.00118 -0.00876 -0.00488 131 2PX -0.00961 0.01821 -0.00505 -0.02211 -0.02702 132 2PY -0.00340 0.00614 -0.00451 -0.00844 -0.00435 133 2PZ 0.00099 -0.00593 -0.00074 -0.00282 0.01800 134 3S -0.01855 0.01248 -0.03111 -0.02061 -0.02749 135 3PX -0.00415 0.01345 -0.01809 -0.03042 -0.01420 136 3PY -0.00504 0.01906 -0.00894 -0.03007 -0.00734 137 3PZ -0.00118 0.02776 -0.01363 -0.04821 0.00314 138 4XX -0.00029 -0.00093 -0.00024 0.00025 -0.00059 139 4YY 0.00012 -0.00022 0.00054 0.00078 0.00044 140 4ZZ -0.00040 0.00224 0.00010 -0.00182 -0.00016 141 4XY -0.00034 0.00076 -0.00014 -0.00109 -0.00080 142 4XZ -0.00031 0.00009 0.00041 0.00039 -0.00116 143 4YZ -0.00010 0.00011 -0.00023 -0.00069 0.00073 144 14 C 1S -0.00036 0.00404 -0.00108 -0.00486 -0.00302 145 2S 0.00121 -0.00894 0.00204 0.01105 0.00783 146 2PX 0.00059 0.00208 0.00350 0.00420 -0.00134 147 2PY 0.00149 0.00085 0.00314 0.00132 -0.00365 148 2PZ -0.00001 0.00992 -0.00004 -0.00776 -0.01230 149 3S 0.00520 -0.02578 0.00375 0.01643 0.00764 150 3PX -0.00117 0.00456 0.01137 0.00984 -0.00275 151 3PY 0.00170 0.00796 0.00147 -0.00791 -0.00054 152 3PZ -0.00313 0.00206 0.00661 0.00188 -0.01043 153 4XX -0.00018 0.00035 0.00002 -0.00015 -0.00035 154 4YY 0.00000 0.00056 0.00024 -0.00030 0.00020 155 4ZZ 0.00014 0.00002 -0.00066 -0.00126 -0.00016 156 4XY -0.00047 0.00080 -0.00022 -0.00112 -0.00093 157 4XZ 0.00016 -0.00059 0.00033 0.00133 0.00111 158 4YZ 0.00015 -0.00081 0.00016 0.00077 0.00109 159 15 C 1S -0.00032 0.00196 0.00012 -0.00038 0.00417 160 2S 0.00189 -0.01053 -0.00069 0.00618 0.00260 161 2PX 0.00260 -0.00512 -0.00505 -0.01085 -0.00467 162 2PY 0.00159 -0.00636 -0.00592 -0.00505 0.00354 163 2PZ -0.00241 0.00385 0.00207 0.00366 0.01629 164 3S -0.01174 0.01339 0.01503 -0.00939 -0.02206 165 3PX 0.00062 -0.00598 -0.01028 -0.00676 -0.00577 166 3PY -0.00710 0.01718 0.00351 -0.01291 -0.01076 167 3PZ -0.00261 0.00465 0.00626 0.01133 0.01417 168 4XX 0.00009 0.00284 -0.00057 -0.00300 -0.00127 169 4YY 0.00025 -0.00074 0.00051 0.00126 0.00029 170 4ZZ 0.00047 -0.00252 -0.00016 0.00186 0.00151 171 4XY -0.00007 0.00087 0.00024 -0.00054 0.00019 172 4XZ -0.00013 -0.00149 0.00050 0.00179 0.00050 173 4YZ -0.00003 -0.00036 0.00001 0.00037 0.00001 174 16 H 1S 0.00005 -0.00034 -0.00008 -0.00141 0.00234 175 2S 0.00190 -0.00462 -0.00423 -0.00298 0.00493 176 17 H 1S 0.00028 0.00315 0.00017 -0.00405 -0.00398 177 2S -0.00270 0.00741 0.00120 -0.00151 -0.00955 178 18 H 1S -0.00116 0.00314 -0.00246 -0.00083 0.00162 179 2S 0.00539 -0.00053 0.00904 -0.00038 0.01044 180 19 H 1S -0.00571 0.00293 -0.00146 -0.00480 -0.01333 181 2S 0.00520 -0.03405 0.03724 0.06461 0.00936 182 20 H 1S 0.00059 -0.00035 0.00238 0.00407 0.00245 183 2S 0.00407 0.00767 -0.00836 -0.00690 0.01129 184 21 H 1S -0.00065 -0.00042 0.00413 0.00615 -0.00284 185 2S -0.00182 0.00851 0.00308 0.00134 -0.00272 186 22 H 1S 0.00218 -0.00116 -0.00040 -0.00143 0.01642 187 2S 0.00416 -0.00434 0.00207 0.00443 0.01705 188 23 H 1S -0.00069 0.00313 -0.00275 -0.00693 -0.00618 189 2S -0.00103 0.01766 -0.00414 -0.02058 -0.01247 71 72 73 74 75 71 3PX 0.26578 72 3PY 0.03228 0.26979 73 3PZ -0.13779 0.03458 0.30851 74 4XX -0.00785 0.00286 0.00301 0.00104 75 4YY 0.00029 -0.02560 -0.00326 -0.00033 0.00294 76 4ZZ 0.00401 0.00371 -0.00472 0.00002 -0.00023 77 4XY -0.01726 -0.00594 0.00506 0.00037 0.00030 78 4XZ -0.00077 -0.00087 -0.00424 0.00009 -0.00005 79 4YZ 0.00508 -0.00252 -0.01812 -0.00023 0.00015 80 8 H 1S 0.00237 -0.00923 0.03206 0.00288 0.00091 81 2S -0.00175 -0.01054 0.04918 0.00109 0.00186 82 9 H 1S -0.02012 -0.01569 -0.00329 -0.00004 0.00060 83 2S -0.04088 -0.03098 0.00721 0.00016 0.00204 84 10 C 1S 0.00134 0.00076 -0.00103 0.00009 0.00004 85 2S -0.00261 0.00013 0.00346 -0.00010 0.00005 86 2PX -0.03878 0.00031 0.03012 -0.00275 -0.00045 87 2PY -0.00824 -0.00031 0.00421 -0.00069 -0.00012 88 2PZ 0.03032 -0.00157 -0.01983 0.00236 0.00073 89 3S -0.01852 -0.01304 0.01211 -0.00048 0.00033 90 3PX -0.03920 -0.00583 0.02957 -0.00241 -0.00017 91 3PY -0.01308 -0.00226 0.00470 -0.00063 0.00018 92 3PZ 0.02231 -0.00876 -0.02175 0.00160 0.00089 93 4XX 0.00021 0.00012 -0.00053 0.00002 0.00002 94 4YY -0.00031 0.00018 0.00030 -0.00002 -0.00002 95 4ZZ -0.00046 0.00004 0.00051 -0.00001 -0.00004 96 4XY -0.00025 -0.00020 -0.00043 -0.00007 -0.00007 97 4XZ -0.00043 -0.00024 0.00015 -0.00002 0.00000 98 4YZ -0.00026 0.00007 -0.00008 0.00004 0.00003 99 11 C 1S 0.00189 -0.00093 -0.00173 -0.00008 -0.00033 100 2S -0.01051 -0.00179 0.00209 -0.00055 -0.00005 101 2PX -0.01370 -0.00431 -0.00205 -0.00230 -0.00142 102 2PY -0.00021 0.00012 -0.00177 0.00019 0.00003 103 2PZ -0.00372 0.00182 0.00526 0.00099 0.00070 104 3S -0.01068 0.02535 0.03139 0.00069 -0.00216 105 3PX -0.01123 0.00766 0.01284 -0.00147 -0.00173 106 3PY -0.01247 0.00281 0.00864 -0.00013 -0.00044 107 3PZ -0.00388 0.00921 0.01390 0.00156 0.00007 108 4XX 0.00200 -0.00036 -0.00202 0.00013 0.00000 109 4YY -0.00128 -0.00012 0.00108 -0.00005 0.00002 110 4ZZ -0.00180 -0.00005 0.00199 -0.00002 0.00003 111 4XY 0.00141 -0.00014 -0.00138 0.00009 0.00000 112 4XZ -0.00017 0.00034 0.00012 0.00000 -0.00002 113 4YZ -0.00239 0.00031 0.00209 -0.00014 -0.00005 114 12 C 1S -0.00393 0.00167 0.00725 0.00024 0.00041 115 2S 0.01001 -0.00082 -0.00761 -0.00022 0.00028 116 2PX 0.05169 -0.00514 -0.04912 0.00249 0.00014 117 2PY -0.01067 -0.00137 0.01409 -0.00102 0.00053 118 2PZ -0.01445 0.00722 0.03125 -0.00083 0.00077 119 3S 0.04693 -0.02465 -0.06965 -0.00102 0.00234 120 3PX 0.02864 0.00709 -0.02554 0.00166 -0.00115 121 3PY -0.02790 0.00345 0.04139 0.00027 -0.00011 122 3PZ -0.02875 0.01326 0.04032 -0.00089 -0.00071 123 4XX -0.00148 0.00033 0.00128 0.00033 -0.00001 124 4YY -0.00019 -0.00005 0.00055 -0.00011 0.00002 125 4ZZ 0.00035 -0.00008 0.00015 -0.00007 -0.00005 126 4XY -0.00083 -0.00030 0.00014 -0.00008 0.00002 127 4XZ -0.00011 -0.00019 -0.00076 -0.00020 0.00001 128 4YZ -0.00009 -0.00017 -0.00036 -0.00001 -0.00004 129 13 C 1S -0.00096 0.00086 0.00116 0.00046 0.00040 130 2S 0.00699 0.00248 -0.00346 -0.00072 -0.00042 131 2PX 0.01208 0.00199 -0.01266 -0.00018 -0.00023 132 2PY 0.00447 -0.00334 -0.00584 -0.00039 0.00003 133 2PZ -0.00653 -0.00534 -0.00685 0.00000 -0.00064 134 3S 0.00874 -0.01881 -0.01343 -0.00045 0.00149 135 3PX 0.01046 -0.00958 -0.01983 -0.00034 0.00081 136 3PY 0.01350 -0.00611 -0.02006 -0.00079 0.00051 137 3PZ 0.01961 -0.01099 -0.03601 -0.00089 0.00054 138 4XX -0.00078 -0.00013 0.00032 -0.00003 -0.00002 139 4YY -0.00045 0.00037 0.00083 -0.00008 -0.00001 140 4ZZ 0.00192 -0.00007 -0.00189 0.00010 0.00000 141 4XY 0.00051 0.00004 -0.00072 -0.00001 -0.00003 142 4XZ -0.00035 0.00063 0.00109 -0.00016 0.00000 143 4YZ -0.00011 -0.00034 -0.00072 -0.00002 -0.00004 144 14 C 1S 0.00391 -0.00036 -0.00479 0.00039 0.00020 145 2S -0.00956 0.00118 0.00936 -0.00038 -0.00039 146 2PX 0.00212 0.00403 0.00351 0.00086 -0.00015 147 2PY 0.00073 0.00359 0.00254 0.00007 0.00010 148 2PZ 0.01197 0.00176 -0.00679 0.00102 0.00069 149 3S -0.02367 0.00329 0.01702 -0.00092 -0.00005 150 3PX 0.00319 0.00886 0.00549 0.00070 -0.00042 151 3PY 0.00614 0.00121 -0.00421 -0.00017 0.00011 152 3PZ 0.00362 0.00583 -0.00022 0.00061 0.00010 153 4XX 0.00055 0.00000 -0.00026 0.00007 0.00001 154 4YY 0.00032 0.00020 -0.00007 -0.00005 -0.00003 155 4ZZ 0.00000 -0.00047 -0.00093 -0.00002 0.00003 156 4XY 0.00060 -0.00006 -0.00079 -0.00004 0.00000 157 4XZ -0.00060 0.00009 0.00109 -0.00003 -0.00006 158 4YZ -0.00079 -0.00008 0.00050 -0.00003 -0.00005 159 15 C 1S 0.00087 -0.00084 -0.00100 0.00013 -0.00035 160 2S -0.00950 -0.00063 0.00695 -0.00070 0.00001 161 2PX -0.00800 -0.00068 -0.00652 -0.00054 0.00039 162 2PY -0.00668 -0.00534 -0.00313 -0.00032 0.00001 163 2PZ 0.00037 -0.00212 0.00013 -0.00035 -0.00100 164 3S 0.00989 0.01202 -0.00809 -0.00027 -0.00009 165 3PX -0.00764 -0.00555 -0.00206 -0.00061 0.00059 166 3PY 0.01268 0.00296 -0.01200 0.00014 -0.00005 167 3PZ 0.00165 0.00118 0.00636 -0.00022 -0.00109 168 4XX 0.00285 -0.00037 -0.00270 0.00027 0.00006 169 4YY -0.00057 0.00046 0.00101 -0.00002 -0.00002 170 4ZZ -0.00228 -0.00020 0.00155 -0.00012 -0.00004 171 4XY 0.00059 0.00018 -0.00056 0.00002 -0.00003 172 4XZ -0.00134 0.00030 0.00155 -0.00009 -0.00004 173 4YZ -0.00031 -0.00001 0.00033 0.00000 -0.00001 174 16 H 1S -0.00114 -0.00026 -0.00126 -0.00010 -0.00015 175 2S -0.00489 -0.00317 -0.00198 -0.00028 0.00000 176 17 H 1S 0.00455 0.00079 -0.00269 0.00028 0.00012 177 2S 0.00836 0.00169 -0.00184 0.00063 0.00018 178 18 H 1S 0.00071 -0.00217 0.00107 -0.00078 0.00045 179 2S -0.00212 0.00531 0.00268 -0.00088 -0.00030 180 19 H 1S -0.00015 0.00175 -0.00079 -0.00054 -0.00055 181 2S -0.02980 0.02632 0.04874 0.00006 -0.00276 182 20 H 1S 0.00061 0.00185 0.00296 0.00050 -0.00015 183 2S 0.00768 -0.00727 -0.00400 0.00018 0.00006 184 21 H 1S 0.00000 0.00403 0.00529 -0.00014 0.00004 185 2S 0.00714 0.00308 0.00040 0.00008 -0.00003 186 22 H 1S -0.00081 -0.00446 -0.00560 0.00021 -0.00032 187 2S -0.00079 -0.00282 -0.00444 0.00130 -0.00042 188 23 H 1S 0.00336 -0.00131 -0.00539 0.00001 0.00039 189 2S 0.01546 -0.00143 -0.01640 0.00042 0.00062 76 77 78 79 80 76 4ZZ 0.00079 77 4XY -0.00034 0.00161 78 4XZ 0.00011 0.00008 0.00045 79 4YZ 0.00019 0.00006 0.00028 0.00151 80 8 H 1S 0.00570 -0.00313 0.00366 -0.00319 0.21549 81 2S 0.00403 -0.00327 0.00123 -0.00428 0.15285 82 9 H 1S -0.00074 -0.00076 -0.00092 -0.00109 -0.01120 83 2S -0.00140 0.00066 -0.00084 -0.00143 -0.00665 84 10 C 1S 0.00015 -0.00003 0.00002 -0.00002 0.00040 85 2S -0.00011 0.00009 -0.00004 0.00009 -0.00107 86 2PX 0.00128 0.00141 0.00042 -0.00003 0.00591 87 2PY -0.00009 0.00026 0.00002 0.00013 -0.00079 88 2PZ -0.00096 -0.00123 -0.00035 0.00002 -0.00432 89 3S -0.00012 0.00098 0.00059 0.00005 0.00813 90 3PX 0.00105 0.00170 0.00058 -0.00005 0.00939 91 3PY 0.00029 0.00061 0.00016 -0.00005 0.00345 92 3PZ -0.00081 -0.00083 -0.00001 0.00032 -0.00179 93 4XX 0.00007 -0.00003 0.00001 -0.00003 0.00094 94 4YY -0.00002 0.00003 0.00000 0.00002 -0.00043 95 4ZZ -0.00003 0.00003 0.00000 0.00000 -0.00017 96 4XY -0.00009 0.00002 0.00001 0.00006 -0.00129 97 4XZ 0.00001 0.00002 0.00001 0.00000 0.00016 98 4YZ 0.00008 0.00001 0.00001 -0.00005 0.00121 99 11 C 1S -0.00035 -0.00003 0.00017 0.00007 0.00083 100 2S 0.00000 0.00064 0.00006 0.00021 -0.00296 101 2PX -0.00131 0.00059 0.00018 0.00132 -0.02683 102 2PY 0.00040 0.00017 0.00001 -0.00016 0.00212 103 2PZ 0.00115 0.00032 0.00009 -0.00089 0.02058 104 3S -0.00044 -0.00004 -0.00101 -0.00163 -0.00649 105 3PX -0.00103 0.00020 -0.00032 0.00030 -0.02163 106 3PY 0.00032 0.00066 0.00012 -0.00037 0.00339 107 3PZ 0.00067 0.00002 -0.00034 -0.00151 0.01690 108 4XX -0.00012 -0.00009 -0.00002 0.00002 -0.00102 109 4YY 0.00001 0.00007 0.00001 0.00000 0.00002 110 4ZZ 0.00007 0.00009 0.00003 -0.00006 0.00110 111 4XY -0.00009 -0.00006 -0.00001 0.00002 -0.00076 112 4XZ 0.00001 0.00000 -0.00002 -0.00001 -0.00068 113 4YZ 0.00008 0.00010 0.00002 -0.00002 0.00057 114 12 C 1S 0.00077 0.00030 0.00009 -0.00035 0.00600 115 2S -0.00013 -0.00069 -0.00043 0.00059 -0.01492 116 2PX -0.00221 -0.00263 -0.00078 0.00104 -0.02504 117 2PY 0.00025 0.00048 0.00004 0.00015 0.00206 118 2PZ 0.00242 0.00036 0.00006 -0.00079 0.02148 119 3S 0.00016 -0.00189 0.00061 0.00343 -0.01940 120 3PX -0.00189 -0.00172 -0.00060 0.00027 -0.02450 121 3PY -0.00023 0.00110 -0.00050 -0.00176 0.00643 122 3PZ 0.00145 0.00119 0.00008 -0.00116 0.01187 123 4XX -0.00001 0.00010 -0.00002 -0.00021 0.00237 124 4YY -0.00003 0.00001 -0.00003 0.00004 -0.00130 125 4ZZ -0.00002 -0.00005 0.00000 0.00000 0.00016 126 4XY 0.00004 0.00003 0.00003 0.00003 0.00041 127 4XZ 0.00007 0.00002 -0.00005 0.00017 -0.00177 128 4YZ -0.00006 0.00002 0.00000 0.00002 -0.00041 129 13 C 1S 0.00021 0.00008 0.00030 -0.00031 0.00045 130 2S 0.00056 -0.00060 -0.00048 0.00067 0.00109 131 2PX 0.00142 -0.00078 -0.00179 0.00146 0.00161 132 2PY 0.00010 -0.00045 -0.00033 0.00046 0.00109 133 2PZ -0.00159 0.00066 0.00045 0.00005 -0.00103 134 3S -0.00030 -0.00034 -0.00070 0.00141 -0.00628 135 3PX 0.00048 -0.00029 -0.00073 0.00148 -0.00653 136 3PY 0.00047 -0.00084 0.00010 0.00138 0.00366 137 3PZ -0.00017 -0.00070 0.00054 0.00194 -0.00270 138 4XX 0.00005 0.00005 -0.00002 0.00000 0.00098 139 4YY 0.00006 0.00001 0.00002 0.00001 0.00039 140 4ZZ -0.00010 -0.00010 0.00001 0.00001 -0.00090 141 4XY 0.00003 -0.00004 -0.00007 0.00006 -0.00011 142 4XZ 0.00024 -0.00003 -0.00005 0.00007 0.00130 143 4YZ -0.00005 0.00002 0.00001 0.00002 -0.00010 144 14 C 1S 0.00013 -0.00012 -0.00004 0.00012 -0.00132 145 2S 0.00006 0.00032 0.00003 -0.00006 0.00099 146 2PX -0.00014 -0.00017 -0.00017 0.00007 -0.00111 147 2PY 0.00042 0.00007 0.00007 -0.00019 0.00171 148 2PZ -0.00005 -0.00049 -0.00004 -0.00002 -0.00124 149 3S 0.00064 0.00066 0.00026 -0.00011 0.01424 150 3PX -0.00017 -0.00030 -0.00021 -0.00039 0.00071 151 3PY 0.00046 -0.00028 0.00025 0.00016 0.00473 152 3PZ 0.00006 -0.00015 -0.00019 -0.00026 -0.00305 153 4XX -0.00005 -0.00001 -0.00001 0.00000 -0.00050 154 4YY 0.00001 -0.00001 -0.00001 0.00005 -0.00037 155 4ZZ 0.00004 -0.00001 0.00001 0.00000 0.00053 156 4XY 0.00004 -0.00002 -0.00005 0.00005 -0.00014 157 4XZ -0.00004 0.00002 -0.00001 0.00002 -0.00044 158 4YZ -0.00005 0.00005 0.00001 -0.00001 -0.00009 159 15 C 1S -0.00059 0.00006 -0.00001 0.00000 -0.00217 160 2S 0.00049 0.00032 0.00012 -0.00005 0.00569 161 2PX 0.00161 -0.00006 0.00024 -0.00046 0.01887 162 2PY 0.00047 -0.00005 0.00009 -0.00022 0.00820 163 2PZ -0.00143 0.00023 -0.00015 0.00048 -0.01269 164 3S 0.00112 -0.00078 -0.00042 -0.00012 0.00326 165 3PX 0.00155 -0.00003 0.00039 -0.00021 0.01990 166 3PY 0.00034 -0.00066 -0.00024 0.00012 -0.00385 167 3PZ -0.00116 0.00012 -0.00009 0.00030 -0.01165 168 4XX -0.00011 -0.00012 -0.00002 -0.00002 -0.00039 169 4YY -0.00001 0.00005 0.00001 0.00000 -0.00023 170 4ZZ 0.00003 0.00008 0.00002 -0.00004 0.00048 171 4XY -0.00002 -0.00001 0.00000 0.00001 -0.00024 172 4XZ 0.00003 0.00007 0.00001 0.00002 0.00001 173 4YZ 0.00001 0.00001 0.00000 -0.00002 0.00028 174 16 H 1S 0.00007 0.00012 0.00005 -0.00001 0.00095 175 2S 0.00022 0.00030 0.00015 -0.00001 0.00361 176 17 H 1S 0.00003 -0.00020 -0.00012 -0.00002 -0.00193 177 2S -0.00002 -0.00051 -0.00021 -0.00026 -0.00035 178 18 H 1S -0.00011 -0.00008 -0.00013 0.00054 -0.00805 179 2S 0.00018 0.00009 0.00014 0.00048 -0.00416 180 19 H 1S 0.00098 -0.00014 -0.00117 0.00064 0.00507 181 2S 0.00098 0.00087 -0.00114 -0.00220 0.01532 182 20 H 1S -0.00026 -0.00004 -0.00001 0.00004 -0.00257 183 2S -0.00050 -0.00018 0.00031 0.00058 -0.00622 184 21 H 1S 0.00006 0.00017 0.00000 0.00008 -0.00202 185 2S -0.00024 -0.00002 -0.00006 0.00028 -0.00894 186 22 H 1S -0.00157 0.00023 0.00065 -0.00028 -0.00511 187 2S -0.00217 0.00037 0.00047 -0.00097 -0.01065 188 23 H 1S 0.00029 -0.00021 -0.00001 -0.00001 0.00248 189 2S 0.00048 -0.00079 -0.00008 0.00007 0.00447 81 82 83 84 85 81 2S 0.12396 82 9 H 1S -0.00665 0.21549 83 2S 0.00087 0.15285 0.12396 84 10 C 1S 0.00059 0.00083 0.00005 2.05271 85 2S -0.00059 -0.00296 -0.00132 -0.06213 0.32496 86 2PX 0.02536 -0.02682 -0.01967 0.00133 0.00226 87 2PY -0.00062 -0.00212 -0.00411 0.00053 0.00162 88 2PZ -0.01693 0.02058 0.00494 -0.00083 0.00777 89 3S 0.00617 -0.00649 -0.00201 -0.16067 0.24765 90 3PX 0.02183 -0.02163 -0.01156 0.00664 -0.02276 91 3PY 0.00527 -0.00339 -0.00512 0.00378 -0.01621 92 3PZ -0.01227 0.01689 0.00920 0.00494 -0.01459 93 4XX 0.00117 -0.00102 -0.00139 -0.01431 -0.00947 94 4YY -0.00052 0.00002 0.00026 -0.01700 -0.00308 95 4ZZ -0.00024 0.00110 0.00140 -0.01612 -0.00535 96 4XY -0.00125 0.00076 0.00166 -0.00088 0.00123 97 4XZ 0.00024 -0.00068 -0.00025 -0.00455 0.00944 98 4YZ 0.00070 -0.00057 -0.00089 -0.00203 0.00342 99 11 C 1S 0.00005 0.00040 0.00059 0.01672 -0.03254 100 2S -0.00132 -0.00107 -0.00059 -0.03254 0.05577 101 2PX -0.01968 0.00591 0.02536 0.00480 -0.01029 102 2PY 0.00412 0.00079 0.00061 0.07797 -0.16058 103 2PZ 0.00495 -0.00432 -0.01693 -0.00359 0.00090 104 3S -0.00200 0.00813 0.00618 -0.00468 0.03451 105 3PX -0.01156 0.00940 0.02183 0.00094 0.00533 106 3PY 0.00512 -0.00345 -0.00528 0.01400 -0.04349 107 3PZ 0.00921 -0.00179 -0.01227 -0.00371 0.00939 108 4XX -0.00140 0.00094 0.00117 0.00249 -0.00552 109 4YY 0.00026 -0.00043 -0.00052 -0.00695 0.01218 110 4ZZ 0.00140 -0.00018 -0.00024 0.00269 -0.00612 111 4XY -0.00166 0.00129 0.00125 -0.00016 -0.00021 112 4XZ -0.00025 0.00016 0.00024 0.00058 -0.00150 113 4YZ 0.00089 -0.00121 -0.00070 -0.00018 -0.00010 114 12 C 1S 0.00674 -0.00217 -0.00428 -0.00340 0.00831 115 2S -0.01323 0.00570 0.00822 0.00823 -0.01879 116 2PX -0.02736 0.01886 0.02244 -0.00832 0.02655 117 2PY 0.00706 -0.00820 -0.01240 -0.01167 0.02675 118 2PZ 0.02822 -0.01269 -0.02171 -0.00446 0.01369 119 3S -0.02511 0.00326 0.00516 0.00597 -0.02039 120 3PX -0.02492 0.01990 0.02251 -0.00436 0.01395 121 3PY 0.01126 0.00386 0.00369 -0.00283 0.01068 122 3PZ 0.01827 -0.01165 -0.01651 -0.00411 0.00852 123 4XX 0.00128 -0.00039 -0.00119 0.00055 -0.00122 124 4YY -0.00061 -0.00023 -0.00023 -0.00184 0.00439 125 4ZZ 0.00053 0.00048 0.00102 0.00071 -0.00116 126 4XY 0.00025 0.00024 0.00025 -0.00099 0.00185 127 4XZ -0.00071 0.00001 0.00013 0.00063 -0.00122 128 4YZ -0.00067 -0.00028 -0.00010 -0.00075 0.00145 129 13 C 1S 0.00048 -0.00132 -0.00232 -0.00267 0.00503 130 2S 0.00573 0.00099 0.00125 0.00479 -0.00883 131 2PX 0.00505 -0.00111 -0.00626 -0.00207 0.00443 132 2PY -0.00098 -0.00171 -0.00757 -0.00390 0.00856 133 2PZ -0.00802 -0.00124 -0.00091 -0.00787 0.01255 134 3S -0.00089 0.01425 0.01825 0.01324 -0.02297 135 3PX -0.00371 0.00070 -0.00230 -0.00105 0.00171 136 3PY 0.00288 -0.00473 -0.00674 -0.00348 0.00737 137 3PZ -0.00756 -0.00306 -0.00338 -0.00485 0.00736 138 4XX 0.00068 -0.00050 -0.00091 -0.00029 0.00034 139 4YY 0.00064 -0.00037 -0.00020 -0.00010 0.00024 140 4ZZ -0.00135 0.00053 0.00066 0.00024 -0.00041 141 4XY 0.00020 0.00014 -0.00005 0.00007 -0.00035 142 4XZ 0.00175 -0.00044 -0.00083 0.00019 -0.00044 143 4YZ -0.00041 0.00009 0.00029 0.00020 -0.00081 144 14 C 1S -0.00232 0.00046 0.00048 -0.00300 0.00562 145 2S 0.00125 0.00109 0.00573 0.00649 -0.01505 146 2PX -0.00626 0.00160 0.00505 -0.00840 0.02187 147 2PY 0.00757 -0.00109 0.00098 -0.00131 0.00318 148 2PZ -0.00090 -0.00102 -0.00801 -0.01208 0.03132 149 3S 0.01824 -0.00630 -0.00091 0.00759 -0.01647 150 3PX -0.00230 -0.00653 -0.00371 -0.00455 0.00904 151 3PY 0.00674 -0.00366 -0.00288 -0.00411 0.00872 152 3PZ -0.00337 -0.00269 -0.00755 -0.00802 0.01864 153 4XX -0.00091 0.00098 0.00068 -0.00114 0.00235 154 4YY -0.00020 0.00039 0.00064 0.00068 -0.00152 155 4ZZ 0.00066 -0.00090 -0.00135 -0.00030 0.00016 156 4XY 0.00005 0.00011 -0.00020 0.00024 -0.00073 157 4XZ -0.00083 0.00130 0.00175 -0.00130 0.00292 158 4YZ -0.00029 0.00010 0.00041 0.00054 -0.00141 159 15 C 1S -0.00428 0.00600 0.00674 0.01788 -0.03602 160 2S 0.00822 -0.01491 -0.01323 -0.03384 0.06176 161 2PX 0.02244 -0.02504 -0.02735 0.05514 -0.11749 162 2PY 0.01240 -0.00207 -0.00707 -0.03906 0.07547 163 2PZ -0.02171 0.02148 0.02821 0.04363 -0.08979 164 3S 0.00517 -0.01939 -0.02509 -0.00917 0.03347 165 3PX 0.02251 -0.02450 -0.02492 0.01230 -0.03508 166 3PY -0.00369 -0.00643 -0.01125 -0.00984 0.02574 167 3PZ -0.01651 0.01187 0.01827 0.00436 -0.01208 168 4XX -0.00119 0.00237 0.00128 -0.00196 0.00317 169 4YY -0.00023 -0.00130 -0.00061 0.00153 -0.00338 170 4ZZ 0.00102 0.00016 0.00053 0.00017 -0.00118 171 4XY -0.00025 -0.00041 -0.00025 0.00334 -0.00665 172 4XZ 0.00013 -0.00177 -0.00071 -0.00415 0.00766 173 4YZ 0.00010 0.00041 0.00067 0.00299 -0.00599 174 16 H 1S -0.00010 -0.00193 0.00431 -0.06016 0.11224 175 2S 0.00234 -0.00036 0.00495 -0.01303 0.02496 176 17 H 1S 0.00432 0.00095 -0.00010 0.01228 -0.02562 177 2S 0.00495 0.00362 0.00234 0.01464 -0.02568 178 18 H 1S -0.00435 -0.00202 -0.00284 -0.00849 0.01865 179 2S -0.00116 -0.00894 -0.01063 -0.01195 0.02528 180 19 H 1S 0.00721 -0.00256 -0.00697 -0.00059 0.00017 181 2S 0.01712 -0.00622 -0.01088 -0.00092 -0.00024 182 20 H 1S -0.00697 0.00507 0.00721 -0.00759 0.01927 183 2S -0.01089 0.01533 0.01713 -0.01116 0.02904 184 21 H 1S -0.00285 -0.00804 -0.00434 0.01211 -0.02454 185 2S -0.01062 -0.00415 -0.00116 0.01361 -0.02472 186 22 H 1S -0.00977 0.00248 0.00465 -0.00137 0.00184 187 2S -0.01718 0.00447 0.00591 -0.00228 0.00336 188 23 H 1S 0.00465 -0.00511 -0.00977 0.00157 -0.00346 189 2S 0.00591 -0.01065 -0.01717 0.00141 -0.00404 86 87 88 89 90 86 2PX 0.36897 87 2PY 0.00011 0.41336 88 2PZ 0.03333 -0.00266 0.39022 89 3S -0.01951 0.01123 -0.02947 0.25008 90 3PX 0.18139 0.01273 -0.07523 -0.00530 0.11998 91 3PY 0.01321 0.13842 -0.02578 0.00772 0.02130 92 3PZ -0.05968 -0.00572 0.16792 -0.01273 -0.06577 93 4XX 0.00800 -0.00593 -0.00344 -0.00562 0.00526 94 4YY -0.00427 0.01307 -0.00039 -0.00311 -0.00157 95 4ZZ -0.00689 -0.01026 -0.00257 -0.00246 -0.00264 96 4XY -0.00498 0.00025 -0.01075 0.00261 0.00016 97 4XZ -0.00068 -0.00920 -0.00219 0.00814 -0.00041 98 4YZ -0.00949 -0.00195 -0.01031 0.00706 -0.00159 99 11 C 1S 0.00478 -0.07797 -0.00360 -0.00467 0.00094 100 2S -0.01027 0.16058 0.00092 0.03450 0.00533 101 2PX 0.11572 -0.00853 -0.08834 -0.00798 0.08530 102 2PY 0.00847 -0.31237 -0.00042 -0.12660 0.01486 103 2PZ -0.08833 0.00038 0.08702 0.05752 -0.03723 104 3S -0.00796 0.12659 0.05755 -0.01750 -0.01591 105 3PX 0.08530 -0.01488 -0.03723 -0.01591 0.04726 106 3PY 0.01550 -0.09114 -0.01192 -0.01404 0.01987 107 3PZ -0.04784 -0.01856 0.07391 0.02529 -0.03342 108 4XX 0.00010 -0.00873 -0.00017 -0.00630 -0.00086 109 4YY 0.00109 0.00580 0.00050 0.01205 -0.00009 110 4ZZ 0.00091 -0.00925 -0.00155 -0.00574 0.00114 111 4XY -0.01297 -0.00145 0.00018 0.00225 -0.00623 112 4XZ 0.00061 -0.00312 0.00043 -0.00359 0.00029 113 4YZ -0.00005 0.00022 -0.01358 0.00428 0.00435 114 12 C 1S 0.00083 0.01224 0.00587 -0.00303 -0.00672 115 2S -0.00174 -0.03290 -0.01501 -0.01977 0.00622 116 2PX -0.00638 0.03169 0.02711 -0.05034 -0.04989 117 2PY 0.00246 0.03373 0.00710 0.09132 0.00085 118 2PZ 0.02038 0.01505 -0.00551 -0.01050 0.00961 119 3S -0.03770 -0.02415 -0.04547 -0.00894 -0.00719 120 3PX -0.00490 0.01849 0.03621 -0.03722 -0.03354 121 3PY 0.00152 -0.00564 0.01117 0.02368 -0.00136 122 3PZ 0.03958 0.02545 -0.01414 0.01302 0.03089 123 4XX -0.00654 -0.00245 0.00490 -0.00039 -0.00408 124 4YY 0.00163 0.00978 0.00043 0.00672 0.00057 125 4ZZ 0.00388 -0.00241 -0.00350 -0.00419 0.00209 126 4XY -0.00106 0.00569 0.00147 0.00341 0.00024 127 4XZ 0.00247 -0.00138 -0.00179 -0.00159 0.00231 128 4YZ 0.00231 0.00452 -0.00111 0.00237 0.00190 129 13 C 1S 0.00128 0.00375 0.00577 0.01091 0.00010 130 2S 0.00214 -0.00681 -0.01509 -0.02105 0.00217 131 2PX -0.00674 0.00763 0.00881 0.01311 -0.00580 132 2PY 0.02848 -0.01161 0.00381 0.01905 0.01993 133 2PZ -0.01132 0.02367 0.02037 0.07872 0.00222 134 3S -0.02357 -0.03017 -0.00945 -0.06109 -0.01894 135 3PX -0.00051 0.00183 0.00166 0.00820 -0.00075 136 3PY 0.02761 -0.00892 -0.00192 0.01690 0.01748 137 3PZ -0.00613 0.02432 0.00452 0.04098 0.00212 138 4XX -0.00037 -0.00022 0.00077 0.00343 0.00067 139 4YY 0.00061 0.00192 -0.00177 0.00111 0.00062 140 4ZZ 0.00010 -0.00197 0.00059 -0.00283 -0.00075 141 4XY -0.00023 0.00100 -0.00059 -0.00078 -0.00013 142 4XZ 0.00102 -0.00088 -0.00064 -0.00001 0.00164 143 4YZ -0.00128 0.00015 -0.00008 0.00127 0.00001 144 14 C 1S 0.00514 -0.00155 0.01145 0.00522 0.00086 145 2S -0.01444 0.00592 -0.02805 -0.00898 0.00033 146 2PX -0.00067 -0.01088 0.03290 0.02769 -0.00835 147 2PY 0.00228 0.00421 0.00688 -0.00917 -0.00778 148 2PZ 0.04903 -0.00703 0.02307 0.00219 0.01027 149 3S 0.00174 -0.01091 -0.07811 0.01674 0.02532 150 3PX -0.00128 -0.00744 0.01497 0.00630 -0.00640 151 3PY 0.00734 0.00450 0.02096 0.01091 -0.00283 152 3PZ 0.04076 0.00837 0.02261 -0.00609 0.00784 153 4XX -0.00086 -0.00219 0.00526 0.00156 -0.00186 154 4YY -0.00310 0.00171 -0.00200 -0.00276 -0.00146 155 4ZZ 0.00630 -0.00095 -0.00133 0.00089 0.00367 156 4XY -0.00134 -0.00013 0.00012 -0.00124 -0.00085 157 4XZ -0.00156 -0.00304 0.00928 0.00203 -0.00284 158 4YZ -0.00384 0.00173 -0.00056 0.00073 -0.00128 159 15 C 1S -0.05991 0.03621 -0.04300 0.01166 -0.00739 160 2S 0.12166 -0.07536 0.08347 0.01682 0.03363 161 2PX 0.00709 0.13526 -0.24258 -0.04580 0.07528 162 2PY 0.13787 -0.05076 0.06404 0.10482 0.06145 163 2PZ -0.21173 0.08012 -0.01510 -0.05015 -0.08999 164 3S 0.13110 -0.05002 0.09080 -0.02630 0.02878 165 3PX 0.04975 0.06232 -0.12907 0.00785 0.06573 166 3PY 0.05358 -0.00541 0.02377 0.01881 0.01760 167 3PZ -0.09571 0.03267 0.02879 -0.00661 -0.05088 168 4XX -0.01090 -0.00515 0.00700 0.00431 -0.00751 169 4YY -0.00154 0.01234 -0.00144 -0.00596 -0.00072 170 4ZZ 0.00180 -0.00099 -0.01328 0.00226 0.00471 171 4XY -0.00346 -0.00259 -0.00806 -0.00401 0.00042 172 4XZ 0.00321 -0.00661 0.00046 0.00598 0.00115 173 4YZ -0.00806 -0.00166 -0.00179 -0.00437 -0.00323 174 16 H 1S -0.13266 -0.13074 -0.18748 0.11509 -0.03242 175 2S -0.12152 -0.11783 -0.18086 0.05423 -0.01789 176 17 H 1S 0.01875 -0.04295 0.01318 -0.06039 -0.00249 177 2S 0.03388 -0.08634 0.03936 -0.06761 -0.00573 178 18 H 1S 0.00146 0.03521 0.00130 0.05609 0.00089 179 2S 0.01056 0.06878 0.00305 0.06423 0.00666 180 19 H 1S 0.00193 0.00229 -0.00060 0.01949 0.00704 181 2S 0.00532 0.00698 -0.00760 0.02802 0.01616 182 20 H 1S 0.00233 -0.01533 0.03244 0.01769 -0.00668 183 2S -0.00205 -0.02105 0.07096 0.02302 -0.01669 184 21 H 1S -0.02454 0.03576 -0.01200 -0.06200 -0.01712 185 2S -0.04780 0.07143 -0.01045 -0.05922 -0.02896 186 22 H 1S -0.00285 -0.00018 0.00657 0.02056 0.00050 187 2S -0.01502 -0.00379 0.01956 0.01847 -0.01193 188 23 H 1S 0.02933 0.00309 -0.02865 -0.01229 0.01935 189 2S 0.02931 -0.00014 -0.02535 -0.01121 0.01789 91 92 93 94 95 91 3PY 0.06236 92 3PZ -0.01395 0.09329 93 4XX 0.00006 -0.00248 0.00092 94 4YY 0.00297 0.00079 -0.00023 0.00114 95 4ZZ -0.00301 0.00047 0.00022 -0.00019 0.00089 96 4XY -0.00037 -0.00330 -0.00019 0.00000 0.00032 97 4XZ -0.00261 -0.00111 -0.00007 -0.00048 0.00026 98 4YZ 0.00072 -0.00212 0.00003 -0.00014 0.00011 99 11 C 1S -0.01400 -0.00371 0.00249 -0.00695 0.00269 100 2S 0.04348 0.00940 -0.00552 0.01218 -0.00612 101 2PX -0.01553 -0.04784 0.00011 0.00108 0.00091 102 2PY -0.09114 0.01854 0.00873 -0.00580 0.00925 103 2PZ 0.01190 0.07391 -0.00017 0.00050 -0.00154 104 3S 0.01403 0.02529 -0.00630 0.01205 -0.00574 105 3PX -0.01988 -0.03342 -0.00086 -0.00009 0.00114 106 3PY -0.01363 0.00058 0.00383 -0.00269 0.00259 107 3PZ -0.00058 0.04481 0.00015 -0.00090 -0.00105 108 4XX -0.00383 0.00015 0.00022 -0.00029 0.00036 109 4YY 0.00269 -0.00090 -0.00029 -0.00016 -0.00028 110 4ZZ -0.00259 -0.00106 0.00036 -0.00028 0.00033 111 4XY -0.00083 0.00341 -0.00031 0.00013 0.00028 112 4XZ -0.00186 0.00022 0.00000 0.00023 0.00005 113 4YZ 0.00192 -0.00545 0.00020 -0.00009 0.00003 114 12 C 1S 0.00510 -0.00511 0.00018 -0.00096 -0.00025 115 2S -0.01885 -0.00130 -0.00040 0.00214 0.00080 116 2PX -0.02123 -0.00966 -0.00314 -0.00147 0.00075 117 2PY 0.05079 -0.00106 0.00096 -0.00421 -0.00076 118 2PZ 0.00766 -0.02947 0.00187 -0.00324 -0.00147 119 3S -0.01227 -0.00388 0.00002 0.00135 0.00112 120 3PX -0.01960 0.00655 -0.00305 0.00079 0.00046 121 3PY 0.00590 0.00063 -0.00037 -0.00088 0.00001 122 3PZ 0.01855 -0.02248 0.00162 -0.00087 -0.00208 123 4XX -0.00039 0.00387 0.00008 0.00005 -0.00004 124 4YY 0.00498 -0.00061 -0.00015 -0.00003 -0.00027 125 4ZZ -0.00247 -0.00267 0.00001 -0.00001 0.00015 126 4XY 0.00201 0.00151 -0.00021 0.00031 -0.00018 127 4XZ -0.00038 -0.00107 0.00001 0.00021 0.00003 128 4YZ 0.00139 -0.00022 -0.00008 0.00023 -0.00018 129 13 C 1S 0.00349 0.00343 0.00000 -0.00020 -0.00037 130 2S -0.00597 -0.00990 0.00002 0.00036 0.00057 131 2PX 0.01726 0.00098 0.00032 0.00065 -0.00085 132 2PY -0.00709 -0.00331 0.00082 -0.00190 0.00047 133 2PZ 0.02448 0.03398 -0.00066 0.00059 -0.00074 134 3S -0.02945 -0.00435 -0.00152 0.00205 0.00193 135 3PX 0.00912 -0.00002 0.00052 -0.00004 -0.00043 136 3PY -0.00055 -0.00540 0.00108 -0.00223 0.00055 137 3PZ 0.01698 0.01556 -0.00033 0.00057 -0.00069 138 4XX 0.00109 0.00115 0.00006 0.00000 -0.00005 139 4YY 0.00183 -0.00139 0.00004 -0.00008 0.00000 140 4ZZ -0.00254 0.00033 -0.00006 0.00004 0.00005 141 4XY 0.00123 -0.00081 -0.00002 0.00002 0.00008 142 4XZ 0.00060 -0.00082 0.00009 0.00005 -0.00005 143 4YZ 0.00086 0.00131 0.00003 -0.00008 0.00019 144 14 C 1S -0.00403 0.00805 -0.00046 0.00081 -0.00156 145 2S 0.00849 -0.01522 0.00036 -0.00158 0.00302 146 2PX -0.02937 0.02849 -0.00027 0.00138 -0.00378 147 2PY 0.00648 0.00236 -0.00009 0.00124 -0.00210 148 2PZ -0.03195 -0.00731 -0.00133 0.00397 -0.00733 149 3S 0.02143 -0.03851 0.00276 -0.00435 0.00350 150 3PX -0.01540 0.01190 -0.00006 0.00070 -0.00170 151 3PY 0.00708 0.00932 0.00007 -0.00008 -0.00119 152 3PZ -0.01122 -0.00484 -0.00042 0.00203 -0.00434 153 4XX -0.00297 0.00260 -0.00019 0.00007 -0.00013 154 4YY -0.00003 -0.00033 -0.00015 0.00035 -0.00005 155 4ZZ 0.00189 -0.00193 0.00036 -0.00033 0.00002 156 4XY 0.00104 -0.00037 -0.00004 0.00002 0.00015 157 4XZ -0.00235 0.00493 -0.00027 -0.00010 0.00019 158 4YZ 0.00183 0.00127 -0.00005 0.00011 0.00019 159 15 C 1S 0.00605 0.00475 -0.00160 0.00118 -0.00024 160 2S -0.00950 0.00613 0.00278 -0.00343 0.00008 161 2PX 0.09236 -0.09987 0.00836 0.00219 -0.00219 162 2PY 0.00966 0.00562 0.00424 -0.01331 0.00189 163 2PZ 0.03205 0.03879 -0.00521 0.00246 0.01017 164 3S -0.00108 0.00199 0.00396 -0.00287 -0.00162 165 3PX 0.05178 -0.06093 0.00568 -0.00025 -0.00269 166 3PY 0.00217 -0.00261 0.00159 -0.00408 -0.00056 167 3PZ -0.00023 0.03337 -0.00483 0.00198 0.00448 168 4XX -0.00330 0.00592 -0.00025 -0.00020 0.00012 169 4YY 0.00312 -0.00082 -0.00024 0.00096 -0.00047 170 4ZZ 0.00133 -0.00632 0.00025 -0.00037 0.00030 171 4XY 0.00006 -0.00233 0.00028 -0.00009 0.00028 172 4XZ -0.00283 -0.00064 -0.00009 -0.00031 0.00010 173 4YZ 0.00034 0.00096 0.00001 0.00002 0.00044 174 16 H 1S -0.03911 -0.05972 -0.00192 -0.00407 0.00550 175 2S -0.02557 -0.05144 0.00069 -0.00362 0.00647 176 17 H 1S -0.01989 -0.00279 0.00081 0.00186 0.00079 177 2S -0.03824 0.00226 0.00160 -0.00151 0.00192 178 18 H 1S 0.03258 -0.00069 -0.00029 -0.00127 -0.00082 179 2S 0.04800 -0.00210 -0.00007 -0.00118 -0.00192 180 19 H 1S 0.01407 0.00038 0.00055 0.00013 -0.00008 181 2S 0.02154 -0.00396 0.00080 0.00006 -0.00013 182 20 H 1S -0.02873 0.01867 -0.00089 0.00033 -0.00156 183 2S -0.03782 0.03879 -0.00252 0.00077 -0.00124 184 21 H 1S 0.00229 -0.00667 -0.00145 0.00806 -0.00273 185 2S 0.00593 -0.00120 -0.00308 0.00889 -0.00329 186 22 H 1S -0.00488 0.01533 -0.00054 -0.00031 0.00069 187 2S -0.00768 0.02317 -0.00055 -0.00064 0.00071 188 23 H 1S 0.00435 -0.03018 0.00081 -0.00014 -0.00072 189 2S 0.00455 -0.02564 0.00164 -0.00013 -0.00169 96 97 98 99 100 96 4XY 0.00095 97 4XZ 0.00017 0.00067 98 4YZ 0.00042 0.00028 0.00117 99 11 C 1S 0.00016 0.00058 0.00018 2.05271 100 2S 0.00021 -0.00150 0.00010 -0.06213 0.32496 101 2PX 0.01297 0.00061 0.00005 0.00133 0.00226 102 2PY -0.00146 0.00312 0.00021 -0.00053 -0.00162 103 2PZ -0.00018 0.00043 0.01358 -0.00083 0.00777 104 3S -0.00225 -0.00359 -0.00428 -0.16067 0.24765 105 3PX 0.00623 0.00029 -0.00435 0.00664 -0.02275 106 3PY -0.00083 0.00186 0.00192 -0.00378 0.01622 107 3PZ -0.00341 0.00022 0.00545 0.00494 -0.01459 108 4XX 0.00031 0.00000 -0.00020 -0.01431 -0.00947 109 4YY -0.00013 0.00023 0.00009 -0.01700 -0.00308 110 4ZZ -0.00028 0.00005 -0.00003 -0.01612 -0.00535 111 4XY 0.00043 0.00005 0.00050 0.00088 -0.00123 112 4XZ -0.00005 0.00004 -0.00011 -0.00455 0.00944 113 4YZ 0.00050 0.00011 0.00081 0.00203 -0.00343 114 12 C 1S -0.00180 -0.00009 -0.00116 0.01788 -0.03602 115 2S 0.00376 0.00016 0.00224 -0.03384 0.06176 116 2PX 0.00179 -0.00173 -0.01077 0.05515 -0.11750 117 2PY -0.00591 0.00001 -0.00219 0.03904 -0.07544 118 2PZ -0.00819 -0.00049 0.00079 0.04364 -0.08981 119 3S 0.00563 0.00037 0.00433 -0.00917 0.03347 120 3PX 0.00236 -0.00133 -0.00703 0.01230 -0.03508 121 3PY -0.00276 -0.00020 -0.00146 0.00984 -0.02572 122 3PZ -0.00457 -0.00042 0.00175 0.00436 -0.01209 123 4XX -0.00039 -0.00001 0.00032 -0.00196 0.00317 124 4YY -0.00013 -0.00009 -0.00012 0.00153 -0.00338 125 4ZZ 0.00015 -0.00001 -0.00047 0.00017 -0.00118 126 4XY 0.00009 -0.00005 0.00023 -0.00334 0.00665 127 4XZ 0.00008 0.00004 0.00001 -0.00415 0.00766 128 4YZ 0.00029 -0.00004 0.00003 -0.00299 0.00599 129 13 C 1S 0.00004 0.00009 0.00021 -0.00300 0.00562 130 2S -0.00040 -0.00017 -0.00066 0.00650 -0.01505 131 2PX -0.00037 -0.00006 0.00122 -0.00839 0.02187 132 2PY 0.00034 0.00073 -0.00083 0.00131 -0.00319 133 2PZ 0.00159 0.00000 0.00019 -0.01208 0.03132 134 3S 0.00050 -0.00079 -0.00335 0.00759 -0.01647 135 3PX -0.00021 0.00014 0.00073 -0.00454 0.00903 136 3PY 0.00015 0.00102 -0.00066 0.00411 -0.00873 137 3PZ 0.00145 -0.00003 0.00060 -0.00802 0.01863 138 4XX -0.00006 0.00003 0.00020 -0.00114 0.00235 139 4YY -0.00012 0.00001 0.00000 0.00068 -0.00152 140 4ZZ 0.00026 -0.00002 -0.00013 -0.00030 0.00016 141 4XY 0.00008 0.00002 0.00000 -0.00024 0.00073 142 4XZ -0.00014 0.00004 0.00038 -0.00130 0.00293 143 4YZ 0.00027 0.00018 0.00006 -0.00054 0.00141 144 14 C 1S -0.00079 -0.00073 -0.00027 -0.00267 0.00503 145 2S 0.00173 0.00157 0.00069 0.00479 -0.00883 146 2PX -0.00102 -0.00129 -0.00015 -0.00207 0.00444 147 2PY -0.00250 -0.00115 0.00024 0.00390 -0.00856 148 2PZ -0.00401 -0.00608 -0.00074 -0.00786 0.01255 149 3S 0.00172 0.00278 0.00357 0.01324 -0.02297 150 3PX -0.00039 -0.00060 -0.00017 -0.00106 0.00172 151 3PY -0.00209 -0.00026 -0.00024 0.00348 -0.00738 152 3PZ -0.00270 -0.00305 -0.00127 -0.00485 0.00736 153 4XX -0.00006 -0.00013 -0.00012 -0.00029 0.00034 154 4YY 0.00000 -0.00017 -0.00008 -0.00010 0.00024 155 4ZZ -0.00010 0.00024 0.00004 0.00024 -0.00041 156 4XY 0.00001 0.00004 -0.00002 -0.00007 0.00035 157 4XZ 0.00001 0.00024 -0.00032 0.00019 -0.00044 158 4YZ 0.00008 0.00012 -0.00005 -0.00020 0.00082 159 15 C 1S 0.00373 -0.00330 0.00332 -0.00340 0.00831 160 2S -0.00671 0.00637 -0.00626 0.00823 -0.01880 161 2PX 0.00235 -0.00296 0.00857 -0.00832 0.02655 162 2PY 0.00163 0.00724 0.00162 0.01167 -0.02675 163 2PZ 0.00838 0.00074 0.00096 -0.00446 0.01368 164 3S -0.00854 0.00402 -0.00762 0.00597 -0.02038 165 3PX -0.00001 -0.00054 0.00548 -0.00436 0.01394 166 3PY 0.00027 0.00162 0.00012 0.00283 -0.01068 167 3PZ 0.00455 0.00042 -0.00162 -0.00411 0.00852 168 4XX 0.00005 0.00004 0.00034 0.00055 -0.00122 169 4YY -0.00024 -0.00056 -0.00029 -0.00184 0.00439 170 4ZZ 0.00056 0.00018 0.00043 0.00071 -0.00116 171 4XY 0.00027 -0.00003 0.00026 0.00099 -0.00185 172 4XZ 0.00010 0.00045 -0.00003 0.00063 -0.00122 173 4YZ 0.00010 0.00005 0.00013 0.00075 -0.00145 174 16 H 1S 0.00785 0.00828 0.01087 0.01228 -0.02562 175 2S 0.00774 0.00608 0.01062 0.01464 -0.02568 176 17 H 1S -0.00512 -0.00002 -0.00716 -0.06016 0.11224 177 2S -0.00529 0.00049 -0.00783 -0.01303 0.02496 178 18 H 1S -0.00167 -0.00028 -0.00090 0.01211 -0.02454 179 2S -0.00249 -0.00048 -0.00055 0.01361 -0.02472 180 19 H 1S 0.00000 0.00035 0.00131 -0.00759 0.01927 181 2S -0.00028 0.00060 0.00304 -0.01116 0.02904 182 20 H 1S -0.00015 -0.00073 -0.00083 -0.00059 0.00017 183 2S -0.00045 -0.00081 -0.00265 -0.00092 -0.00024 184 21 H 1S -0.00411 -0.00313 -0.00349 -0.00849 0.01865 185 2S -0.00215 -0.00474 -0.00262 -0.01195 0.02528 186 22 H 1S 0.00159 0.00023 -0.00150 0.00158 -0.00347 187 2S 0.00181 0.00036 -0.00143 0.00142 -0.00405 188 23 H 1S -0.00062 -0.00133 0.00077 -0.00137 0.00184 189 2S -0.00141 -0.00151 0.00146 -0.00228 0.00336 101 102 103 104 105 101 2PX 0.36897 102 2PY -0.00011 0.41335 103 2PZ 0.03332 0.00266 0.39023 104 3S -0.01951 -0.01122 -0.02947 0.25010 105 3PX 0.18140 -0.01273 -0.07523 -0.00529 0.11999 106 3PY -0.01321 0.13842 0.02579 -0.00772 -0.02131 107 3PZ -0.05969 0.00573 0.16793 -0.01273 -0.06578 108 4XX 0.00801 0.00593 -0.00344 -0.00562 0.00526 109 4YY -0.00428 -0.01307 -0.00040 -0.00311 -0.00157 110 4ZZ -0.00689 0.01026 -0.00256 -0.00246 -0.00263 111 4XY 0.00498 0.00024 0.01075 -0.00261 -0.00016 112 4XZ -0.00068 0.00920 -0.00218 0.00814 -0.00040 113 4YZ 0.00949 -0.00196 0.01031 -0.00706 0.00159 114 12 C 1S -0.05992 -0.03620 -0.04301 0.01167 -0.00739 115 2S 0.12167 0.07533 0.08348 0.01681 0.03363 116 2PX 0.00705 -0.13524 -0.24261 -0.04583 0.07525 117 2PY -0.13784 -0.05069 -0.06401 -0.10480 -0.06145 118 2PZ -0.21177 -0.08010 -0.01514 -0.05017 -0.09000 119 3S 0.13112 0.04998 0.09079 -0.02632 0.02878 120 3PX 0.04973 -0.06231 -0.12909 0.00784 0.06572 121 3PY -0.05356 -0.00538 -0.02375 -0.01880 -0.01760 122 3PZ -0.09572 -0.03266 0.02876 -0.00661 -0.05088 123 4XX -0.01089 0.00515 0.00700 0.00431 -0.00751 124 4YY -0.00154 -0.01234 -0.00144 -0.00597 -0.00072 125 4ZZ 0.00180 0.00099 -0.01328 0.00227 0.00471 126 4XY 0.00346 -0.00260 0.00806 0.00401 -0.00042 127 4XZ 0.00321 0.00661 0.00046 0.00598 0.00115 128 4YZ 0.00806 -0.00167 0.00180 0.00437 0.00323 129 13 C 1S 0.00514 0.00155 0.01145 0.00523 0.00086 130 2S -0.01443 -0.00591 -0.02805 -0.00899 0.00033 131 2PX -0.00068 0.01087 0.03290 0.02771 -0.00835 132 2PY -0.00229 0.00421 -0.00689 0.00917 0.00779 133 2PZ 0.04903 0.00702 0.02307 0.00220 0.01028 134 3S 0.00175 0.01090 -0.07810 0.01674 0.02532 135 3PX -0.00129 0.00744 0.01496 0.00631 -0.00640 136 3PY -0.00735 0.00451 -0.02097 -0.01091 0.00284 137 3PZ 0.04076 -0.00838 0.02259 -0.00610 0.00785 138 4XX -0.00086 0.00219 0.00526 0.00156 -0.00185 139 4YY -0.00310 -0.00171 -0.00200 -0.00276 -0.00146 140 4ZZ 0.00630 0.00095 -0.00133 0.00089 0.00367 141 4XY 0.00134 -0.00013 -0.00012 0.00124 0.00085 142 4XZ -0.00156 0.00304 0.00928 0.00203 -0.00284 143 4YZ 0.00384 0.00173 0.00056 -0.00073 0.00128 144 14 C 1S 0.00128 -0.00375 0.00577 0.01091 0.00010 145 2S 0.00214 0.00681 -0.01508 -0.02105 0.00217 146 2PX -0.00674 -0.00763 0.00881 0.01314 -0.00580 147 2PY -0.02849 -0.01160 -0.00380 -0.01907 -0.01994 148 2PZ -0.01133 -0.02367 0.02037 0.07871 0.00221 149 3S -0.02357 0.03019 -0.00944 -0.06109 -0.01894 150 3PX -0.00051 -0.00183 0.00167 0.00822 -0.00075 151 3PY -0.02761 -0.00890 0.00192 -0.01691 -0.01748 152 3PZ -0.00616 -0.02432 0.00454 0.04098 0.00210 153 4XX -0.00037 0.00022 0.00077 0.00343 0.00067 154 4YY 0.00060 -0.00192 -0.00177 0.00111 0.00062 155 4ZZ 0.00010 0.00197 0.00059 -0.00283 -0.00075 156 4XY 0.00023 0.00100 0.00059 0.00078 0.00013 157 4XZ 0.00102 0.00088 -0.00064 -0.00001 0.00164 158 4YZ 0.00128 0.00015 0.00008 -0.00127 -0.00001 159 15 C 1S 0.00083 -0.01224 0.00586 -0.00303 -0.00672 160 2S -0.00174 0.03290 -0.01501 -0.01977 0.00622 161 2PX -0.00638 -0.03169 0.02711 -0.05037 -0.04990 162 2PY -0.00246 0.03375 -0.00710 -0.09131 -0.00083 163 2PZ 0.02038 -0.01505 -0.00551 -0.01050 0.00962 164 3S -0.03771 0.02417 -0.04544 -0.00893 -0.00720 165 3PX -0.00491 -0.01850 0.03621 -0.03723 -0.03354 166 3PY -0.00154 -0.00563 -0.01117 -0.02368 0.00135 167 3PZ 0.03958 -0.02546 -0.01415 0.01303 0.03090 168 4XX -0.00654 0.00245 0.00489 -0.00039 -0.00408 169 4YY 0.00163 -0.00978 0.00043 0.00673 0.00057 170 4ZZ 0.00388 0.00242 -0.00350 -0.00419 0.00209 171 4XY 0.00106 0.00569 -0.00147 -0.00341 -0.00024 172 4XZ 0.00247 0.00138 -0.00179 -0.00159 0.00231 173 4YZ -0.00232 0.00452 0.00111 -0.00237 -0.00190 174 16 H 1S 0.01876 0.04294 0.01319 -0.06039 -0.00249 175 2S 0.03389 0.08633 0.03938 -0.06761 -0.00572 176 17 H 1S -0.13264 0.13079 -0.18747 0.11509 -0.03241 177 2S -0.12150 0.11788 -0.18085 0.05423 -0.01788 178 18 H 1S -0.02455 -0.03575 -0.01201 -0.06200 -0.01712 179 2S -0.04781 -0.07141 -0.01046 -0.05922 -0.02896 180 19 H 1S 0.00234 0.01532 0.03244 0.01770 -0.00667 181 2S -0.00204 0.02105 0.07097 0.02303 -0.01667 182 20 H 1S 0.00194 -0.00229 -0.00061 0.01950 0.00705 183 2S 0.00535 -0.00699 -0.00763 0.02803 0.01618 184 21 H 1S 0.00145 -0.03521 0.00130 0.05609 0.00088 185 2S 0.01054 -0.06878 0.00305 0.06422 0.00664 186 22 H 1S 0.02933 -0.00309 -0.02866 -0.01230 0.01935 187 2S 0.02929 0.00013 -0.02536 -0.01121 0.01788 188 23 H 1S -0.00285 0.00018 0.00657 0.02056 0.00050 189 2S -0.01502 0.00379 0.01956 0.01847 -0.01192 106 107 108 109 110 106 3PY 0.06237 107 3PZ 0.01396 0.09330 108 4XX -0.00006 -0.00248 0.00092 109 4YY -0.00297 0.00079 -0.00023 0.00114 110 4ZZ 0.00301 0.00047 0.00022 -0.00019 0.00089 111 4XY -0.00037 0.00330 0.00019 0.00000 -0.00032 112 4XZ 0.00261 -0.00111 -0.00007 -0.00048 0.00026 113 4YZ 0.00072 0.00212 -0.00003 0.00014 -0.00011 114 12 C 1S -0.00604 0.00475 -0.00161 0.00118 -0.00024 115 2S 0.00949 0.00613 0.00278 -0.00344 0.00008 116 2PX -0.09235 -0.09989 0.00836 0.00220 -0.00219 117 2PY 0.00969 -0.00561 -0.00424 0.01331 -0.00190 118 2PZ -0.03204 0.03878 -0.00521 0.00246 0.01017 119 3S 0.00108 0.00197 0.00396 -0.00287 -0.00161 120 3PX -0.05178 -0.06094 0.00568 -0.00025 -0.00269 121 3PY 0.00218 0.00262 -0.00159 0.00408 0.00056 122 3PZ 0.00023 0.03337 -0.00484 0.00198 0.00448 123 4XX 0.00330 0.00592 -0.00025 -0.00020 0.00012 124 4YY -0.00312 -0.00082 -0.00024 0.00096 -0.00047 125 4ZZ -0.00133 -0.00632 0.00025 -0.00037 0.00030 126 4XY 0.00006 0.00233 -0.00028 0.00009 -0.00028 127 4XZ 0.00283 -0.00064 -0.00010 -0.00031 0.00010 128 4YZ 0.00034 -0.00096 -0.00001 -0.00002 -0.00044 129 13 C 1S 0.00403 0.00806 -0.00046 0.00081 -0.00156 130 2S -0.00849 -0.01522 0.00036 -0.00158 0.00302 131 2PX 0.02935 0.02850 -0.00027 0.00138 -0.00377 132 2PY 0.00646 -0.00236 0.00009 -0.00124 0.00210 133 2PZ 0.03196 -0.00730 -0.00133 0.00397 -0.00733 134 3S -0.02144 -0.03851 0.00276 -0.00435 0.00350 135 3PX 0.01540 0.01190 -0.00006 0.00070 -0.00170 136 3PY 0.00708 -0.00932 -0.00007 0.00008 0.00119 137 3PZ 0.01123 -0.00484 -0.00042 0.00203 -0.00434 138 4XX 0.00296 0.00260 -0.00019 0.00007 -0.00013 139 4YY 0.00003 -0.00033 -0.00015 0.00035 -0.00004 140 4ZZ -0.00188 -0.00192 0.00036 -0.00033 0.00002 141 4XY 0.00104 0.00037 0.00004 -0.00002 -0.00015 142 4XZ 0.00235 0.00494 -0.00027 -0.00010 0.00019 143 4YZ 0.00183 -0.00127 0.00005 -0.00011 -0.00019 144 14 C 1S -0.00349 0.00343 0.00000 -0.00020 -0.00037 145 2S 0.00598 -0.00989 0.00002 0.00036 0.00057 146 2PX -0.01727 0.00099 0.00032 0.00065 -0.00085 147 2PY -0.00707 0.00331 -0.00082 0.00190 -0.00047 148 2PZ -0.02449 0.03397 -0.00066 0.00059 -0.00074 149 3S 0.02946 -0.00434 -0.00151 0.00205 0.00193 150 3PX -0.00912 -0.00001 0.00052 -0.00004 -0.00043 151 3PY -0.00054 0.00540 -0.00108 0.00223 -0.00055 152 3PZ -0.01699 0.01557 -0.00033 0.00057 -0.00069 153 4XX -0.00109 0.00115 0.00006 0.00000 -0.00005 154 4YY -0.00183 -0.00139 0.00004 -0.00008 0.00000 155 4ZZ 0.00254 0.00033 -0.00006 0.00004 0.00005 156 4XY 0.00123 0.00081 0.00002 -0.00002 -0.00008 157 4XZ -0.00060 -0.00082 0.00009 0.00005 -0.00005 158 4YZ 0.00086 -0.00131 -0.00003 0.00008 -0.00019 159 15 C 1S -0.00509 -0.00511 0.00018 -0.00096 -0.00025 160 2S 0.01885 -0.00130 -0.00040 0.00214 0.00080 161 2PX 0.02126 -0.00967 -0.00314 -0.00147 0.00075 162 2PY 0.05080 0.00108 -0.00096 0.00422 0.00076 163 2PZ -0.00765 -0.02947 0.00187 -0.00324 -0.00147 164 3S 0.01227 -0.00386 0.00001 0.00135 0.00112 165 3PX 0.01961 0.00655 -0.00305 0.00079 0.00046 166 3PY 0.00591 -0.00062 0.00037 0.00088 -0.00001 167 3PZ -0.01856 -0.02248 0.00163 -0.00087 -0.00208 168 4XX 0.00039 0.00387 0.00008 0.00005 -0.00004 169 4YY -0.00498 -0.00061 -0.00015 -0.00003 -0.00027 170 4ZZ 0.00247 -0.00267 0.00001 -0.00001 0.00015 171 4XY 0.00201 -0.00151 0.00021 -0.00031 0.00018 172 4XZ 0.00038 -0.00107 0.00001 0.00021 0.00003 173 4YZ 0.00139 0.00022 0.00008 -0.00023 0.00018 174 16 H 1S 0.01989 -0.00279 0.00081 0.00186 0.00080 175 2S 0.03824 0.00226 0.00160 -0.00151 0.00192 176 17 H 1S 0.03912 -0.05971 -0.00192 -0.00407 0.00550 177 2S 0.02559 -0.05144 0.00069 -0.00362 0.00647 178 18 H 1S -0.00229 -0.00667 -0.00145 0.00806 -0.00273 179 2S -0.00593 -0.00120 -0.00308 0.00889 -0.00329 180 19 H 1S 0.02873 0.01867 -0.00089 0.00033 -0.00156 181 2S 0.03781 0.03879 -0.00252 0.00077 -0.00124 182 20 H 1S -0.01408 0.00038 0.00055 0.00013 -0.00008 183 2S -0.02155 -0.00399 0.00080 0.00006 -0.00013 184 21 H 1S -0.03258 -0.00069 -0.00029 -0.00127 -0.00082 185 2S -0.04800 -0.00210 -0.00007 -0.00118 -0.00192 186 22 H 1S -0.00436 -0.03019 0.00081 -0.00014 -0.00072 187 2S -0.00456 -0.02564 0.00164 -0.00013 -0.00169 188 23 H 1S 0.00488 0.01533 -0.00054 -0.00031 0.00069 189 2S 0.00768 0.02316 -0.00055 -0.00064 0.00071 111 112 113 114 115 111 4XY 0.00095 112 4XZ -0.00017 0.00067 113 4YZ 0.00042 -0.00028 0.00117 114 12 C 1S -0.00373 -0.00330 -0.00332 2.05499 115 2S 0.00671 0.00637 0.00625 -0.06133 0.32633 116 2PX -0.00236 -0.00296 -0.00857 0.00315 -0.00484 117 2PY 0.00163 -0.00724 0.00162 -0.00192 -0.00376 118 2PZ -0.00838 0.00074 -0.00096 0.00214 0.00093 119 3S 0.00854 0.00402 0.00762 -0.19781 0.29070 120 3PX 0.00000 -0.00055 -0.00548 -0.00758 0.01604 121 3PY 0.00027 -0.00162 0.00013 0.00758 0.00820 122 3PZ -0.00454 0.00042 0.00162 0.00298 -0.00462 123 4XX -0.00005 0.00004 -0.00034 -0.01132 -0.01296 124 4YY 0.00024 -0.00056 0.00029 -0.01838 0.00158 125 4ZZ -0.00056 0.00018 -0.00043 -0.01398 -0.00730 126 4XY 0.00027 0.00003 0.00026 -0.00162 0.00345 127 4XZ -0.00010 0.00045 0.00003 -0.00249 0.00560 128 4YZ 0.00010 -0.00005 0.00013 0.00081 -0.00153 129 13 C 1S 0.00079 -0.00073 0.00027 0.01252 -0.02297 130 2S -0.00173 0.00157 -0.00069 -0.02336 0.03914 131 2PX 0.00102 -0.00129 0.00015 0.01708 -0.03372 132 2PY -0.00250 0.00116 0.00024 -0.02350 0.04868 133 2PZ 0.00402 -0.00607 0.00075 0.06431 -0.13740 134 3S -0.00172 0.00278 -0.00357 0.00258 0.02396 135 3PX 0.00039 -0.00059 0.00017 0.00270 -0.01328 136 3PY -0.00209 0.00026 -0.00024 -0.00571 0.01148 137 3PZ 0.00270 -0.00305 0.00127 0.01309 -0.04402 138 4XX 0.00006 -0.00013 0.00012 0.00197 -0.00450 139 4YY 0.00000 -0.00017 0.00008 0.00081 -0.00222 140 4ZZ 0.00010 0.00024 -0.00004 -0.00456 0.00848 141 4XY 0.00001 -0.00004 -0.00002 0.00115 -0.00204 142 4XZ -0.00001 0.00024 0.00032 -0.00264 0.00524 143 4YZ 0.00008 -0.00013 -0.00005 0.00410 -0.00767 144 14 C 1S -0.00004 0.00009 -0.00021 -0.00202 0.00420 145 2S 0.00040 -0.00017 0.00066 0.00459 -0.00918 146 2PX 0.00037 -0.00006 -0.00122 -0.00180 0.00337 147 2PY 0.00034 -0.00073 -0.00083 0.01024 -0.02612 148 2PZ -0.00159 0.00000 -0.00019 -0.00336 0.01374 149 3S -0.00050 -0.00078 0.00335 -0.00082 -0.01381 150 3PX 0.00021 0.00014 -0.00073 0.00044 0.00408 151 3PY 0.00015 -0.00102 -0.00066 0.00685 -0.01928 152 3PZ -0.00145 -0.00003 -0.00060 0.00016 0.00716 153 4XX 0.00006 0.00003 -0.00020 -0.00043 0.00105 154 4YY 0.00012 0.00001 0.00000 -0.00057 0.00088 155 4ZZ -0.00026 -0.00002 0.00013 0.00018 -0.00091 156 4XY 0.00008 -0.00002 0.00000 0.00034 -0.00060 157 4XZ 0.00014 0.00004 -0.00038 -0.00007 0.00012 158 4YZ 0.00027 -0.00018 0.00006 0.00151 -0.00341 159 15 C 1S 0.00180 -0.00008 0.00116 -0.00468 0.00678 160 2S -0.00376 0.00016 -0.00224 0.00678 -0.01943 161 2PX -0.00179 -0.00173 0.01077 0.00444 -0.01494 162 2PY -0.00591 -0.00001 -0.00219 0.01024 -0.02846 163 2PZ 0.00819 -0.00049 -0.00079 -0.00218 0.00306 164 3S -0.00563 0.00036 -0.00433 0.02825 -0.03182 165 3PX -0.00236 -0.00133 0.00703 0.00346 -0.01217 166 3PY -0.00276 0.00020 -0.00146 0.01062 -0.00751 167 3PZ 0.00456 -0.00042 -0.00175 -0.00234 0.00645 168 4XX 0.00039 -0.00001 -0.00032 -0.00045 -0.00045 169 4YY 0.00013 -0.00009 0.00012 -0.00084 0.00068 170 4ZZ -0.00015 -0.00001 0.00047 -0.00046 0.00014 171 4XY 0.00009 0.00005 0.00023 -0.00044 0.00070 172 4XZ -0.00008 0.00004 -0.00001 0.00005 0.00038 173 4YZ 0.00029 0.00004 0.00003 0.00001 -0.00004 174 16 H 1S 0.00512 -0.00002 0.00716 -0.00753 0.01707 175 2S 0.00529 0.00049 0.00782 -0.01234 0.02410 176 17 H 1S -0.00785 0.00827 -0.01087 0.01338 -0.02791 177 2S -0.00774 0.00608 -0.01062 0.01887 -0.03229 178 18 H 1S 0.00411 -0.00313 0.00349 -0.05969 0.11295 179 2S 0.00215 -0.00474 0.00263 -0.01311 0.02597 180 19 H 1S 0.00015 -0.00073 0.00083 0.00809 -0.01963 181 2S 0.00046 -0.00081 0.00265 0.01421 -0.02688 182 20 H 1S 0.00000 0.00035 -0.00131 -0.00421 0.01108 183 2S 0.00028 0.00060 -0.00304 -0.00628 0.01442 184 21 H 1S 0.00167 -0.00027 0.00090 -0.00252 0.00795 185 2S 0.00249 -0.00048 0.00055 -0.00361 0.01394 186 22 H 1S 0.00062 -0.00133 -0.00077 0.00810 -0.02346 187 2S 0.00141 -0.00151 -0.00146 0.01255 -0.02988 188 23 H 1S -0.00159 0.00023 0.00150 -0.00194 0.00810 189 2S -0.00181 0.00036 0.00143 -0.00257 0.00829 116 117 118 119 120 116 2PX 0.35439 117 2PY 0.02302 0.41151 118 2PZ 0.04001 -0.00391 0.38399 119 3S 0.01225 0.00351 -0.02807 0.30063 120 3PX 0.19637 -0.01983 -0.03217 0.02129 0.12487 121 3PY 0.00467 0.13002 0.01758 -0.00563 -0.00624 122 3PZ -0.04853 0.01429 0.17020 -0.02581 -0.05271 123 4XX -0.00889 -0.00494 -0.00137 -0.01129 -0.00518 124 4YY 0.00429 0.02195 -0.00252 0.00386 0.00114 125 4ZZ 0.00781 -0.01079 0.00470 -0.00678 0.00449 126 4XY -0.00761 0.00005 -0.00415 0.00321 -0.00319 127 4XZ -0.00453 -0.00528 -0.00116 0.00351 -0.00169 128 4YZ -0.00335 -0.00229 -0.01081 -0.00060 -0.00006 129 13 C 1S -0.02143 0.02956 -0.05184 -0.00158 -0.00447 130 2S 0.04299 -0.05548 0.10796 0.01520 0.01064 131 2PX 0.00051 0.02748 -0.08299 -0.03856 0.00011 132 2PY 0.02058 -0.03157 0.11041 0.03620 0.00744 133 2PZ -0.10107 0.12209 -0.23452 -0.11064 -0.03884 134 3S 0.09358 -0.11182 0.08683 0.00025 0.04851 135 3PX -0.00002 0.01603 -0.03734 -0.01153 -0.00164 136 3PY 0.01359 0.00260 0.05339 0.00988 0.00133 137 3PZ -0.04350 0.05775 -0.11715 -0.02319 -0.01622 138 4XX -0.00736 0.00167 -0.00375 -0.00464 -0.00411 139 4YY -0.00072 0.00983 -0.00224 -0.00177 -0.00125 140 4ZZ 0.00573 -0.00739 0.00103 0.00861 0.00455 141 4XY 0.00143 -0.00103 -0.00361 -0.00248 0.00119 142 4XZ -0.00785 -0.00344 0.00571 0.00331 -0.00505 143 4YZ -0.00393 -0.00341 -0.00869 -0.00613 -0.00155 144 14 C 1S 0.00310 -0.00914 0.00489 0.00385 0.00368 145 2S -0.00432 0.01813 -0.01663 -0.00945 -0.00480 146 2PX 0.00565 -0.00361 0.00159 0.01290 -0.00201 147 2PY -0.00236 0.03529 -0.03068 -0.02808 -0.00942 148 2PZ 0.00368 -0.00754 0.02387 -0.00623 0.01452 149 3S -0.04768 0.07650 0.00219 -0.01019 -0.04237 150 3PX 0.00896 -0.00860 -0.00185 0.00770 0.00407 151 3PY -0.00922 0.05188 -0.01857 -0.01837 -0.01155 152 3PZ 0.01325 -0.00332 0.01589 -0.00340 0.01370 153 4XX 0.00160 -0.00085 -0.00003 0.00059 0.00185 154 4YY 0.00257 -0.00192 0.00053 0.00051 0.00138 155 4ZZ -0.00295 0.00150 0.00092 -0.00049 -0.00227 156 4XY 0.00054 0.00070 -0.00295 -0.00113 0.00075 157 4XZ 0.00227 -0.00068 -0.00232 -0.00028 0.00192 158 4YZ -0.00257 0.00454 -0.00723 -0.00211 -0.00124 159 15 C 1S 0.00443 -0.01024 -0.00218 0.02825 0.00346 160 2S -0.01493 0.02846 0.00306 -0.03182 -0.01217 161 2PX -0.09410 0.02688 0.03865 0.02300 -0.08553 162 2PY -0.02686 0.03618 0.01453 -0.03183 -0.02905 163 2PZ 0.03865 -0.01452 -0.06998 0.02405 0.03407 164 3S 0.02299 0.03182 0.02406 -0.04410 0.00580 165 3PX -0.08552 0.02906 0.03407 0.00581 -0.07056 166 3PY 0.01954 -0.01165 0.01762 -0.00615 0.00673 167 3PZ 0.04464 -0.01710 -0.05610 0.01062 0.04023 168 4XX 0.00092 0.00052 -0.00105 0.00048 0.00074 169 4YY 0.00196 -0.00122 -0.00053 0.00050 0.00168 170 4ZZ -0.00232 0.00074 0.00066 0.00055 -0.00204 171 4XY -0.00076 -0.00097 -0.00146 0.00203 -0.00098 172 4XZ 0.00001 -0.00024 0.00002 -0.00018 -0.00004 173 4YZ -0.00161 0.00042 -0.00128 0.00050 -0.00116 174 16 H 1S -0.03031 -0.01510 -0.01497 0.04153 -0.02563 175 2S -0.06563 -0.03044 -0.02984 0.04889 -0.04372 176 17 H 1S 0.03271 0.00421 0.03215 -0.05771 0.01770 177 2S 0.07741 -0.00143 0.06794 -0.05898 0.03769 178 18 H 1S 0.02942 0.26416 -0.02262 0.11235 0.00498 179 2S 0.00928 0.24494 -0.02196 0.03320 -0.01110 180 19 H 1S -0.02500 0.00184 -0.02345 -0.03206 -0.01668 181 2S -0.08199 0.01218 -0.02899 -0.04475 -0.04620 182 20 H 1S 0.01223 -0.01109 0.01091 0.01101 0.00908 183 2S 0.02776 -0.02015 0.01333 0.01060 0.02205 184 21 H 1S 0.01088 -0.00924 -0.00291 0.00543 0.01174 185 2S 0.03432 -0.02541 -0.00578 0.01443 0.02815 186 22 H 1S -0.00301 0.00515 -0.02613 -0.01620 0.00408 187 2S 0.00776 0.01033 -0.05902 -0.01438 0.01446 188 23 H 1S -0.00892 -0.00400 0.02445 -0.00359 -0.00075 189 2S -0.01196 -0.01248 0.03388 0.00099 -0.00617 121 122 123 124 125 121 3PY 0.05321 122 3PZ 0.01514 0.09659 123 4XX -0.00167 0.00075 0.00149 124 4YY 0.00652 -0.00038 -0.00052 0.00186 125 4ZZ -0.00330 -0.00006 0.00007 -0.00073 0.00145 126 4XY -0.00011 -0.00028 0.00000 0.00013 -0.00035 127 4XZ -0.00145 0.00063 -0.00001 -0.00039 0.00006 128 4YZ -0.00162 -0.00357 0.00014 -0.00011 -0.00004 129 13 C 1S 0.00708 -0.00574 0.00165 0.00168 -0.00512 130 2S -0.01664 0.02430 -0.00383 -0.00345 0.00885 131 2PX 0.00297 -0.01549 0.00730 0.00095 -0.00570 132 2PY -0.01298 0.05084 -0.00065 -0.00950 0.00773 133 2PZ 0.01884 -0.09077 0.00545 0.00364 0.00068 134 3S -0.02853 -0.00063 -0.00365 -0.00684 0.01172 135 3PX -0.00036 -0.00754 0.00317 0.00064 -0.00266 136 3PY -0.00475 0.02377 -0.00081 -0.00362 0.00391 137 3PZ 0.00275 -0.04787 0.00129 0.00256 -0.00033 138 4XX -0.00008 0.00009 0.00055 -0.00029 0.00004 139 4YY 0.00342 -0.00014 -0.00011 0.00085 -0.00055 140 4ZZ -0.00229 -0.00148 -0.00043 -0.00039 0.00029 141 4XY -0.00060 -0.00105 0.00026 -0.00005 -0.00009 142 4XZ -0.00034 0.00512 0.00024 -0.00016 -0.00052 143 4YZ -0.00276 -0.00415 0.00030 -0.00031 0.00033 144 14 C 1S -0.00396 0.00182 0.00030 -0.00148 0.00048 145 2S 0.00899 -0.00699 -0.00104 0.00319 -0.00116 146 2PX -0.00014 -0.00416 0.00016 -0.00054 0.00019 147 2PY 0.01240 -0.02231 -0.00101 0.00818 -0.00393 148 2PZ 0.02513 0.02494 0.00235 -0.00101 0.00006 149 3S 0.02365 0.01384 -0.00084 0.00541 -0.00338 150 3PX -0.00201 -0.00494 0.00010 -0.00059 0.00022 151 3PY 0.01565 -0.00894 -0.00038 0.00566 -0.00313 152 3PZ 0.01143 0.01345 0.00079 0.00002 -0.00023 153 4XX 0.00079 -0.00002 0.00012 -0.00023 0.00006 154 4YY -0.00036 -0.00117 -0.00021 0.00009 0.00022 155 4ZZ -0.00067 0.00161 0.00010 -0.00009 -0.00005 156 4XY 0.00018 -0.00084 0.00020 0.00003 -0.00017 157 4XZ -0.00021 -0.00237 -0.00014 -0.00003 0.00008 158 4YZ 0.00039 -0.00342 0.00004 0.00020 -0.00002 159 15 C 1S -0.01062 -0.00234 -0.00045 -0.00084 -0.00046 160 2S 0.00751 0.00645 -0.00045 0.00068 0.00014 161 2PX -0.01955 0.04464 0.00092 0.00196 -0.00232 162 2PY -0.01164 0.01710 -0.00052 0.00122 -0.00074 163 2PZ -0.01761 -0.05610 -0.00105 -0.00053 0.00066 164 3S 0.00615 0.01062 0.00048 0.00050 0.00054 165 3PX -0.00673 0.04022 0.00074 0.00168 -0.00204 166 3PY -0.01300 0.00672 -0.00022 -0.00039 0.00018 167 3PZ -0.00671 -0.04212 -0.00188 -0.00021 0.00145 168 4XX 0.00022 -0.00188 0.00045 -0.00016 -0.00017 169 4YY 0.00039 -0.00021 -0.00016 0.00037 -0.00008 170 4ZZ -0.00018 0.00145 -0.00017 -0.00008 0.00018 171 4XY -0.00099 -0.00105 0.00001 -0.00015 0.00005 172 4XZ 0.00026 -0.00010 -0.00019 -0.00005 0.00012 173 4YZ 0.00007 -0.00136 0.00007 0.00004 -0.00014 174 16 H 1S -0.00659 -0.01358 0.00034 -0.00257 0.00002 175 2S -0.01573 -0.01523 0.00109 -0.00387 -0.00050 176 17 H 1S 0.01040 0.00730 0.00307 -0.00534 0.00632 177 2S 0.01145 0.01283 0.00157 -0.00515 0.00695 178 18 H 1S 0.08410 -0.00405 -0.00852 0.01671 -0.00993 179 2S 0.07232 0.00217 -0.00501 0.01588 -0.00874 180 19 H 1S -0.00582 0.00220 0.00458 -0.00287 0.00116 181 2S 0.00375 0.01692 0.00610 -0.00199 -0.00220 182 20 H 1S 0.00455 0.00278 -0.00024 -0.00155 0.00123 183 2S 0.00342 -0.00199 -0.00114 -0.00210 0.00239 184 21 H 1S 0.00990 -0.00326 -0.00021 0.00086 -0.00008 185 2S 0.00401 -0.00904 -0.00090 0.00150 -0.00030 186 22 H 1S -0.00731 -0.02954 -0.00244 -0.00242 0.00811 187 2S -0.00676 -0.04306 -0.00103 -0.00166 0.00534 188 23 H 1S 0.00943 0.02498 0.00137 -0.00100 -0.00013 189 2S 0.00177 0.02867 0.00250 -0.00204 -0.00038 126 127 128 129 130 126 4XY 0.00042 127 4XZ 0.00009 0.00069 128 4YZ 0.00027 0.00008 0.00065 129 13 C 1S 0.00133 -0.00200 0.00340 2.05092 130 2S -0.00249 0.00367 -0.00664 -0.05341 0.30682 131 2PX -0.00081 0.00911 0.00319 -0.00089 0.00094 132 2PY 0.00065 0.00272 0.00438 -0.00199 0.00122 133 2PZ 0.00406 -0.00358 0.00854 -0.00339 0.00249 134 3S -0.00382 0.00373 -0.00655 -0.18586 0.27976 135 3PX -0.00044 0.00421 0.00139 -0.00226 0.00385 136 3PY -0.00012 0.00107 0.00182 0.00044 0.00253 137 3PZ 0.00239 -0.00117 0.00426 -0.00163 0.00937 138 4XX 0.00017 0.00026 0.00039 -0.01787 0.00019 139 4YY -0.00004 -0.00019 -0.00020 -0.01551 -0.00514 140 4ZZ 0.00001 -0.00011 0.00009 -0.01630 -0.00351 141 4XY -0.00006 0.00038 0.00013 -0.00055 0.00106 142 4XZ 0.00012 0.00062 -0.00011 0.00050 -0.00110 143 4YZ 0.00008 -0.00002 0.00031 -0.00140 0.00268 144 14 C 1S 0.00034 0.00008 0.00110 0.01015 -0.01941 145 2S -0.00074 -0.00025 -0.00198 -0.01941 0.03034 146 2PX -0.00001 -0.00082 0.00032 0.00027 -0.00113 147 2PY -0.00173 -0.00099 -0.00724 -0.06234 0.12842 148 2PZ 0.00056 -0.00056 0.00107 0.00367 -0.00766 149 3S -0.00077 -0.00033 -0.00250 0.00627 0.00956 150 3PX -0.00018 -0.00058 0.00018 0.00051 -0.00149 151 3PY -0.00045 -0.00110 -0.00317 -0.01397 0.04158 152 3PZ 0.00014 -0.00060 0.00055 0.00321 -0.00962 153 4XX 0.00006 -0.00005 0.00021 0.00206 -0.00506 154 4YY -0.00008 0.00008 -0.00034 -0.00682 0.01180 155 4ZZ 0.00001 0.00003 0.00021 0.00208 -0.00477 156 4XY -0.00002 0.00028 0.00007 0.00001 -0.00002 157 4XZ 0.00002 0.00001 -0.00004 -0.00011 0.00018 158 4YZ 0.00012 -0.00009 0.00018 -0.00032 0.00030 159 15 C 1S 0.00044 0.00005 -0.00001 -0.00202 0.00459 160 2S -0.00070 0.00038 0.00004 0.00420 -0.00918 161 2PX 0.00076 0.00001 0.00161 0.00310 -0.00431 162 2PY -0.00097 0.00024 0.00042 0.00914 -0.01813 163 2PZ 0.00146 0.00002 0.00128 0.00490 -0.01663 164 3S -0.00203 -0.00018 -0.00050 0.00385 -0.00945 165 3PX 0.00098 -0.00004 0.00116 0.00368 -0.00480 166 3PY -0.00099 -0.00026 0.00007 0.00396 -0.00899 167 3PZ 0.00105 -0.00009 0.00136 0.00182 -0.00699 168 4XX -0.00001 -0.00019 -0.00007 0.00030 -0.00104 169 4YY 0.00015 -0.00005 -0.00004 -0.00148 0.00319 170 4ZZ -0.00005 0.00012 0.00014 0.00048 -0.00116 171 4XY -0.00013 0.00004 -0.00005 -0.00034 0.00074 172 4XZ -0.00004 0.00005 0.00000 0.00008 -0.00026 173 4YZ -0.00005 0.00000 -0.00025 -0.00110 0.00199 174 16 H 1S -0.00085 0.00030 -0.00058 -0.00090 0.00147 175 2S -0.00037 0.00117 -0.00017 -0.00047 -0.00004 176 17 H 1S -0.00350 0.00387 -0.00211 -0.00710 0.01561 177 2S -0.00520 0.00176 -0.00393 -0.00909 0.02150 178 18 H 1S 0.00155 -0.00194 -0.00169 0.01166 -0.02374 179 2S 0.00135 -0.00309 -0.00104 0.01409 -0.02635 180 19 H 1S 0.00001 0.00707 0.00220 -0.05307 0.10305 181 2S 0.00147 0.00575 0.00328 -0.00470 0.02007 182 20 H 1S 0.00019 -0.00082 0.00098 0.00761 -0.01999 183 2S 0.00041 -0.00093 0.00075 0.00792 -0.01755 184 21 H 1S 0.00059 -0.00022 -0.00041 -0.00717 0.01458 185 2S 0.00078 -0.00062 -0.00057 -0.00907 0.01876 186 22 H 1S 0.00106 -0.00401 0.00144 -0.05287 0.10195 187 2S 0.00102 -0.00503 0.00280 -0.00700 0.02105 188 23 H 1S 0.00010 0.00069 0.00105 0.00840 -0.02009 189 2S -0.00006 0.00099 0.00117 0.01010 -0.02085 131 132 133 134 135 131 2PX 0.41187 132 2PY 0.00499 0.38124 133 2PZ -0.00313 0.00574 0.38896 134 3S -0.00647 -0.00793 -0.02478 0.30210 135 3PX 0.18595 0.00355 0.00070 -0.00137 0.08585 136 3PY -0.00076 0.17352 0.00966 -0.00729 0.00186 137 3PZ 0.00744 0.00608 0.17988 -0.00700 0.00654 138 4XX 0.01072 0.01029 0.01116 -0.00035 0.00492 139 4YY 0.00056 -0.01508 -0.00103 -0.00513 0.00020 140 4ZZ -0.01052 0.00819 -0.00580 -0.00015 -0.00477 141 4XY 0.01581 0.00030 -0.00039 0.00117 0.00724 142 4XZ 0.01495 0.00054 -0.01186 -0.00235 0.00665 143 4YZ 0.00004 0.00068 0.01284 0.00250 0.00017 144 14 C 1S 0.00026 0.06234 0.00369 0.00627 0.00051 145 2S -0.00112 -0.12841 -0.00769 0.00956 -0.00149 146 2PX -0.00074 -0.00196 0.00493 0.00446 -0.00514 147 2PY 0.00199 -0.31488 -0.00215 0.12580 0.00286 148 2PZ 0.00493 0.00208 0.00695 -0.00423 -0.00109 149 3S 0.00446 -0.12580 -0.00426 -0.03255 0.00253 150 3PX -0.00514 -0.00284 -0.00110 0.00252 -0.00533 151 3PY 0.00014 -0.14639 0.01477 0.03364 0.00181 152 3PZ -0.00073 -0.00209 -0.00676 -0.00815 -0.00275 153 4XX -0.00024 0.00708 0.00044 -0.00420 -0.00048 154 4YY -0.00037 -0.00827 0.00046 0.01297 -0.00018 155 4ZZ 0.00063 0.00813 0.00082 -0.00656 0.00073 156 4XY 0.01155 0.00033 -0.00029 0.00016 0.00535 157 4XZ -0.00063 0.00060 0.00059 0.00163 -0.00063 158 4YZ -0.00043 0.00007 0.01048 0.00039 -0.00012 159 15 C 1S -0.00180 -0.01024 -0.00336 -0.00082 0.00044 160 2S 0.00337 0.02611 0.01375 -0.01381 0.00408 161 2PX 0.00565 0.00236 0.00369 -0.04770 0.00897 162 2PY 0.00361 0.03528 0.00755 -0.07649 0.00859 163 2PZ 0.00160 0.03068 0.02388 0.00218 -0.00185 164 3S 0.01294 0.02809 -0.00622 -0.01020 0.00772 165 3PX -0.00201 0.00941 0.01452 -0.04237 0.00407 166 3PY 0.00016 0.01240 -0.02514 -0.02365 0.00201 167 3PZ -0.00415 0.02231 0.02493 0.01384 -0.00494 168 4XX 0.00016 0.00101 0.00235 -0.00084 0.00010 169 4YY -0.00054 -0.00818 -0.00101 0.00541 -0.00059 170 4ZZ 0.00018 0.00392 0.00006 -0.00338 0.00022 171 4XY 0.00001 -0.00174 -0.00056 0.00077 0.00018 172 4XZ -0.00082 0.00099 -0.00056 -0.00033 -0.00058 173 4YZ -0.00032 -0.00724 -0.00107 0.00250 -0.00018 174 16 H 1S 0.00009 -0.00103 -0.00298 0.00354 0.00130 175 2S 0.00382 -0.00098 0.00410 -0.00168 0.00383 176 17 H 1S -0.01137 0.01107 -0.03375 0.04176 -0.00462 177 2S -0.02681 0.01594 -0.06649 0.05147 -0.01220 178 18 H 1S 0.00668 -0.03133 0.03239 -0.06426 0.00613 179 2S 0.01507 -0.05917 0.06668 -0.06878 0.00961 180 19 H 1S 0.24406 0.09284 0.06751 0.08095 0.11187 181 2S 0.21324 0.07584 0.05576 -0.00680 0.09432 182 20 H 1S -0.02272 0.02938 -0.00277 -0.01940 -0.01473 183 2S -0.04408 0.05181 -0.00221 -0.00378 -0.02329 184 21 H 1S -0.00151 -0.03618 -0.00435 0.04598 -0.00396 185 2S -0.00485 -0.06045 -0.01995 0.05206 -0.00610 186 22 H 1S -0.18024 0.08043 0.17920 0.09108 -0.07907 187 2S -0.16493 0.06620 0.15935 0.01901 -0.07321 188 23 H 1S 0.01884 0.02735 -0.01614 -0.03336 0.00937 189 2S 0.03500 0.05263 -0.02229 -0.03230 0.01823 136 137 138 139 140 136 3PY 0.08588 137 3PZ 0.00766 0.09074 138 4XX 0.00456 0.00529 0.00113 139 4YY -0.00601 -0.00086 -0.00033 0.00121 140 4ZZ 0.00318 -0.00238 -0.00017 -0.00033 0.00105 141 4XY -0.00004 0.00023 0.00040 -0.00003 -0.00038 142 4XZ -0.00025 -0.00508 0.00023 0.00007 -0.00033 143 4YZ 0.00091 0.00612 0.00042 -0.00025 -0.00018 144 14 C 1S 0.01397 0.00321 0.00206 -0.00682 0.00208 145 2S -0.04158 -0.00963 -0.00506 0.01180 -0.00477 146 2PX -0.00013 -0.00074 -0.00023 -0.00037 0.00063 147 2PY -0.14639 0.00206 -0.00708 0.00827 -0.00813 148 2PZ -0.01480 -0.00677 0.00043 0.00046 0.00082 149 3S -0.03364 -0.00816 -0.00421 0.01297 -0.00656 150 3PX -0.00180 -0.00276 -0.00048 -0.00018 0.00073 151 3PY -0.06475 0.00906 -0.00296 0.00461 -0.00444 152 3PZ -0.00907 -0.00863 -0.00045 0.00072 0.00072 153 4XX 0.00296 -0.00045 0.00013 -0.00014 0.00028 154 4YY -0.00461 0.00072 -0.00014 -0.00006 -0.00018 155 4ZZ 0.00444 0.00072 0.00028 -0.00018 0.00010 156 4XY -0.00021 0.00024 0.00031 -0.00002 -0.00028 157 4XZ 0.00052 0.00015 -0.00004 -0.00013 0.00008 158 4YZ 0.00009 0.00526 0.00030 -0.00010 -0.00016 159 15 C 1S -0.00685 0.00016 -0.00043 -0.00057 0.00018 160 2S 0.01928 0.00716 0.00105 0.00088 -0.00091 161 2PX 0.00923 0.01327 0.00160 0.00257 -0.00295 162 2PY 0.05188 0.00333 0.00085 0.00192 -0.00150 163 2PZ 0.01857 0.01589 -0.00003 0.00052 0.00092 164 3S 0.01837 -0.00339 0.00059 0.00051 -0.00049 165 3PX 0.01155 0.01372 0.00185 0.00138 -0.00226 166 3PY 0.01565 -0.01143 -0.00079 0.00036 0.00067 167 3PZ 0.00894 0.01345 -0.00002 -0.00118 0.00161 168 4XX 0.00038 0.00078 0.00012 -0.00021 0.00010 169 4YY -0.00566 0.00002 -0.00023 0.00009 -0.00009 170 4ZZ 0.00313 -0.00023 0.00006 0.00022 -0.00005 171 4XY -0.00046 -0.00014 -0.00006 0.00008 -0.00001 172 4XZ 0.00110 -0.00060 -0.00005 0.00008 0.00003 173 4YZ -0.00318 -0.00055 -0.00021 0.00034 -0.00021 174 16 H 1S 0.00023 -0.00070 0.00044 -0.00008 0.00018 175 2S 0.00067 0.00421 0.00114 -0.00033 -0.00007 176 17 H 1S 0.01304 -0.02990 -0.00119 0.00007 -0.00017 177 2S 0.01571 -0.04621 -0.00276 -0.00017 0.00099 178 18 H 1S -0.00754 0.02545 -0.00156 0.00650 -0.00183 179 2S -0.01769 0.03802 -0.00043 0.00718 -0.00457 180 19 H 1S 0.04140 0.03914 0.01149 -0.00486 -0.00663 181 2S 0.02999 0.02565 0.01043 -0.00282 -0.00647 182 20 H 1S 0.01812 -0.00845 -0.00094 0.00174 0.00161 183 2S 0.02464 -0.00581 -0.00070 -0.00149 0.00325 184 21 H 1S -0.03698 -0.00020 -0.00081 -0.00011 -0.00001 185 2S -0.04915 -0.00659 -0.00228 0.00023 0.00044 186 22 H 1S 0.04178 0.08296 0.00243 -0.00576 0.00363 187 2S 0.03399 0.07122 0.00131 -0.00435 0.00446 188 23 H 1S 0.01272 -0.01224 0.00038 0.00276 -0.00025 189 2S 0.02122 -0.01141 0.00188 -0.00031 0.00040 141 142 143 144 145 141 4XY 0.00096 142 4XZ 0.00054 0.00130 143 4YZ 0.00004 -0.00042 0.00091 144 14 C 1S -0.00001 -0.00011 0.00032 2.05092 145 2S 0.00002 0.00018 -0.00030 -0.05341 0.30682 146 2PX -0.01155 -0.00064 0.00043 -0.00090 0.00094 147 2PY 0.00033 -0.00060 0.00008 0.00199 -0.00122 148 2PZ 0.00029 0.00059 -0.01048 -0.00339 0.00249 149 3S -0.00016 0.00163 -0.00038 -0.18587 0.27976 150 3PX -0.00535 -0.00063 0.00012 -0.00226 0.00385 151 3PY -0.00021 -0.00052 0.00009 -0.00044 -0.00253 152 3PZ -0.00024 0.00016 -0.00526 -0.00163 0.00937 153 4XX -0.00031 -0.00004 -0.00030 -0.01787 0.00019 154 4YY 0.00002 -0.00013 0.00010 -0.01551 -0.00514 155 4ZZ 0.00028 0.00008 0.00016 -0.01630 -0.00351 156 4XY 0.00089 0.00042 -0.00003 0.00056 -0.00106 157 4XZ -0.00042 -0.00011 0.00036 0.00050 -0.00110 158 4YZ -0.00003 -0.00036 0.00065 0.00140 -0.00269 159 15 C 1S -0.00034 -0.00007 -0.00151 0.01252 -0.02336 160 2S 0.00060 0.00013 0.00341 -0.02297 0.03914 161 2PX -0.00054 0.00227 0.00257 -0.02144 0.04301 162 2PY 0.00070 0.00068 0.00453 -0.02955 0.05546 163 2PZ 0.00295 -0.00232 0.00723 -0.05185 0.10797 164 3S 0.00114 -0.00027 0.00211 -0.00158 0.01520 165 3PX -0.00075 0.00192 0.00124 -0.00447 0.01064 166 3PY 0.00018 0.00021 0.00038 -0.00707 0.01663 167 3PZ 0.00084 -0.00237 0.00342 -0.00574 0.02430 168 4XX -0.00020 -0.00014 -0.00004 0.00165 -0.00383 169 4YY -0.00003 -0.00003 -0.00020 0.00169 -0.00346 170 4ZZ 0.00017 0.00008 0.00002 -0.00512 0.00885 171 4XY -0.00002 -0.00002 0.00012 -0.00133 0.00249 172 4XZ -0.00028 0.00001 0.00009 -0.00200 0.00368 173 4YZ 0.00007 0.00004 0.00018 -0.00340 0.00664 174 16 H 1S 0.00020 0.00062 0.00110 -0.00710 0.01561 175 2S 0.00069 0.00148 0.00253 -0.00909 0.02150 176 17 H 1S -0.00039 -0.00149 -0.00084 -0.00090 0.00147 177 2S -0.00092 -0.00196 -0.00199 -0.00047 -0.00005 178 18 H 1S -0.00121 -0.00093 -0.00478 -0.00717 0.01458 179 2S -0.00058 -0.00158 -0.00206 -0.00907 0.01876 180 19 H 1S 0.01023 0.00742 0.00360 0.00761 -0.01999 181 2S 0.00917 0.00856 0.00244 0.00792 -0.01756 182 20 H 1S -0.00762 -0.00092 -0.00178 -0.05306 0.10305 183 2S -0.00741 -0.00198 -0.00143 -0.00470 0.02007 184 21 H 1S -0.00030 -0.00020 -0.00198 0.01166 -0.02374 185 2S -0.00036 -0.00044 -0.00306 0.01409 -0.02636 186 22 H 1S -0.00695 -0.01312 0.00750 0.00840 -0.02009 187 2S -0.00698 -0.01252 0.00650 0.01010 -0.02085 188 23 H 1S 0.00567 0.00208 -0.00549 -0.05287 0.10196 189 2S 0.00580 0.00284 -0.00500 -0.00701 0.02105 146 147 148 149 150 146 2PX 0.41187 147 2PY -0.00499 0.38124 148 2PZ -0.00314 -0.00574 0.38896 149 3S -0.00647 0.00794 -0.02478 0.30211 150 3PX 0.18596 -0.00356 0.00071 -0.00136 0.08586 151 3PY 0.00075 0.17352 -0.00966 0.00729 -0.00186 152 3PZ 0.00745 -0.00608 0.17987 -0.00699 0.00655 153 4XX 0.01073 -0.01029 0.01114 -0.00035 0.00492 154 4YY 0.00056 0.01508 -0.00102 -0.00513 0.00019 155 4ZZ -0.01054 -0.00819 -0.00580 -0.00015 -0.00478 156 4XY -0.01582 0.00029 0.00039 -0.00117 -0.00724 157 4XZ 0.01493 -0.00053 -0.01187 -0.00236 0.00664 158 4YZ -0.00003 0.00069 -0.01284 -0.00250 -0.00016 159 15 C 1S 0.01710 0.02349 0.06432 0.00258 0.00271 160 2S -0.03376 -0.04865 -0.13740 0.02396 -0.01329 161 2PX 0.00047 -0.02057 -0.10112 0.09363 -0.00004 162 2PY -0.02750 -0.03152 -0.12203 0.11179 -0.01604 163 2PZ -0.08306 -0.11036 -0.23453 0.08684 -0.03738 164 3S -0.03859 -0.03619 -0.11063 0.00025 -0.01154 165 3PX 0.00010 -0.00743 -0.03885 0.04852 -0.00165 166 3PY -0.00297 -0.01297 -0.01882 0.02853 0.00036 167 3PZ -0.01552 -0.05083 -0.09077 -0.00064 -0.00756 168 4XX 0.00730 0.00064 0.00544 -0.00365 0.00317 169 4YY 0.00096 0.00950 0.00365 -0.00684 0.00064 170 4ZZ -0.00570 -0.00772 0.00068 0.01172 -0.00266 171 4XY 0.00081 0.00065 -0.00406 0.00382 0.00043 172 4XZ 0.00911 -0.00272 -0.00359 0.00373 0.00421 173 4YZ -0.00319 0.00439 -0.00853 0.00654 -0.00139 174 16 H 1S -0.01138 -0.01106 -0.03375 0.04177 -0.00463 175 2S -0.02683 -0.01591 -0.06649 0.05147 -0.01221 176 17 H 1S 0.00009 0.00103 -0.00298 0.00354 0.00130 177 2S 0.00382 0.00097 0.00410 -0.00168 0.00383 178 18 H 1S -0.00152 0.03618 -0.00434 0.04598 -0.00397 179 2S -0.00485 0.06045 -0.01993 0.05206 -0.00611 180 19 H 1S -0.02272 -0.02939 -0.00278 -0.01941 -0.01473 181 2S -0.04406 -0.05181 -0.00223 -0.00380 -0.02327 182 20 H 1S 0.24409 -0.09284 0.06741 0.08095 0.11189 183 2S 0.21326 -0.07583 0.05567 -0.00681 0.09433 184 21 H 1S 0.00669 0.03132 0.03240 -0.06427 0.00614 185 2S 0.01510 0.05915 0.06669 -0.06879 0.00962 186 22 H 1S 0.01885 -0.02734 -0.01614 -0.03335 0.00937 187 2S 0.03502 -0.05262 -0.02229 -0.03229 0.01823 188 23 H 1S -0.18017 -0.08049 0.17924 0.09108 -0.07904 189 2S -0.16487 -0.06625 0.15938 0.01901 -0.07318 151 152 153 154 155 151 3PY 0.08588 152 3PZ -0.00766 0.09073 153 4XX -0.00456 0.00528 0.00114 154 4YY 0.00601 -0.00086 -0.00033 0.00121 155 4ZZ -0.00318 -0.00238 -0.00017 -0.00033 0.00105 156 4XY -0.00004 -0.00023 -0.00040 0.00003 0.00038 157 4XZ 0.00025 -0.00508 0.00023 0.00007 -0.00033 158 4YZ 0.00092 -0.00612 -0.00042 0.00025 0.00018 159 15 C 1S 0.00571 0.01309 0.00197 0.00081 -0.00456 160 2S -0.01147 -0.04403 -0.00450 -0.00222 0.00848 161 2PX -0.01358 -0.04353 -0.00736 -0.00072 0.00574 162 2PY 0.00262 -0.05772 -0.00166 -0.00983 0.00738 163 2PZ -0.05337 -0.11716 -0.00375 -0.00225 0.00104 164 3S -0.00988 -0.02320 -0.00464 -0.00177 0.00861 165 3PX -0.00132 -0.01622 -0.00411 -0.00125 0.00456 166 3PY -0.00475 -0.00274 0.00008 -0.00342 0.00229 167 3PZ -0.02377 -0.04786 0.00010 -0.00015 -0.00148 168 4XX 0.00081 0.00129 0.00055 -0.00011 -0.00043 169 4YY 0.00362 0.00256 -0.00029 0.00085 -0.00039 170 4ZZ -0.00391 -0.00033 0.00004 -0.00055 0.00029 171 4XY -0.00012 -0.00239 -0.00017 0.00004 -0.00001 172 4XZ -0.00107 -0.00117 0.00027 -0.00019 -0.00011 173 4YZ 0.00183 -0.00426 -0.00039 0.00020 -0.00009 174 16 H 1S -0.01304 -0.02991 -0.00119 0.00007 -0.00017 175 2S -0.01569 -0.04622 -0.00276 -0.00017 0.00099 176 17 H 1S -0.00023 -0.00070 0.00044 -0.00008 0.00018 177 2S -0.00067 0.00421 0.00114 -0.00033 -0.00007 178 18 H 1S 0.03698 -0.00019 -0.00081 -0.00011 -0.00001 179 2S 0.04915 -0.00658 -0.00228 0.00023 0.00044 180 19 H 1S -0.01812 -0.00845 -0.00095 0.00174 0.00161 181 2S -0.02464 -0.00581 -0.00070 -0.00149 0.00325 182 20 H 1S -0.04140 0.03909 0.01150 -0.00486 -0.00664 183 2S -0.02999 0.02561 0.01044 -0.00282 -0.00648 184 21 H 1S 0.00753 0.02545 -0.00156 0.00650 -0.00183 185 2S 0.01769 0.03802 -0.00043 0.00718 -0.00457 186 22 H 1S -0.01271 -0.01225 0.00039 0.00275 -0.00025 187 2S -0.02122 -0.01142 0.00189 -0.00032 0.00040 188 23 H 1S -0.04181 0.08298 0.00242 -0.00576 0.00364 189 2S -0.03401 0.07123 0.00130 -0.00434 0.00446 156 157 158 159 160 156 4XY 0.00096 157 4XZ -0.00054 0.00130 158 4YZ 0.00004 0.00042 0.00091 159 15 C 1S -0.00115 -0.00264 -0.00410 2.05499 160 2S 0.00204 0.00525 0.00767 -0.06133 0.32633 161 2PX -0.00143 -0.00784 0.00393 0.00315 -0.00483 162 2PY -0.00103 0.00344 -0.00341 0.00191 0.00376 163 2PZ 0.00361 0.00572 0.00869 0.00214 0.00093 164 3S 0.00249 0.00331 0.00612 -0.19780 0.29069 165 3PX -0.00119 -0.00505 0.00155 -0.00758 0.01604 166 3PY -0.00060 0.00034 -0.00276 -0.00758 -0.00820 167 3PZ 0.00105 0.00512 0.00415 0.00297 -0.00462 168 4XX -0.00026 0.00024 -0.00030 -0.01132 -0.01296 169 4YY 0.00005 -0.00016 0.00031 -0.01838 0.00158 170 4ZZ 0.00009 -0.00052 -0.00033 -0.01398 -0.00730 171 4XY -0.00006 -0.00012 0.00008 0.00161 -0.00345 172 4XZ -0.00038 0.00062 0.00002 -0.00249 0.00560 173 4YZ 0.00013 0.00011 0.00031 -0.00081 0.00153 174 16 H 1S 0.00039 -0.00149 0.00084 0.01338 -0.02791 175 2S 0.00092 -0.00196 0.00199 0.01887 -0.03229 176 17 H 1S -0.00020 0.00062 -0.00110 -0.00753 0.01707 177 2S -0.00069 0.00148 -0.00253 -0.01234 0.02410 178 18 H 1S 0.00029 -0.00020 0.00198 -0.00252 0.00795 179 2S 0.00036 -0.00043 0.00306 -0.00361 0.01394 180 19 H 1S 0.00761 -0.00092 0.00178 -0.00421 0.01109 181 2S 0.00741 -0.00198 0.00143 -0.00628 0.01443 182 20 H 1S -0.01023 0.00741 -0.00360 0.00809 -0.01963 183 2S -0.00917 0.00855 -0.00244 0.01421 -0.02689 184 21 H 1S 0.00121 -0.00093 0.00479 -0.05969 0.11295 185 2S 0.00058 -0.00158 0.00206 -0.01311 0.02597 186 22 H 1S -0.00568 0.00207 0.00549 -0.00193 0.00809 187 2S -0.00580 0.00284 0.00499 -0.00256 0.00828 188 23 H 1S 0.00696 -0.01312 -0.00751 0.00810 -0.02346 189 2S 0.00698 -0.01252 -0.00651 0.01254 -0.02988 161 162 163 164 165 161 2PX 0.35439 162 2PY -0.02302 0.41151 163 2PZ 0.04001 0.00391 0.38399 164 3S 0.01223 -0.00350 -0.02807 0.30060 165 3PX 0.19637 0.01982 -0.03217 0.02129 0.12487 166 3PY -0.00468 0.13002 -0.01758 0.00563 0.00624 167 3PZ -0.04854 -0.01430 0.17020 -0.02581 -0.05272 168 4XX -0.00888 0.00494 -0.00137 -0.01129 -0.00518 169 4YY 0.00429 -0.02195 -0.00253 0.00386 0.00113 170 4ZZ 0.00781 0.01079 0.00470 -0.00678 0.00449 171 4XY 0.00762 0.00004 0.00415 -0.00321 0.00319 172 4XZ -0.00453 0.00528 -0.00115 0.00351 -0.00169 173 4YZ 0.00335 -0.00230 0.01081 0.00061 0.00006 174 16 H 1S 0.03271 -0.00422 0.03215 -0.05772 0.01769 175 2S 0.07741 0.00141 0.06793 -0.05899 0.03768 176 17 H 1S -0.03031 0.01511 -0.01497 0.04153 -0.02563 177 2S -0.06563 0.03045 -0.02983 0.04888 -0.04372 178 18 H 1S 0.01088 0.00924 -0.00291 0.00542 0.01175 179 2S 0.03433 0.02541 -0.00579 0.01443 0.02816 180 19 H 1S 0.01223 0.01109 0.01093 0.01103 0.00908 181 2S 0.02775 0.02016 0.01337 0.01062 0.02204 182 20 H 1S -0.02500 -0.00183 -0.02344 -0.03206 -0.01669 183 2S -0.08201 -0.01218 -0.02897 -0.04475 -0.04622 184 21 H 1S 0.02938 -0.26416 -0.02267 0.11235 0.00497 185 2S 0.00925 -0.24493 -0.02201 0.03319 -0.01110 186 22 H 1S -0.00892 0.00399 0.02443 -0.00361 -0.00075 187 2S -0.01197 0.01245 0.03386 0.00097 -0.00617 188 23 H 1S -0.00302 -0.00514 -0.02614 -0.01620 0.00408 189 2S 0.00774 -0.01030 -0.05903 -0.01437 0.01446 166 167 168 169 170 166 3PY 0.05321 167 3PZ -0.01514 0.09658 168 4XX 0.00167 0.00075 0.00149 169 4YY -0.00652 -0.00038 -0.00052 0.00186 170 4ZZ 0.00330 -0.00006 0.00007 -0.00073 0.00145 171 4XY -0.00011 0.00028 0.00000 -0.00013 0.00035 172 4XZ 0.00145 0.00063 -0.00001 -0.00039 0.00006 173 4YZ -0.00162 0.00357 -0.00014 0.00011 0.00004 174 16 H 1S -0.01041 0.00730 0.00307 -0.00535 0.00632 175 2S -0.01146 0.01283 0.00158 -0.00515 0.00695 176 17 H 1S 0.00660 -0.01358 0.00034 -0.00257 0.00002 177 2S 0.01574 -0.01523 0.00109 -0.00387 -0.00050 178 18 H 1S -0.00990 -0.00326 -0.00021 0.00086 -0.00008 179 2S -0.00402 -0.00905 -0.00090 0.00150 -0.00030 180 19 H 1S -0.00455 0.00280 -0.00024 -0.00155 0.00123 181 2S -0.00341 -0.00197 -0.00114 -0.00211 0.00239 182 20 H 1S 0.00582 0.00221 0.00458 -0.00287 0.00115 183 2S -0.00375 0.01694 0.00610 -0.00199 -0.00220 184 21 H 1S -0.08410 -0.00407 -0.00852 0.01671 -0.00993 185 2S -0.07232 0.00215 -0.00501 0.01588 -0.00874 186 22 H 1S -0.00944 0.02497 0.00137 -0.00100 -0.00013 187 2S -0.00179 0.02865 0.00250 -0.00203 -0.00038 188 23 H 1S 0.00732 -0.02954 -0.00244 -0.00242 0.00811 189 2S 0.00678 -0.04306 -0.00103 -0.00166 0.00535 171 172 173 174 175 171 4XY 0.00042 172 4XZ -0.00009 0.00069 173 4YZ 0.00027 -0.00008 0.00065 174 16 H 1S 0.00349 0.00387 0.00211 0.21693 175 2S 0.00520 0.00176 0.00393 0.17899 0.17164 176 17 H 1S 0.00085 0.00030 0.00058 -0.02222 -0.02568 177 2S 0.00037 0.00117 0.00017 -0.02568 -0.03291 178 18 H 1S -0.00059 -0.00023 0.00041 -0.00941 -0.01833 179 2S -0.00078 -0.00062 0.00057 -0.02008 -0.02682 180 19 H 1S -0.00019 -0.00082 -0.00098 0.00342 0.01033 181 2S -0.00041 -0.00093 -0.00075 0.00712 0.01814 182 20 H 1S -0.00002 0.00707 -0.00220 -0.00882 -0.02287 183 2S -0.00147 0.00574 -0.00327 -0.02135 -0.03822 184 21 H 1S -0.00154 -0.00194 0.00170 -0.02290 -0.02724 185 2S -0.00135 -0.00309 0.00104 -0.02758 -0.03410 186 22 H 1S -0.00010 0.00069 -0.00105 -0.00063 -0.00022 187 2S 0.00006 0.00099 -0.00117 -0.00021 -0.00044 188 23 H 1S -0.00106 -0.00401 -0.00144 -0.00035 -0.00361 189 2S -0.00102 -0.00503 -0.00280 -0.00121 -0.00328 176 177 178 179 180 176 17 H 1S 0.21693 177 2S 0.17899 0.17164 178 18 H 1S -0.02289 -0.02724 0.21714 179 2S -0.02758 -0.03410 0.17586 0.16496 180 19 H 1S -0.00882 -0.02287 -0.01340 -0.00728 0.21593 181 2S -0.02135 -0.03821 -0.01059 -0.00005 0.16994 182 20 H 1S 0.00342 0.01033 -0.00724 -0.01829 -0.02780 183 2S 0.00712 0.01814 -0.01153 -0.02512 -0.03452 184 21 H 1S -0.00941 -0.01833 0.00159 -0.00152 -0.00724 185 2S -0.02008 -0.02682 -0.00152 -0.00431 -0.01829 186 22 H 1S -0.00034 -0.00360 -0.00897 -0.00496 -0.02500 187 2S -0.00120 -0.00328 -0.00566 -0.00227 -0.05205 188 23 H 1S -0.00063 -0.00022 -0.00529 -0.01306 0.01700 189 2S -0.00020 -0.00043 -0.01225 -0.01808 0.03046 181 182 183 184 185 181 2S 0.16628 182 20 H 1S -0.03452 0.21593 183 2S -0.04557 0.16993 0.16629 184 21 H 1S -0.01154 -0.01339 -0.01058 0.21714 185 2S -0.02513 -0.00727 -0.00004 0.17586 0.16496 186 22 H 1S -0.05356 0.01702 0.03246 -0.00529 -0.01306 187 2S -0.06141 0.03049 0.04132 -0.01224 -0.01807 188 23 H 1S 0.03244 -0.02500 -0.05356 -0.00897 -0.00497 189 2S 0.04129 -0.05205 -0.06142 -0.00567 -0.00228 186 187 188 189 186 22 H 1S 0.21529 187 2S 0.17308 0.15893 188 23 H 1S -0.03157 -0.03522 0.21529 189 2S -0.03521 -0.03752 0.17308 0.15893 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 0.43069 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.37882 6 3S -0.03170 0.22132 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 0.09297 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 O 1S 0.00000 -0.00006 -0.00048 -0.00006 -0.00028 17 2S -0.00002 0.00104 0.00849 0.00171 0.00516 18 2PX -0.00024 0.01219 0.01590 0.00661 0.01963 19 2PY -0.00005 0.00218 0.00602 -0.00067 0.00301 20 2PZ -0.00011 0.00477 0.01887 0.00318 0.00253 21 3S 0.00061 -0.00735 0.01469 -0.00371 0.00746 22 3PX -0.00226 0.02342 0.01029 0.00756 0.02076 23 3PY -0.00071 0.00626 0.00942 -0.00375 0.00481 24 3PZ -0.00096 0.00742 0.01888 0.00399 -0.00207 25 4XX -0.00009 0.00127 -0.00098 0.00104 0.00161 26 4YY -0.00001 0.00012 0.00061 0.00000 0.00028 27 4ZZ -0.00001 0.00009 0.00030 0.00043 -0.00046 28 4XY -0.00008 0.00088 0.00084 0.00020 0.00115 29 4XZ -0.00015 0.00130 0.00070 0.00034 -0.00008 30 4YZ -0.00004 0.00036 0.00123 0.00018 0.00005 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00016 -0.00030 -0.00018 -0.00012 33 2PX 0.00000 -0.00038 -0.00036 -0.00014 -0.00041 34 2PY 0.00000 -0.00003 -0.00032 0.00000 -0.00029 35 2PZ 0.00000 -0.00024 -0.00061 -0.00016 -0.00003 36 3S 0.00009 -0.00098 -0.00291 -0.00149 -0.00044 37 3PX 0.00018 -0.00203 -0.00095 -0.00093 -0.00124 38 3PY 0.00001 -0.00026 -0.00173 -0.00001 -0.00153 39 3PZ 0.00012 -0.00154 -0.00361 -0.00101 0.00036 40 4XX 0.00000 0.00004 0.00011 -0.00001 0.00010 41 4YY 0.00000 -0.00002 -0.00006 0.00000 -0.00004 42 4ZZ 0.00000 0.00001 0.00007 -0.00001 0.00003 43 4XY 0.00000 0.00002 0.00000 0.00000 0.00004 44 4XZ 0.00000 0.00001 0.00009 0.00000 0.00004 45 4YZ 0.00000 0.00000 0.00004 0.00000 -0.00001 46 4 C 1S 0.00000 -0.00065 0.00000 -0.00286 0.00000 47 2S -0.00065 0.01384 0.00000 0.04297 0.00000 48 2PX 0.00000 0.00000 0.01640 0.00000 0.00000 49 2PY -0.00287 0.04297 0.00000 0.10300 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.01211 51 3S 0.00011 0.00956 0.00000 0.03203 0.00000 52 3PX 0.00000 0.00000 0.02166 0.00000 0.00000 53 3PY -0.00013 0.01038 0.00000 0.01886 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.01873 55 4XX 0.00000 -0.00061 0.00000 -0.00167 0.00000 56 4YY -0.00027 0.00367 0.00000 0.00315 0.00000 57 4ZZ 0.00000 -0.00064 0.00000 -0.00128 0.00000 58 4XY 0.00000 0.00000 0.00205 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 0.00234 61 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00009 -0.00002 -0.00002 0.00051 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S 0.00000 0.00017 0.00068 0.00002 0.00003 65 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 -0.00003 -0.00003 -0.00007 -0.00003 67 2PX 0.00000 -0.00005 0.00010 -0.00012 -0.00007 68 2PY 0.00000 -0.00016 -0.00010 -0.00034 -0.00004 69 2PZ 0.00000 0.00000 -0.00008 -0.00014 0.00002 70 3S -0.00001 -0.00015 -0.00043 0.00138 -0.00129 71 3PX 0.00004 -0.00104 0.00070 -0.00111 -0.00130 72 3PY 0.00011 -0.00329 -0.00122 -0.00346 -0.00068 73 3PZ -0.00001 0.00015 -0.00130 -0.00196 -0.00024 74 4XX 0.00000 0.00000 -0.00001 -0.00005 0.00002 75 4YY 0.00000 -0.00003 -0.00001 -0.00005 0.00001 76 4ZZ 0.00000 0.00000 0.00001 -0.00002 0.00000 77 4XY 0.00000 0.00002 0.00002 0.00012 -0.00001 78 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 79 4YZ 0.00000 0.00002 0.00002 0.00007 0.00000 80 8 H 1S 0.00000 -0.00020 -0.00001 -0.00045 0.00000 81 2S 0.00024 -0.00382 -0.00027 -0.00595 -0.00030 82 9 H 1S -0.00236 0.03823 0.00581 0.03853 0.05489 83 2S -0.00192 0.02241 0.00247 0.02221 0.03133 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 86 2PX 0.00000 -0.00002 -0.00008 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00001 -0.00029 0.00030 0.00000 -0.00001 90 3PX 0.00006 -0.00143 -0.00169 -0.00001 -0.00008 91 3PY 0.00000 0.00000 0.00000 -0.00003 0.00000 92 3PZ 0.00000 -0.00004 -0.00016 0.00000 0.00001 93 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 -0.00003 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00003 -0.00037 0.00000 -0.00002 105 3PX 0.00002 -0.00038 -0.00238 0.00019 -0.00018 106 3PY 0.00000 -0.00004 -0.00037 -0.00001 -0.00002 107 3PZ 0.00000 -0.00003 -0.00012 0.00002 0.00015 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 117 2PY 0.00000 0.00000 0.00000 -0.00001 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 -0.00008 0.00018 -0.00011 0.00003 120 3PX 0.00001 -0.00017 -0.00033 -0.00054 -0.00033 121 3PY 0.00000 -0.00005 0.00062 -0.00002 0.00023 122 3PZ 0.00000 -0.00007 0.00000 -0.00031 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 -0.00007 -0.00023 -0.00005 -0.00031 135 3PX 0.00000 0.00001 0.00009 -0.00002 0.00010 136 3PY 0.00000 0.00001 -0.00007 0.00001 -0.00016 137 3PZ 0.00000 -0.00004 -0.00029 0.00000 -0.00029 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 146 2PX 0.00000 -0.00001 -0.00001 0.00000 -0.00002 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 -0.00001 -0.00003 0.00000 -0.00004 149 3S 0.00000 -0.00015 -0.00017 0.00000 -0.00002 150 3PX 0.00002 -0.00016 -0.00018 -0.00001 0.00018 151 3PY 0.00000 0.00000 0.00001 0.00003 0.00002 152 3PZ 0.00002 -0.00035 -0.00008 0.00000 -0.00037 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 -0.00008 0.00003 -0.00002 0.00007 161 2PX 0.00000 0.00013 0.00204 0.00020 0.00111 162 2PY 0.00000 0.00001 0.00028 -0.00001 0.00010 163 2PZ 0.00000 0.00005 0.00071 0.00004 0.00022 164 3S 0.00004 0.00014 0.00061 0.00007 0.00128 165 3PX 0.00004 -0.00038 0.00776 0.00087 0.00549 166 3PY -0.00002 0.00039 0.00085 -0.00007 0.00059 167 3PZ -0.00005 0.00064 0.00475 0.00059 0.00007 168 4XX 0.00000 0.00003 0.00009 0.00003 0.00004 169 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00003 0.00000 0.00001 172 4XZ 0.00000 0.00002 0.00009 0.00002 0.00001 173 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00009 0.00001 -0.00001 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00001 0.00001 0.00004 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00002 -0.00001 0.00004 -0.00001 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 183 2S 0.00001 -0.00017 -0.00012 -0.00003 -0.00126 184 21 H 1S 0.00000 0.00000 -0.00001 -0.00001 0.00000 185 2S 0.00001 -0.00009 -0.00061 -0.00045 -0.00017 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00001 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00001 0.00005 0.00000 0.00007 6 7 8 9 10 6 3S 0.30238 7 3PX 0.00000 0.10752 8 3PY 0.00000 0.00000 0.05313 9 3PZ 0.00000 0.00000 0.00000 0.09326 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 O 1S 0.00128 0.00012 -0.00024 0.00040 -0.00006 17 2S -0.01942 -0.00292 0.00273 -0.00508 0.00138 18 2PX 0.00361 0.00059 0.00088 0.00354 -0.00096 19 2PY 0.00274 -0.00034 0.00415 0.00004 0.00096 20 2PZ 0.00548 0.00691 0.00111 -0.00136 0.00397 21 3S -0.06778 -0.00104 0.00117 -0.01270 0.00244 22 3PX 0.00144 -0.00163 0.00035 0.00188 -0.00195 23 3PY 0.00726 -0.00034 0.01064 0.00017 0.00147 24 3PZ 0.01220 0.00729 0.00218 -0.00724 0.00627 25 4XX 0.00209 -0.00128 0.00059 0.00141 -0.00007 26 4YY 0.00064 0.00000 -0.00021 0.00012 0.00010 27 4ZZ 0.00073 0.00113 0.00015 -0.00059 -0.00001 28 4XY 0.00019 0.00001 0.00021 0.00007 -0.00005 29 4XZ 0.00037 0.00001 0.00003 0.00008 0.00003 30 4YZ 0.00012 0.00021 0.00012 0.00001 0.00016 31 3 C 1S 0.00006 0.00014 0.00007 0.00002 0.00000 32 2S -0.00090 -0.00167 -0.00102 0.00026 0.00001 33 2PX -0.00264 -0.00116 -0.00012 -0.00122 0.00005 34 2PY 0.00040 -0.00157 -0.00078 -0.00112 0.00000 35 2PZ -0.00187 -0.00288 -0.00017 0.00021 0.00004 36 3S 0.00149 -0.00488 -0.00286 0.00277 -0.00004 37 3PX -0.00468 -0.00073 -0.00046 -0.00117 -0.00001 38 3PY 0.00071 -0.00141 -0.00035 -0.00109 -0.00017 39 3PZ -0.00045 -0.00620 -0.00134 0.00048 0.00044 40 4XX 0.00003 0.00036 0.00003 0.00020 -0.00001 41 4YY -0.00023 -0.00041 0.00006 -0.00032 0.00000 42 4ZZ 0.00025 0.00021 -0.00012 0.00017 0.00001 43 4XY 0.00002 -0.00009 -0.00004 -0.00003 0.00000 44 4XZ -0.00010 0.00005 0.00002 0.00001 0.00001 45 4YZ 0.00000 0.00002 -0.00005 -0.00004 0.00001 46 4 C 1S 0.00011 0.00000 -0.00013 0.00000 0.00000 47 2S 0.00956 0.00000 0.01037 0.00000 -0.00061 48 2PX 0.00000 0.02166 0.00000 0.00000 0.00000 49 2PY 0.03203 0.00000 0.01886 0.00000 -0.00167 50 2PZ 0.00000 0.00000 0.00000 0.01873 0.00000 51 3S -0.01174 0.00000 -0.00774 0.00000 -0.00101 52 3PX 0.00000 0.02493 0.00000 0.00000 0.00000 53 3PY -0.00774 0.00000 0.00238 0.00000 -0.00166 54 3PZ 0.00000 0.00000 0.00000 0.02710 0.00000 55 4XX -0.00101 0.00000 -0.00166 0.00000 0.00004 56 4YY 0.00361 0.00000 0.00143 0.00000 -0.00005 57 4ZZ -0.00207 0.00000 -0.00096 0.00000 0.00000 58 4XY 0.00000 0.00113 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 0.00113 0.00000 61 5 H 1S 0.00021 0.00010 -0.00008 0.00018 0.00000 62 2S 0.00239 -0.00042 -0.00054 0.00259 0.00009 63 6 H 1S 0.00006 0.00030 0.00000 0.00004 0.00000 64 2S -0.00031 0.00313 0.00032 -0.00042 -0.00009 65 7 O 1S -0.00011 0.00000 -0.00014 0.00000 0.00000 66 2S 0.00175 -0.00001 0.00149 0.00019 0.00000 67 2PX -0.00098 0.00024 0.00014 -0.00032 0.00000 68 2PY -0.00391 0.00057 -0.00411 0.00089 0.00000 69 2PZ 0.00032 -0.00091 -0.00146 -0.00037 0.00000 70 3S 0.01002 0.00118 0.01200 -0.00278 -0.00009 71 3PX -0.00459 -0.00122 0.00131 -0.00172 -0.00002 72 3PY -0.01561 0.00190 -0.00972 0.00219 -0.00010 73 3PZ 0.00201 -0.00340 -0.00488 -0.00289 0.00004 74 4XX 0.00008 -0.00011 -0.00029 0.00020 0.00000 75 4YY -0.00056 -0.00001 -0.00055 0.00016 0.00000 76 4ZZ -0.00011 0.00004 -0.00014 -0.00003 0.00000 77 4XY -0.00004 0.00001 0.00009 -0.00001 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00002 0.00002 0.00002 0.00000 0.00000 80 8 H 1S -0.00418 0.00003 -0.00397 -0.00012 0.00000 81 2S -0.01561 -0.00006 -0.00811 0.00007 0.00023 82 9 H 1S 0.05282 0.00177 0.01252 0.02525 -0.00145 83 2S 0.03771 -0.00039 0.01031 0.02356 -0.00256 84 10 C 1S 0.00001 0.00004 0.00000 0.00000 0.00000 85 2S -0.00022 -0.00065 0.00000 -0.00006 0.00000 86 2PX -0.00141 -0.00046 -0.00001 -0.00019 0.00001 87 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 88 2PZ -0.00006 0.00001 0.00000 -0.00011 0.00000 89 3S -0.00022 0.00035 0.00000 0.00006 -0.00004 90 3PX -0.00786 -0.00257 -0.00002 -0.00044 0.00027 91 3PY 0.00001 0.00001 -0.00005 0.00000 0.00000 92 3PZ -0.00039 -0.00020 0.00000 0.00051 0.00003 93 4XX 0.00005 0.00034 0.00000 0.00003 0.00000 94 4YY -0.00002 -0.00007 0.00000 0.00000 0.00000 95 4ZZ 0.00000 -0.00009 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S -0.00005 -0.00017 -0.00002 0.00000 0.00000 101 2PX -0.00055 -0.00188 0.00051 -0.00014 0.00000 102 2PY -0.00007 -0.00021 0.00001 -0.00002 0.00000 103 2PZ -0.00003 -0.00012 0.00004 0.00020 0.00000 104 3S -0.00076 -0.00191 -0.00001 -0.00021 -0.00001 105 3PX -0.00413 -0.00956 0.00282 -0.00096 -0.00001 106 3PY -0.00081 -0.00165 0.00000 -0.00014 -0.00001 107 3PZ -0.00023 -0.00061 0.00017 0.00122 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 -0.00001 0.00001 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY -0.00001 0.00001 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00001 -0.00001 0.00000 0.00000 115 2S -0.00020 -0.00047 0.00003 -0.00022 0.00000 116 2PX -0.00015 -0.00029 -0.00009 -0.00033 0.00000 117 2PY -0.00051 -0.00024 -0.00035 -0.00015 0.00000 118 2PZ 0.00013 -0.00025 0.00017 0.00000 0.00000 119 3S -0.00008 0.00010 -0.00080 0.00043 0.00001 120 3PX -0.00065 -0.00161 0.00022 -0.00177 -0.00002 121 3PY -0.00001 0.00159 -0.00060 0.00093 0.00002 122 3PZ 0.00038 -0.00078 -0.00008 -0.00006 -0.00001 123 4XX 0.00004 0.00010 -0.00008 0.00007 0.00000 124 4YY 0.00002 -0.00002 0.00003 -0.00001 0.00000 125 4ZZ -0.00002 -0.00004 0.00001 -0.00002 0.00000 126 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 127 4XZ 0.00001 0.00001 -0.00001 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00001 0.00000 0.00001 0.00000 130 2S -0.00017 -0.00011 -0.00002 -0.00033 0.00000 131 2PX 0.00000 0.00007 -0.00009 0.00003 0.00000 132 2PY -0.00002 -0.00012 0.00002 -0.00001 0.00000 133 2PZ -0.00038 -0.00016 -0.00014 -0.00046 0.00000 134 3S -0.00190 -0.00155 -0.00028 -0.00263 -0.00001 135 3PX 0.00017 0.00026 -0.00044 0.00062 0.00000 136 3PY -0.00011 -0.00060 0.00001 -0.00038 0.00000 137 3PZ -0.00170 -0.00095 -0.00014 -0.00169 0.00000 138 4XX 0.00001 0.00001 0.00000 0.00002 0.00000 139 4YY 0.00000 -0.00001 0.00001 -0.00001 0.00000 140 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00001 0.00000 0.00000 0.00001 0.00000 143 4YZ 0.00001 0.00000 0.00000 0.00001 0.00000 144 14 C 1S 0.00001 0.00002 0.00000 0.00004 0.00000 145 2S -0.00003 -0.00065 -0.00002 -0.00040 0.00000 146 2PX -0.00003 -0.00038 -0.00001 -0.00034 0.00000 147 2PY -0.00001 0.00000 -0.00002 0.00000 0.00000 148 2PZ 0.00044 -0.00139 -0.00005 -0.00007 0.00000 149 3S 0.00071 -0.00064 -0.00007 0.00100 0.00004 150 3PX -0.00008 -0.00045 -0.00004 -0.00007 0.00004 151 3PY 0.00000 0.00004 -0.00002 0.00005 0.00000 152 3PZ 0.00096 -0.00201 -0.00009 0.00026 -0.00011 153 4XX 0.00000 -0.00002 0.00000 -0.00006 0.00000 154 4YY -0.00002 -0.00004 0.00000 -0.00006 0.00000 155 4ZZ 0.00004 0.00017 0.00000 0.00016 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00002 0.00009 0.00000 0.00014 0.00000 158 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 159 15 C 1S 0.00016 0.00003 0.00000 0.00004 0.00000 160 2S -0.00065 -0.00040 -0.00033 0.00025 0.00003 161 2PX 0.00234 0.00812 0.00105 0.00632 0.00012 162 2PY 0.00090 0.00149 0.00026 0.00056 0.00002 163 2PZ -0.00066 0.00512 0.00060 0.00003 0.00006 164 3S 0.00126 0.00341 0.00015 0.00207 0.00056 165 3PX 0.00244 0.01261 0.00214 0.01154 0.00070 166 3PY 0.00172 0.00220 -0.00001 0.00088 0.00021 167 3PZ 0.00107 0.01182 0.00151 -0.00216 0.00048 168 4XX 0.00037 0.00046 0.00013 0.00026 -0.00001 169 4YY -0.00017 -0.00022 0.00000 -0.00007 0.00000 170 4ZZ -0.00001 0.00002 -0.00004 -0.00001 0.00000 171 4XY 0.00003 0.00005 0.00000 0.00005 0.00000 172 4XZ 0.00009 0.00022 0.00006 0.00001 0.00000 173 4YZ 0.00000 0.00004 0.00000 0.00000 0.00000 174 16 H 1S 0.00001 0.00001 0.00000 -0.00002 0.00000 175 2S 0.00027 0.00048 0.00001 -0.00021 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S -0.00007 -0.00003 -0.00001 0.00004 0.00000 178 18 H 1S 0.00001 -0.00001 0.00003 0.00000 0.00000 179 2S 0.00040 0.00008 0.00046 0.00007 0.00000 180 19 H 1S 0.00000 0.00002 -0.00004 0.00001 0.00000 181 2S 0.00028 0.00011 0.00013 0.00001 0.00000 182 20 H 1S -0.00007 -0.00022 -0.00006 -0.00067 0.00000 183 2S -0.00144 -0.00106 -0.00020 -0.00526 -0.00007 184 21 H 1S -0.00055 -0.00060 0.00020 -0.00018 0.00000 185 2S -0.00322 -0.00284 0.00072 -0.00110 -0.00002 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00012 0.00003 0.00003 0.00015 0.00000 188 23 H 1S 0.00000 0.00004 0.00000 0.00002 0.00000 189 2S 0.00004 0.00100 0.00008 0.00076 0.00000 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 O 1S 0.00001 0.00000 -0.00005 -0.00008 -0.00003 17 2S -0.00019 0.00007 0.00089 0.00157 0.00056 18 2PX -0.00048 0.00157 0.00038 0.00289 0.00116 19 2PY 0.00017 0.00023 0.00025 0.00116 0.00016 20 2PZ -0.00031 -0.00055 0.00125 0.00026 -0.00003 21 3S -0.00007 -0.00012 0.00096 0.00101 0.00085 22 3PX -0.00143 0.00390 0.00001 0.00088 0.00070 23 3PY -0.00054 0.00045 0.00071 0.00077 0.00045 24 3PZ -0.00099 -0.00197 0.00073 -0.00001 0.00002 25 4XX -0.00001 0.00008 0.00004 0.00005 -0.00001 26 4YY -0.00004 0.00002 0.00002 0.00009 0.00001 27 4ZZ 0.00001 -0.00001 0.00000 -0.00002 -0.00001 28 4XY 0.00001 0.00004 0.00000 0.00013 -0.00003 29 4XZ -0.00003 -0.00001 0.00003 0.00005 0.00000 30 4YZ 0.00000 -0.00003 -0.00002 0.00001 0.00000 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S -0.00001 0.00002 0.00002 0.00001 0.00002 33 2PX -0.00002 0.00006 0.00004 0.00006 0.00004 34 2PY 0.00000 0.00003 0.00000 0.00000 0.00000 35 2PZ -0.00002 0.00003 0.00004 0.00005 0.00002 36 3S -0.00010 0.00015 0.00005 -0.00005 0.00008 37 3PX -0.00015 0.00042 0.00005 0.00006 0.00006 38 3PY 0.00003 0.00009 -0.00007 -0.00006 -0.00006 39 3PZ -0.00013 -0.00008 0.00002 -0.00001 0.00004 40 4XX 0.00000 0.00001 0.00000 0.00001 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00001 0.00000 0.00001 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S -0.00027 0.00000 0.00000 0.00000 0.00000 47 2S 0.00367 -0.00064 0.00000 0.00000 0.00000 48 2PX 0.00000 0.00000 0.00205 0.00000 0.00000 49 2PY 0.00315 -0.00128 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00234 51 3S 0.00361 -0.00207 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.00113 0.00000 0.00000 53 3PY 0.00143 -0.00096 0.00000 0.00000 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00113 55 4XX -0.00005 0.00000 0.00000 0.00000 0.00000 56 4YY -0.00005 -0.00004 0.00000 0.00000 0.00000 57 4ZZ -0.00004 0.00005 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 -0.00018 61 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00016 -0.00001 -0.00003 0.00001 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S 0.00001 0.00003 0.00000 0.00001 -0.00001 65 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 0.00000 67 2PX 0.00001 0.00000 0.00001 0.00000 0.00001 68 2PY 0.00002 0.00000 0.00001 0.00000 0.00001 69 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 70 3S 0.00013 0.00004 0.00003 -0.00003 0.00000 71 3PX 0.00012 0.00008 0.00007 0.00000 0.00007 72 3PY 0.00036 0.00002 0.00013 -0.00004 0.00009 73 3PZ 0.00004 -0.00004 0.00004 0.00000 -0.00001 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00001 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 H 1S 0.00001 0.00000 0.00000 0.00000 0.00004 81 2S -0.00027 0.00027 0.00001 0.00001 0.00022 82 9 H 1S -0.00033 0.00234 0.00041 0.00023 0.00377 83 2S -0.00044 0.00314 0.00010 0.00003 0.00064 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00001 0.00001 0.00000 0.00000 0.00000 90 3PX -0.00003 -0.00001 0.00000 0.00002 0.00000 91 3PY 0.00000 0.00000 -0.00002 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00001 0.00000 0.00000 0.00000 105 3PX -0.00001 0.00003 -0.00001 -0.00001 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00001 -0.00001 0.00001 0.00000 0.00001 120 3PX 0.00000 0.00001 0.00007 -0.00002 0.00005 121 3PY 0.00001 -0.00002 0.00002 0.00001 0.00001 122 3PZ 0.00000 0.00000 0.00004 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00002 0.00000 -0.00001 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ -0.00001 0.00002 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S -0.00002 0.00001 0.00000 0.00002 0.00000 150 3PX -0.00001 -0.00003 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 152 3PZ 0.00000 0.00015 0.00000 0.00002 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00001 0.00002 0.00001 161 2PX -0.00001 -0.00003 0.00002 0.00007 0.00001 162 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 163 2PZ 0.00000 -0.00001 0.00001 0.00001 0.00000 164 3S -0.00011 -0.00023 -0.00001 0.00006 0.00000 165 3PX -0.00015 -0.00026 0.00006 0.00018 0.00007 166 3PY -0.00003 -0.00012 0.00004 0.00002 0.00001 167 3PZ -0.00009 -0.00012 0.00003 0.00001 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00002 0.00011 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00005 -0.00001 0.00000 0.00000 0.00001 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 16 17 18 19 20 16 2 O 1S 2.07557 17 2S -0.04159 0.50359 18 2PX 0.00000 0.00000 0.64791 19 2PY 0.00000 0.00000 0.00000 0.66562 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.71650 21 3S -0.04102 0.45246 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.20361 0.00000 0.00000 23 3PY 0.00000 0.00000 0.00000 0.21182 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.23211 25 4XX -0.00051 -0.00156 0.00000 0.00000 0.00000 26 4YY -0.00042 -0.00456 0.00000 0.00000 0.00000 27 4ZZ -0.00047 -0.00299 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 -0.00001 -0.00005 -0.00022 -0.00005 32 2S -0.00001 0.00022 0.00251 0.01256 0.00249 33 2PX -0.00012 0.00238 -0.00016 0.01062 0.00213 34 2PY -0.00042 0.00832 0.00934 0.02341 0.01090 35 2PZ -0.00012 0.00236 0.00233 0.01134 -0.00004 36 3S 0.00106 -0.01601 0.00165 0.01000 0.00124 37 3PX 0.00013 -0.00145 0.00018 0.00431 0.00177 38 3PY -0.00015 0.00066 0.00390 0.00085 0.00528 39 3PZ 0.00011 -0.00119 0.00263 0.00439 0.00255 40 4XX 0.00001 -0.00028 0.00005 0.00007 0.00031 41 4YY -0.00008 0.00199 0.00137 -0.00048 0.00163 42 4ZZ 0.00001 -0.00022 0.00030 0.00008 0.00002 43 4XY -0.00004 0.00093 -0.00007 0.00225 0.00135 44 4XZ -0.00001 0.00019 -0.00001 0.00099 -0.00001 45 4YZ -0.00005 0.00114 0.00132 0.00250 -0.00012 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00003 -0.00005 -0.00016 0.00000 48 2PX 0.00000 -0.00003 0.00010 -0.00010 -0.00008 49 2PY 0.00000 -0.00007 -0.00012 -0.00034 -0.00014 50 2PZ 0.00000 -0.00003 -0.00007 -0.00004 0.00002 51 3S -0.00011 0.00175 -0.00098 -0.00391 0.00032 52 3PX 0.00000 -0.00001 0.00024 0.00057 -0.00091 53 3PY -0.00014 0.00149 0.00014 -0.00411 -0.00146 54 3PZ 0.00000 0.00019 -0.00032 0.00089 -0.00037 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00001 0.00002 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00001 0.00001 0.00001 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00001 0.00001 0.00000 61 5 H 1S 0.00000 -0.00004 0.00002 -0.00003 -0.00026 62 2S 0.00005 -0.00073 0.00089 -0.00090 -0.00756 63 6 H 1S 0.00000 -0.00005 -0.00023 -0.00003 0.00003 64 2S 0.00006 -0.00107 -0.00553 -0.00102 0.00091 65 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 67 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 68 2PY 0.00000 -0.00001 0.00000 -0.00009 0.00000 69 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 3S -0.00002 0.00039 0.00000 -0.00113 0.00000 71 3PX 0.00000 0.00000 0.00005 0.00000 0.00000 72 3PY 0.00002 -0.00063 0.00000 -0.00629 0.00000 73 3PZ 0.00000 0.00000 0.00000 0.00000 0.00014 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00003 0.00010 0.00014 -0.00001 82 9 H 1S 0.00000 -0.00006 -0.00004 -0.00001 -0.00014 83 2S 0.00016 -0.00225 -0.00058 -0.00012 -0.00325 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00000 0.00000 0.00000 0.00000 90 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00001 0.00001 0.00000 121 3PY 0.00000 -0.00001 -0.00001 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00002 0.00000 0.00001 135 3PX 0.00000 0.00000 -0.00001 -0.00002 0.00002 136 3PY 0.00000 0.00000 -0.00002 0.00000 -0.00001 137 3PZ 0.00000 0.00000 0.00000 0.00001 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 -0.00009 -0.00006 0.00002 -0.00006 150 3PX 0.00000 -0.00007 -0.00019 0.00004 -0.00031 151 3PY 0.00000 -0.00001 -0.00004 -0.00002 -0.00004 152 3PZ 0.00000 0.00001 0.00028 -0.00002 0.00019 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00004 -0.00039 -0.00002 -0.00005 165 3PX -0.00001 0.00008 -0.00078 0.00002 -0.00006 166 3PY 0.00000 0.00001 -0.00007 0.00001 -0.00001 167 3PZ 0.00000 -0.00002 -0.00008 0.00000 0.00011 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00001 -0.00001 0.00001 -0.00001 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S -0.00001 0.00014 0.00058 0.00001 0.00128 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00002 0.00000 0.00002 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 21 22 23 24 25 21 3S 0.75617 22 3PX 0.00000 0.26577 23 3PY 0.00000 0.00000 0.26980 24 3PZ 0.00000 0.00000 0.00000 0.30849 25 4XX -0.00294 0.00000 0.00000 0.00000 0.00104 26 4YY -0.01283 0.00000 0.00000 0.00000 -0.00011 27 4ZZ -0.00451 0.00000 0.00000 0.00000 0.00001 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 0.00084 -0.00032 -0.00300 -0.00029 0.00000 32 2S -0.01440 0.00325 0.02932 0.00288 -0.00010 33 2PX 0.00278 -0.00392 0.01402 0.00123 -0.00008 34 2PY 0.00788 0.00863 0.01969 0.01198 -0.00038 35 2PZ 0.00308 0.00160 0.01545 -0.00395 -0.00003 36 3S -0.06227 0.00174 0.02199 -0.00041 0.00031 37 3PX -0.00434 0.00062 0.00668 0.00232 -0.00032 38 3PY -0.00312 0.00455 -0.00009 0.00761 -0.00014 39 3PZ -0.00504 0.00430 0.00682 0.00837 -0.00005 40 4XX -0.00147 -0.00113 0.00041 0.00137 0.00003 41 4YY 0.00617 0.00172 -0.00079 0.00233 -0.00010 42 4ZZ -0.00165 0.00131 0.00022 -0.00138 -0.00003 43 4XY 0.00069 0.00056 0.00092 0.00087 0.00000 44 4XZ 0.00008 0.00004 0.00063 0.00003 0.00000 45 4YZ 0.00088 0.00085 0.00103 0.00059 -0.00006 46 4 C 1S -0.00001 0.00004 0.00011 -0.00001 0.00000 47 2S -0.00015 -0.00104 -0.00329 0.00015 0.00000 48 2PX -0.00043 0.00070 -0.00122 -0.00130 -0.00001 49 2PY 0.00138 -0.00111 -0.00346 -0.00196 -0.00005 50 2PZ -0.00129 -0.00130 -0.00068 -0.00025 0.00002 51 3S 0.01002 -0.00459 -0.01561 0.00201 0.00008 52 3PX 0.00118 -0.00122 0.00190 -0.00340 -0.00011 53 3PY 0.01200 0.00131 -0.00972 -0.00487 -0.00029 54 3PZ -0.00278 -0.00172 0.00219 -0.00289 0.00020 55 4XX -0.00009 -0.00002 -0.00010 0.00004 0.00000 56 4YY 0.00013 0.00012 0.00036 0.00004 0.00000 57 4ZZ 0.00004 0.00008 0.00002 -0.00004 0.00000 58 4XY 0.00003 0.00007 0.00013 0.00004 0.00000 59 4XZ -0.00003 0.00000 -0.00004 0.00000 0.00000 60 4YZ 0.00000 0.00007 0.00009 -0.00001 0.00000 61 5 H 1S -0.00186 0.00062 -0.00064 -0.00614 -0.00001 62 2S -0.00585 0.00419 -0.00312 -0.03003 -0.00022 63 6 H 1S -0.00165 -0.00522 -0.00040 0.00076 0.00010 64 2S -0.00220 -0.02178 -0.00267 0.00434 0.00072 65 7 O 1S -0.00002 0.00000 0.00002 0.00000 0.00000 66 2S 0.00039 0.00000 -0.00063 0.00000 0.00000 67 2PX 0.00000 0.00005 0.00000 0.00000 0.00000 68 2PY -0.00113 0.00000 -0.00629 0.00000 0.00000 69 2PZ 0.00000 0.00000 0.00000 0.00014 0.00000 70 3S 0.00661 0.00000 -0.00516 0.00000 -0.00002 71 3PX 0.00000 0.00052 0.00000 0.00000 0.00000 72 3PY -0.00516 0.00000 -0.02518 0.00000 -0.00006 73 3PZ 0.00000 0.00000 0.00000 0.00163 0.00000 74 4XX -0.00002 0.00000 -0.00006 0.00000 0.00000 75 4YY -0.00029 0.00000 0.00002 0.00000 0.00000 76 4ZZ 0.00002 0.00000 -0.00005 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 H 1S 0.00001 0.00002 0.00003 0.00000 0.00000 81 2S 0.00029 0.00085 0.00122 -0.00018 0.00000 82 9 H 1S -0.00308 -0.00017 -0.00010 -0.00288 0.00003 83 2S -0.01369 0.00033 -0.00030 -0.01157 0.00011 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00008 -0.00002 -0.00003 0.00000 90 3PX 0.00024 0.00030 -0.00003 -0.00005 -0.00001 91 3PY 0.00001 0.00004 0.00001 0.00000 0.00000 92 3PZ -0.00003 0.00002 0.00000 0.00003 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00002 0.00004 0.00001 0.00000 0.00000 105 3PX 0.00006 0.00032 0.00002 -0.00004 0.00000 106 3PY 0.00001 0.00005 0.00000 0.00000 0.00000 107 3PZ 0.00000 -0.00003 0.00001 -0.00001 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S -0.00007 -0.00007 -0.00007 -0.00001 0.00000 120 3PX -0.00005 0.00013 0.00009 0.00000 0.00000 121 3PY -0.00008 -0.00022 -0.00003 -0.00002 0.00000 122 3PZ -0.00001 0.00000 0.00000 0.00002 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00001 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 134 3S 0.00006 0.00035 -0.00004 0.00015 0.00000 135 3PX -0.00005 -0.00009 -0.00024 0.00012 0.00000 136 3PY -0.00001 -0.00017 -0.00002 -0.00007 0.00000 137 3PZ 0.00012 0.00008 0.00010 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S -0.00001 -0.00005 0.00000 -0.00002 0.00000 146 2PX -0.00010 -0.00014 0.00000 -0.00010 0.00000 147 2PY 0.00000 -0.00001 0.00000 -0.00001 0.00000 148 2PZ -0.00004 -0.00005 -0.00001 0.00002 0.00000 149 3S -0.00078 -0.00049 0.00015 -0.00046 -0.00001 150 3PX -0.00100 -0.00116 0.00019 -0.00169 -0.00001 151 3PY -0.00007 -0.00026 -0.00015 -0.00024 -0.00001 152 3PZ -0.00014 0.00167 -0.00013 0.00090 0.00002 153 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 -0.00011 0.00000 -0.00001 0.00000 161 2PX -0.00009 -0.00099 -0.00001 -0.00009 0.00000 162 2PY 0.00000 -0.00002 0.00000 0.00000 0.00000 163 2PZ 0.00001 -0.00003 0.00000 0.00005 0.00000 164 3S 0.00004 -0.00341 -0.00013 -0.00044 -0.00002 165 3PX 0.00079 -0.00509 0.00011 -0.00047 0.00010 166 3PY 0.00005 -0.00042 0.00010 -0.00005 0.00000 167 3PZ -0.00007 -0.00053 -0.00002 0.00119 0.00001 168 4XX -0.00001 0.00003 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00016 -0.00013 0.00017 -0.00008 0.00000 182 20 H 1S -0.00014 0.00000 0.00000 -0.00002 0.00000 183 2S 0.00092 0.00353 0.00007 0.00672 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00026 0.00011 0.00012 0.00001 -0.00001 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 -0.00001 0.00000 -0.00001 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00004 0.00000 0.00000 -0.00002 0.00000 26 27 28 29 30 26 4YY 0.00294 27 4ZZ -0.00008 0.00079 28 4XY 0.00000 0.00000 0.00161 29 4XZ 0.00000 0.00000 0.00000 0.00045 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00151 31 3 C 1S -0.00016 0.00000 -0.00006 -0.00001 -0.00007 32 2S 0.00280 -0.00007 0.00071 0.00011 0.00087 33 2PX 0.00180 0.00002 0.00006 0.00003 0.00054 34 2PY 0.00191 -0.00017 0.00036 0.00010 0.00075 35 2PZ 0.00188 -0.00009 0.00043 0.00001 0.00002 36 3S 0.00289 0.00029 0.00025 0.00002 0.00030 37 3PX 0.00087 0.00001 0.00017 0.00007 0.00012 38 3PY 0.00032 0.00018 0.00004 -0.00001 0.00005 39 3PZ 0.00093 -0.00026 0.00013 0.00005 0.00021 40 4XX -0.00001 -0.00004 0.00000 0.00000 0.00000 41 4YY -0.00006 -0.00008 0.00009 -0.00005 0.00010 42 4ZZ 0.00002 0.00003 0.00000 0.00000 0.00000 43 4XY 0.00014 -0.00005 0.00000 0.00000 0.00010 44 4XZ 0.00015 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00018 0.00000 0.00007 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S -0.00003 0.00000 0.00002 0.00000 0.00002 48 2PX -0.00001 0.00001 0.00002 0.00000 0.00002 49 2PY -0.00005 -0.00002 0.00012 0.00001 0.00007 50 2PZ 0.00001 0.00000 -0.00001 0.00000 0.00000 51 3S -0.00056 -0.00011 -0.00004 0.00000 0.00002 52 3PX -0.00001 0.00004 0.00001 0.00000 0.00002 53 3PY -0.00055 -0.00014 0.00009 0.00000 0.00002 54 3PZ 0.00016 -0.00003 -0.00001 0.00000 0.00000 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00001 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00001 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 H 1S 0.00000 0.00009 0.00000 0.00001 0.00003 62 2S -0.00014 0.00078 0.00002 0.00003 -0.00016 63 6 H 1S 0.00000 -0.00001 0.00003 0.00001 0.00000 64 2S -0.00028 -0.00023 -0.00009 0.00002 0.00001 65 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 0.00000 67 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 68 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 69 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 3S -0.00029 0.00002 0.00000 0.00000 0.00000 71 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 72 3PY 0.00002 -0.00005 0.00000 0.00000 0.00000 73 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00003 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00002 -0.00001 0.00000 0.00000 -0.00001 82 9 H 1S 0.00000 0.00008 0.00001 0.00006 0.00001 83 2S 0.00015 0.00047 0.00002 0.00007 0.00004 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00000 0.00000 0.00000 0.00000 90 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00001 0.00000 0.00000 0.00001 0.00000 150 3PX 0.00002 0.00001 0.00000 0.00002 -0.00001 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ -0.00001 0.00000 0.00000 0.00001 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00002 0.00000 0.00000 0.00000 0.00000 165 3PX -0.00003 -0.00005 0.00001 0.00000 0.00000 166 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S -0.00008 0.00005 0.00000 0.00004 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 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 31 32 33 34 35 31 3 C 1S 2.04980 32 2S -0.01427 0.34291 33 2PX 0.00000 0.00000 0.42805 34 2PY 0.00000 0.00000 0.00000 0.29269 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.42488 36 3S -0.02762 0.21128 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.08854 0.00000 0.00000 38 3PY 0.00000 0.00000 0.00000 0.04043 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.08273 40 4XX -0.00141 0.00019 0.00000 0.00000 0.00000 41 4YY -0.00104 -0.00728 0.00000 0.00000 0.00000 42 4ZZ -0.00140 -0.00031 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 -0.00016 -0.00038 -0.00003 -0.00024 48 2PX 0.00000 -0.00030 -0.00036 -0.00032 -0.00061 49 2PY 0.00000 -0.00018 -0.00014 0.00000 -0.00016 50 2PZ 0.00000 -0.00012 -0.00041 -0.00029 -0.00003 51 3S 0.00006 -0.00090 -0.00264 0.00040 -0.00187 52 3PX 0.00014 -0.00167 -0.00116 -0.00157 -0.00288 53 3PY 0.00007 -0.00102 -0.00012 -0.00078 -0.00017 54 3PZ 0.00002 0.00026 -0.00122 -0.00112 0.00021 55 4XX 0.00000 0.00001 0.00005 0.00000 0.00004 56 4YY 0.00000 -0.00001 -0.00002 0.00000 -0.00002 57 4ZZ 0.00000 0.00002 0.00006 0.00003 0.00003 58 4XY 0.00000 0.00002 0.00004 0.00000 0.00004 59 4XZ 0.00000 0.00001 0.00006 0.00000 0.00005 60 4YZ 0.00000 0.00002 0.00004 0.00000 0.00002 61 5 H 1S -0.00189 0.03298 0.00488 0.00000 0.09572 62 2S -0.00105 0.01599 0.00409 0.00000 0.05685 63 6 H 1S -0.00189 0.03335 0.09740 0.00000 0.00386 64 2S -0.00112 0.01682 0.05688 0.00000 0.00314 65 7 O 1S 0.00000 -0.00001 -0.00012 -0.00042 -0.00012 66 2S -0.00001 0.00022 0.00238 0.00832 0.00236 67 2PX -0.00005 0.00251 -0.00016 0.00934 0.00233 68 2PY -0.00022 0.01257 0.01062 0.02342 0.01134 69 2PZ -0.00005 0.00249 0.00213 0.01090 -0.00004 70 3S 0.00084 -0.01440 0.00278 0.00788 0.00307 71 3PX -0.00032 0.00325 -0.00392 0.00863 0.00160 72 3PY -0.00300 0.02932 0.01402 0.01971 0.01545 73 3PZ -0.00029 0.00287 0.00123 0.01197 -0.00395 74 4XX 0.00000 -0.00010 -0.00008 -0.00038 -0.00003 75 4YY -0.00016 0.00280 0.00180 0.00191 0.00188 76 4ZZ 0.00000 -0.00007 0.00002 -0.00017 -0.00009 77 4XY -0.00006 0.00071 0.00006 0.00037 0.00043 78 4XZ -0.00001 0.00011 0.00003 0.00010 0.00001 79 4YZ -0.00007 0.00087 0.00054 0.00075 0.00002 80 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00020 0.00020 0.00017 0.00029 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00000 0.00020 0.00020 0.00017 0.00029 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00000 0.00000 0.00000 0.00000 90 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00001 0.00002 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00001 -0.00001 0.00000 121 3PY 0.00000 0.00000 0.00001 0.00000 0.00000 122 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 -0.00001 -0.00002 0.00001 -0.00003 135 3PX 0.00000 -0.00004 -0.00005 0.00000 -0.00006 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 137 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 -0.00001 -0.00002 0.00001 -0.00003 150 3PX 0.00000 -0.00004 -0.00005 0.00000 -0.00007 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 152 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00001 0.00002 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00001 -0.00001 0.00000 166 3PY 0.00000 0.00000 0.00001 0.00000 0.00000 167 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00001 -0.00016 -0.00018 -0.00006 -0.00001 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00001 -0.00016 -0.00018 -0.00006 -0.00001 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 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 36 37 38 39 40 36 3S 0.23348 37 3PX 0.00000 0.06207 38 3PY 0.00000 0.00000 0.02606 39 3PZ 0.00000 0.00000 0.00000 0.06494 40 4XX 0.00151 0.00000 0.00000 0.00000 0.00335 41 4YY -0.00812 0.00000 0.00000 0.00000 -0.00041 42 4ZZ 0.00201 0.00000 0.00000 0.00000 -0.00055 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 0.00009 0.00018 0.00001 0.00012 0.00000 47 2S -0.00098 -0.00203 -0.00026 -0.00154 0.00004 48 2PX -0.00291 -0.00095 -0.00173 -0.00361 0.00011 49 2PY -0.00149 -0.00093 -0.00001 -0.00101 -0.00001 50 2PZ -0.00044 -0.00124 -0.00153 0.00036 0.00010 51 3S 0.00149 -0.00468 0.00071 -0.00045 0.00003 52 3PX -0.00488 -0.00073 -0.00141 -0.00620 0.00036 53 3PY -0.00286 -0.00046 -0.00035 -0.00134 0.00003 54 3PZ 0.00277 -0.00116 -0.00109 0.00048 0.00020 55 4XX -0.00004 -0.00001 -0.00017 0.00044 -0.00001 56 4YY -0.00010 -0.00015 0.00003 -0.00013 0.00000 57 4ZZ 0.00015 0.00042 0.00009 -0.00008 0.00001 58 4XY 0.00005 0.00005 -0.00007 0.00002 0.00000 59 4XZ -0.00005 0.00006 -0.00006 -0.00001 0.00001 60 4YZ 0.00008 0.00006 -0.00006 0.00004 0.00000 61 5 H 1S 0.04348 0.00168 0.00000 0.04186 -0.00142 62 2S 0.03018 0.00184 0.00000 0.02576 -0.00569 63 6 H 1S 0.03985 0.04873 0.00000 0.00026 0.00897 64 2S 0.02109 0.04010 0.00000 -0.00020 0.00902 65 7 O 1S 0.00106 0.00013 -0.00015 0.00011 0.00001 66 2S -0.01601 -0.00145 0.00066 -0.00118 -0.00028 67 2PX 0.00165 0.00018 0.00390 0.00263 0.00005 68 2PY 0.01000 0.00431 0.00085 0.00439 0.00007 69 2PZ 0.00124 0.00176 0.00528 0.00255 0.00031 70 3S -0.06227 -0.00434 -0.00312 -0.00504 -0.00147 71 3PX 0.00174 0.00062 0.00456 0.00430 -0.00113 72 3PY 0.02200 0.00668 -0.00009 0.00681 0.00041 73 3PZ -0.00041 0.00232 0.00760 0.00838 0.00137 74 4XX 0.00031 -0.00032 -0.00014 -0.00005 0.00003 75 4YY 0.00289 0.00087 0.00032 0.00093 -0.00001 76 4ZZ 0.00029 0.00001 0.00018 -0.00026 -0.00004 77 4XY 0.00025 0.00017 0.00004 0.00013 0.00000 78 4XZ 0.00002 0.00007 -0.00001 0.00005 0.00000 79 4YZ 0.00030 0.00012 0.00005 0.00021 0.00000 80 8 H 1S 0.00014 0.00015 0.00019 0.00008 0.00000 81 2S 0.00131 0.00123 0.00115 0.00056 0.00001 82 9 H 1S 0.00014 0.00015 0.00018 0.00008 0.00000 83 2S 0.00131 0.00123 0.00115 0.00056 0.00001 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S -0.00001 0.00000 0.00000 0.00000 0.00000 90 3PX -0.00004 -0.00003 0.00000 -0.00005 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S -0.00001 0.00000 0.00000 0.00000 0.00000 105 3PX -0.00004 -0.00003 0.00000 -0.00005 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00002 0.00000 0.00000 0.00001 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00009 0.00002 -0.00005 0.00002 -0.00001 120 3PX 0.00016 -0.00008 -0.00006 0.00004 -0.00001 121 3PY 0.00004 -0.00005 0.00000 0.00002 -0.00001 122 3PZ -0.00002 -0.00002 0.00000 0.00010 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S -0.00002 0.00002 0.00000 -0.00001 0.00000 131 2PX -0.00006 0.00014 0.00003 -0.00013 0.00000 132 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 133 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 134 3S -0.00008 0.00016 0.00001 -0.00013 0.00001 135 3PX -0.00026 0.00044 -0.00001 -0.00058 0.00000 136 3PY 0.00001 0.00013 -0.00001 0.00006 0.00000 137 3PZ -0.00001 0.00005 0.00002 -0.00007 0.00001 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S -0.00002 0.00002 0.00000 -0.00001 0.00000 146 2PX -0.00006 0.00014 0.00003 -0.00013 0.00000 147 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 148 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 149 3S -0.00008 0.00016 0.00001 -0.00013 0.00001 150 3PX -0.00026 0.00044 -0.00001 -0.00058 0.00000 151 3PY 0.00001 0.00013 -0.00001 0.00006 0.00000 152 3PZ -0.00001 0.00005 0.00002 -0.00007 0.00001 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00002 0.00000 0.00000 0.00001 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00009 0.00002 -0.00005 0.00002 -0.00001 165 3PX 0.00016 -0.00008 -0.00006 0.00004 -0.00001 166 3PY 0.00004 -0.00005 0.00000 0.00002 -0.00001 167 3PZ -0.00002 -0.00002 0.00000 0.00010 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S -0.00001 -0.00001 -0.00001 0.00000 0.00000 180 19 H 1S -0.00011 0.00017 0.00009 -0.00022 0.00000 181 2S -0.00101 0.00046 0.00062 0.00006 0.00004 182 20 H 1S -0.00011 0.00017 0.00009 -0.00022 0.00000 183 2S -0.00101 0.00046 0.00062 0.00006 0.00004 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S -0.00001 -0.00001 -0.00001 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00002 -0.00002 -0.00001 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00002 -0.00002 -0.00001 0.00000 0.00000 41 42 43 44 45 41 4YY 0.00343 42 4ZZ -0.00046 0.00350 43 4XY 0.00000 0.00000 0.00248 44 4XZ 0.00000 0.00000 0.00000 0.00106 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00274 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S -0.00002 0.00001 0.00002 0.00001 0.00000 48 2PX -0.00006 0.00007 0.00000 0.00009 0.00004 49 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 50 2PZ -0.00004 0.00003 0.00004 0.00004 -0.00001 51 3S -0.00023 0.00025 0.00002 -0.00010 0.00000 52 3PX -0.00041 0.00021 -0.00009 0.00005 0.00002 53 3PY 0.00006 -0.00012 -0.00004 0.00002 -0.00005 54 3PZ -0.00032 0.00017 -0.00003 0.00001 -0.00004 55 4XX 0.00000 0.00001 0.00000 0.00001 0.00001 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 -0.00001 0.00001 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00001 0.00001 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 H 1S -0.00145 0.00894 0.00000 0.00061 0.00000 62 2S -0.00314 0.01031 0.00000 0.00010 0.00000 63 6 H 1S -0.00137 -0.00146 0.00000 0.00049 0.00000 64 2S -0.00240 -0.00536 0.00000 0.00008 0.00000 65 7 O 1S -0.00008 0.00001 -0.00004 -0.00001 -0.00005 66 2S 0.00199 -0.00022 0.00093 0.00019 0.00114 67 2PX 0.00137 0.00030 -0.00007 -0.00001 0.00132 68 2PY -0.00048 0.00008 0.00225 0.00099 0.00250 69 2PZ 0.00163 0.00002 0.00135 -0.00001 -0.00012 70 3S 0.00617 -0.00165 0.00069 0.00008 0.00088 71 3PX 0.00172 0.00131 0.00056 0.00004 0.00085 72 3PY -0.00079 0.00022 0.00092 0.00063 0.00103 73 3PZ 0.00233 -0.00138 0.00087 0.00003 0.00059 74 4XX -0.00010 -0.00003 0.00000 0.00000 -0.00006 75 4YY -0.00006 0.00002 0.00014 0.00015 0.00018 76 4ZZ -0.00008 0.00003 -0.00005 0.00000 0.00000 77 4XY 0.00009 0.00000 0.00000 0.00000 0.00007 78 4XZ -0.00005 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00010 0.00000 0.00010 0.00000 0.00000 80 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00001 -0.00003 0.00000 0.00000 0.00000 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00001 -0.00003 0.00000 0.00000 0.00000 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00000 0.00000 0.00000 0.00000 90 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00002 -0.00005 0.00002 0.00001 0.00002 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00002 -0.00005 0.00002 0.00001 0.00002 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 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 2.05255 47 2S -0.01388 0.33288 48 2PX 0.00000 0.00000 0.34621 49 2PY 0.00000 0.00000 0.00000 0.43071 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.37881 51 3S -0.03170 0.22133 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.09507 0.00000 0.00000 53 3PY 0.00000 0.00000 0.00000 0.07004 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.09297 55 4XX -0.00093 -0.00929 0.00000 0.00000 0.00000 56 4YY -0.00136 -0.00072 0.00000 0.00000 0.00000 57 4ZZ -0.00124 -0.00291 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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00009 -0.00002 -0.00002 0.00051 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S 0.00000 0.00017 0.00068 0.00002 0.00003 65 7 O 1S 0.00000 -0.00006 -0.00048 -0.00006 -0.00028 66 2S -0.00002 0.00104 0.00849 0.00171 0.00516 67 2PX -0.00024 0.01219 0.01590 0.00661 0.01964 68 2PY -0.00005 0.00218 0.00602 -0.00067 0.00301 69 2PZ -0.00011 0.00478 0.01887 0.00318 0.00253 70 3S 0.00061 -0.00735 0.01469 -0.00371 0.00746 71 3PX -0.00226 0.02342 0.01029 0.00755 0.02076 72 3PY -0.00071 0.00625 0.00942 -0.00375 0.00481 73 3PZ -0.00096 0.00742 0.01889 0.00399 -0.00207 74 4XX -0.00009 0.00127 -0.00098 0.00104 0.00161 75 4YY -0.00001 0.00012 0.00061 0.00000 0.00028 76 4ZZ -0.00001 0.00009 0.00030 0.00043 -0.00046 77 4XY -0.00008 0.00088 0.00084 0.00020 0.00115 78 4XZ -0.00015 0.00130 0.00070 0.00034 -0.00008 79 4YZ -0.00004 0.00036 0.00123 0.00018 0.00005 80 8 H 1S -0.00236 0.03823 0.00581 0.03854 0.05488 81 2S -0.00192 0.02241 0.00246 0.02222 0.03132 82 9 H 1S 0.00000 -0.00020 -0.00001 -0.00045 0.00000 83 2S 0.00024 -0.00382 -0.00027 -0.00595 -0.00030 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 -0.00003 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00003 -0.00037 0.00000 -0.00002 90 3PX 0.00002 -0.00038 -0.00238 0.00019 -0.00018 91 3PY 0.00000 -0.00004 -0.00037 -0.00001 -0.00002 92 3PZ 0.00000 -0.00003 -0.00012 0.00002 0.00015 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 101 2PX 0.00000 -0.00002 -0.00008 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00001 -0.00029 0.00030 0.00000 -0.00001 105 3PX 0.00006 -0.00144 -0.00169 -0.00001 -0.00008 106 3PY 0.00000 0.00000 0.00000 -0.00003 0.00000 107 3PZ 0.00000 -0.00004 -0.00016 0.00000 0.00001 108 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 -0.00008 0.00003 -0.00002 0.00007 116 2PX 0.00000 0.00013 0.00204 0.00020 0.00111 117 2PY 0.00000 0.00001 0.00028 -0.00001 0.00010 118 2PZ 0.00000 0.00005 0.00071 0.00004 0.00022 119 3S 0.00004 0.00014 0.00061 0.00007 0.00128 120 3PX 0.00004 -0.00038 0.00776 0.00087 0.00549 121 3PY -0.00002 0.00039 0.00085 -0.00007 0.00059 122 3PZ -0.00005 0.00064 0.00475 0.00059 0.00007 123 4XX 0.00000 0.00003 0.00009 0.00003 0.00004 124 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00003 0.00000 0.00001 127 4XZ 0.00000 0.00002 0.00009 0.00002 0.00001 128 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 131 2PX 0.00000 -0.00001 -0.00001 0.00000 -0.00002 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 -0.00001 -0.00003 0.00000 -0.00004 134 3S 0.00000 -0.00015 -0.00017 0.00000 -0.00002 135 3PX 0.00002 -0.00016 -0.00018 -0.00001 0.00018 136 3PY 0.00000 0.00000 0.00001 0.00003 0.00002 137 3PZ 0.00002 -0.00035 -0.00008 0.00000 -0.00037 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 -0.00007 -0.00023 -0.00005 -0.00031 150 3PX 0.00000 0.00001 0.00009 -0.00002 0.00010 151 3PY 0.00000 0.00001 -0.00007 0.00001 -0.00016 152 3PZ 0.00000 -0.00004 -0.00029 0.00000 -0.00029 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 162 2PY 0.00000 0.00000 0.00000 -0.00001 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 -0.00008 0.00018 -0.00011 0.00003 165 3PX 0.00001 -0.00017 -0.00033 -0.00054 -0.00033 166 3PY 0.00000 -0.00005 0.00062 -0.00002 0.00023 167 3PZ 0.00000 -0.00007 0.00000 -0.00031 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00009 0.00001 -0.00001 178 18 H 1S 0.00000 0.00000 -0.00001 -0.00001 0.00000 179 2S 0.00001 -0.00009 -0.00061 -0.00045 -0.00017 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 181 2S 0.00001 -0.00017 -0.00012 -0.00003 -0.00126 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00002 -0.00001 0.00004 -0.00001 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00001 0.00001 0.00004 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00001 0.00005 0.00000 0.00007 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00001 0.00000 0.00000 51 52 53 54 55 51 3S 0.30240 52 3PX 0.00000 0.10751 53 3PY 0.00000 0.00000 0.05313 54 3PZ 0.00000 0.00000 0.00000 0.09326 55 4XX -0.00699 0.00000 0.00000 0.00000 0.00284 56 4YY -0.00001 0.00000 0.00000 0.00000 -0.00027 57 4ZZ -0.00197 0.00000 0.00000 0.00000 -0.00019 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 H 1S 0.00021 0.00010 -0.00008 0.00018 0.00000 62 2S 0.00239 -0.00042 -0.00054 0.00259 0.00009 63 6 H 1S 0.00006 0.00030 0.00000 0.00004 0.00000 64 2S -0.00031 0.00313 0.00032 -0.00042 -0.00009 65 7 O 1S 0.00128 0.00012 -0.00024 0.00040 -0.00006 66 2S -0.01942 -0.00292 0.00272 -0.00508 0.00138 67 2PX 0.00361 0.00059 0.00087 0.00354 -0.00096 68 2PY 0.00274 -0.00034 0.00416 0.00004 0.00096 69 2PZ 0.00548 0.00691 0.00110 -0.00136 0.00397 70 3S -0.06779 -0.00104 0.00117 -0.01271 0.00244 71 3PX 0.00144 -0.00163 0.00035 0.00188 -0.00195 72 3PY 0.00726 -0.00034 0.01064 0.00017 0.00147 73 3PZ 0.01220 0.00729 0.00218 -0.00724 0.00627 74 4XX 0.00209 -0.00128 0.00059 0.00141 -0.00007 75 4YY 0.00064 0.00000 -0.00021 0.00012 0.00010 76 4ZZ 0.00073 0.00114 0.00015 -0.00059 -0.00001 77 4XY 0.00019 0.00001 0.00021 0.00007 -0.00005 78 4XZ 0.00037 0.00001 0.00003 0.00008 0.00003 79 4YZ 0.00012 0.00021 0.00012 0.00001 0.00016 80 8 H 1S 0.05282 0.00177 0.01253 0.02524 -0.00145 81 2S 0.03771 -0.00039 0.01031 0.02355 -0.00256 82 9 H 1S -0.00418 0.00003 -0.00397 -0.00012 0.00000 83 2S -0.01561 -0.00006 -0.00811 0.00007 0.00023 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S -0.00005 -0.00017 -0.00002 0.00000 0.00000 86 2PX -0.00055 -0.00188 0.00051 -0.00014 0.00000 87 2PY -0.00007 -0.00021 0.00001 -0.00002 0.00000 88 2PZ -0.00003 -0.00012 0.00004 0.00020 0.00000 89 3S -0.00076 -0.00191 -0.00002 -0.00021 -0.00001 90 3PX -0.00413 -0.00956 0.00282 -0.00096 -0.00001 91 3PY -0.00081 -0.00165 0.00000 -0.00014 -0.00001 92 3PZ -0.00023 -0.00061 0.00017 0.00122 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 -0.00001 0.00001 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY -0.00001 0.00001 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00001 0.00004 0.00000 0.00000 0.00000 100 2S -0.00022 -0.00065 0.00000 -0.00006 0.00000 101 2PX -0.00141 -0.00046 -0.00001 -0.00019 0.00001 102 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 103 2PZ -0.00006 0.00001 0.00000 -0.00011 0.00000 104 3S -0.00022 0.00035 0.00000 0.00006 -0.00004 105 3PX -0.00786 -0.00258 -0.00002 -0.00044 0.00027 106 3PY 0.00001 0.00001 -0.00005 0.00000 0.00000 107 3PZ -0.00039 -0.00020 0.00000 0.00051 0.00003 108 4XX 0.00005 0.00034 0.00000 0.00003 0.00000 109 4YY -0.00002 -0.00007 0.00000 0.00000 0.00000 110 4ZZ 0.00000 -0.00009 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00016 0.00003 0.00000 0.00004 0.00000 115 2S -0.00065 -0.00040 -0.00033 0.00025 0.00003 116 2PX 0.00234 0.00812 0.00105 0.00632 0.00012 117 2PY 0.00090 0.00149 0.00026 0.00056 0.00002 118 2PZ -0.00066 0.00513 0.00060 0.00003 0.00006 119 3S 0.00126 0.00341 0.00015 0.00207 0.00056 120 3PX 0.00244 0.01261 0.00214 0.01154 0.00070 121 3PY 0.00172 0.00220 -0.00001 0.00088 0.00021 122 3PZ 0.00107 0.01182 0.00151 -0.00216 0.00048 123 4XX 0.00037 0.00046 0.00013 0.00026 -0.00001 124 4YY -0.00017 -0.00022 0.00000 -0.00007 0.00000 125 4ZZ -0.00001 0.00002 -0.00004 -0.00001 0.00000 126 4XY 0.00003 0.00005 0.00000 0.00005 0.00000 127 4XZ 0.00009 0.00022 0.00006 0.00001 0.00000 128 4YZ 0.00000 0.00004 0.00000 0.00000 0.00000 129 13 C 1S 0.00001 0.00002 0.00000 0.00004 0.00000 130 2S -0.00003 -0.00065 -0.00002 -0.00040 0.00000 131 2PX -0.00003 -0.00038 -0.00001 -0.00034 0.00000 132 2PY -0.00001 0.00000 -0.00002 0.00000 0.00000 133 2PZ 0.00044 -0.00139 -0.00005 -0.00007 0.00000 134 3S 0.00071 -0.00064 -0.00007 0.00099 0.00004 135 3PX -0.00008 -0.00045 -0.00004 -0.00007 0.00004 136 3PY 0.00000 0.00004 -0.00002 0.00005 0.00000 137 3PZ 0.00096 -0.00201 -0.00009 0.00026 -0.00011 138 4XX 0.00000 -0.00002 0.00000 -0.00006 0.00000 139 4YY -0.00002 -0.00004 0.00000 -0.00006 0.00000 140 4ZZ 0.00004 0.00017 0.00000 0.00016 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00002 0.00009 0.00000 0.00014 0.00000 143 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 144 14 C 1S 0.00000 0.00001 0.00000 0.00001 0.00000 145 2S -0.00017 -0.00011 -0.00002 -0.00033 0.00000 146 2PX 0.00000 0.00007 -0.00009 0.00003 0.00000 147 2PY -0.00002 -0.00012 0.00002 -0.00001 0.00000 148 2PZ -0.00038 -0.00016 -0.00014 -0.00046 0.00000 149 3S -0.00190 -0.00154 -0.00028 -0.00263 -0.00001 150 3PX 0.00017 0.00026 -0.00044 0.00062 0.00000 151 3PY -0.00011 -0.00060 0.00001 -0.00038 0.00000 152 3PZ -0.00170 -0.00095 -0.00014 -0.00168 0.00000 153 4XX 0.00001 0.00001 0.00000 0.00002 0.00000 154 4YY 0.00000 -0.00001 0.00001 -0.00001 0.00000 155 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00001 0.00000 0.00000 0.00001 0.00000 158 4YZ 0.00001 0.00000 0.00000 0.00001 0.00000 159 15 C 1S 0.00000 0.00001 -0.00001 0.00000 0.00000 160 2S -0.00020 -0.00046 0.00003 -0.00022 0.00000 161 2PX -0.00015 -0.00029 -0.00009 -0.00033 0.00000 162 2PY -0.00051 -0.00024 -0.00035 -0.00015 0.00000 163 2PZ 0.00013 -0.00025 0.00017 0.00000 0.00000 164 3S -0.00008 0.00010 -0.00080 0.00043 0.00001 165 3PX -0.00065 -0.00161 0.00022 -0.00177 -0.00002 166 3PY -0.00001 0.00159 -0.00060 0.00093 0.00002 167 3PZ 0.00038 -0.00078 -0.00008 -0.00006 -0.00001 168 4XX 0.00004 0.00010 -0.00008 0.00007 0.00000 169 4YY 0.00002 -0.00002 0.00003 -0.00001 0.00000 170 4ZZ -0.00002 -0.00004 0.00001 -0.00002 0.00000 171 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 172 4XZ 0.00001 0.00001 -0.00001 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S -0.00007 -0.00003 -0.00001 0.00004 0.00000 176 17 H 1S 0.00001 0.00001 0.00000 -0.00002 0.00000 177 2S 0.00027 0.00048 0.00001 -0.00021 0.00000 178 18 H 1S -0.00055 -0.00060 0.00020 -0.00018 0.00000 179 2S -0.00323 -0.00284 0.00072 -0.00110 -0.00002 180 19 H 1S -0.00007 -0.00022 -0.00006 -0.00067 0.00000 181 2S -0.00144 -0.00105 -0.00020 -0.00525 -0.00007 182 20 H 1S 0.00000 0.00002 -0.00004 0.00001 0.00000 183 2S 0.00028 0.00011 0.00013 0.00001 0.00000 184 21 H 1S 0.00001 -0.00001 0.00003 0.00000 0.00000 185 2S 0.00040 0.00008 0.00045 0.00007 0.00000 186 22 H 1S 0.00000 0.00004 0.00000 0.00002 0.00000 187 2S 0.00004 0.00100 0.00008 0.00076 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00012 0.00003 0.00003 0.00015 0.00000 56 57 58 59 60 56 4YY 0.00124 57 4ZZ -0.00008 0.00166 58 4XY 0.00000 0.00000 0.00146 59 4XZ 0.00000 0.00000 0.00000 0.00147 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00192 61 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00016 -0.00001 -0.00003 0.00001 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S 0.00001 0.00003 0.00000 0.00001 -0.00001 65 7 O 1S 0.00001 0.00000 -0.00005 -0.00008 -0.00003 66 2S -0.00019 0.00007 0.00089 0.00157 0.00056 67 2PX -0.00048 0.00157 0.00038 0.00289 0.00116 68 2PY 0.00017 0.00023 0.00025 0.00116 0.00016 69 2PZ -0.00031 -0.00055 0.00125 0.00026 -0.00003 70 3S -0.00007 -0.00012 0.00096 0.00101 0.00085 71 3PX -0.00143 0.00390 0.00001 0.00088 0.00070 72 3PY -0.00054 0.00045 0.00071 0.00076 0.00045 73 3PZ -0.00099 -0.00197 0.00073 -0.00001 0.00002 74 4XX -0.00001 0.00008 0.00004 0.00005 -0.00001 75 4YY -0.00004 0.00002 0.00002 0.00009 0.00001 76 4ZZ 0.00001 -0.00001 0.00000 -0.00002 -0.00001 77 4XY 0.00001 0.00004 0.00000 0.00013 -0.00003 78 4XZ -0.00003 -0.00001 0.00003 0.00005 0.00000 79 4YZ 0.00000 -0.00003 -0.00002 0.00001 0.00000 80 8 H 1S -0.00033 0.00234 0.00041 0.00023 0.00377 81 2S -0.00044 0.00314 0.00010 0.00003 0.00064 82 9 H 1S 0.00001 0.00000 0.00000 0.00000 0.00004 83 2S -0.00027 0.00027 0.00001 0.00001 0.00022 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00001 0.00000 0.00000 0.00000 90 3PX -0.00001 0.00003 -0.00001 -0.00001 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00001 0.00001 0.00000 0.00000 0.00000 105 3PX -0.00003 -0.00001 0.00000 0.00002 0.00000 106 3PY 0.00000 0.00000 -0.00002 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00001 0.00002 0.00001 116 2PX -0.00001 -0.00003 0.00002 0.00007 0.00001 117 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 118 2PZ 0.00000 -0.00001 0.00001 0.00001 0.00000 119 3S -0.00011 -0.00023 -0.00001 0.00006 0.00000 120 3PX -0.00015 -0.00026 0.00006 0.00018 0.00007 121 3PY -0.00003 -0.00012 0.00004 0.00002 0.00001 122 3PZ -0.00009 -0.00012 0.00003 0.00001 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S -0.00002 0.00001 0.00000 0.00002 0.00000 135 3PX -0.00001 -0.00003 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 137 3PZ 0.00000 0.00015 0.00000 0.00002 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00002 0.00000 -0.00001 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ -0.00001 0.00002 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00001 -0.00001 0.00001 0.00000 0.00001 165 3PX 0.00000 0.00001 0.00007 -0.00002 0.00005 166 3PY 0.00001 -0.00002 0.00002 0.00001 0.00001 167 3PZ 0.00000 0.00000 0.00004 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00005 -0.00001 0.00000 0.00000 0.00001 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00002 0.00011 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 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 H 1S 0.22401 62 2S 0.12138 0.19878 63 6 H 1S -0.00073 -0.01284 0.22350 64 2S -0.01185 -0.04733 0.11454 0.16572 65 7 O 1S 0.00000 0.00005 0.00000 0.00006 2.07557 66 2S -0.00004 -0.00073 -0.00005 -0.00107 -0.04159 67 2PX 0.00002 0.00089 -0.00023 -0.00553 0.00000 68 2PY -0.00003 -0.00090 -0.00003 -0.00102 0.00000 69 2PZ -0.00026 -0.00755 0.00003 0.00091 0.00000 70 3S -0.00186 -0.00585 -0.00165 -0.00220 -0.04102 71 3PX 0.00062 0.00419 -0.00522 -0.02178 0.00000 72 3PY -0.00064 -0.00312 -0.00040 -0.00266 0.00000 73 3PZ -0.00614 -0.03002 0.00076 0.00434 0.00000 74 4XX -0.00001 -0.00022 0.00010 0.00072 -0.00051 75 4YY 0.00000 -0.00014 0.00000 -0.00028 -0.00042 76 4ZZ 0.00009 0.00078 -0.00001 -0.00023 -0.00047 77 4XY 0.00000 0.00002 0.00003 -0.00009 0.00000 78 4XZ 0.00001 0.00003 0.00001 0.00002 0.00000 79 4YZ 0.00003 -0.00016 0.00000 0.00001 0.00000 80 8 H 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 81 2S -0.00001 -0.00038 0.00000 0.00008 0.00016 82 9 H 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 83 2S -0.00001 -0.00038 0.00000 0.00008 0.00000 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 90 3PX 0.00000 -0.00005 0.00000 0.00001 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 105 3PX 0.00000 -0.00005 0.00000 0.00001 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00003 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 119 3S 0.00001 0.00037 0.00000 -0.00003 0.00000 120 3PX 0.00001 0.00025 0.00000 -0.00003 -0.00001 121 3PY 0.00001 0.00025 0.00000 -0.00002 0.00000 122 3PZ 0.00000 -0.00019 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 -0.00002 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00018 0.00000 0.00000 0.00000 132 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S -0.00008 -0.00056 0.00000 0.00002 0.00000 135 3PX -0.00006 0.00109 0.00000 0.00001 0.00000 136 3PY 0.00000 -0.00010 0.00000 0.00001 0.00000 137 3PZ 0.00000 0.00006 0.00000 0.00002 0.00000 138 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 -0.00002 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00018 0.00000 0.00000 0.00000 147 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S -0.00008 -0.00056 0.00000 0.00002 0.00000 150 3PX -0.00006 0.00109 0.00000 0.00001 0.00000 151 3PY 0.00000 -0.00010 0.00000 0.00001 0.00000 152 3PZ 0.00000 0.00006 0.00000 0.00002 0.00000 153 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00003 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 164 3S 0.00001 0.00037 0.00000 -0.00003 0.00000 165 3PX 0.00001 0.00025 0.00000 -0.00003 0.00000 166 3PY 0.00001 0.00025 0.00000 -0.00002 0.00000 167 3PZ 0.00000 -0.00019 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00001 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00030 0.00000 0.00001 0.00000 181 2S -0.00038 -0.00172 0.00001 0.00025 -0.00001 182 20 H 1S 0.00000 0.00030 0.00000 0.00001 0.00000 183 2S -0.00038 -0.00172 0.00001 0.00025 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00001 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00008 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 66 67 68 69 70 66 2S 0.50359 67 2PX 0.00000 0.64791 68 2PY 0.00000 0.00000 0.66560 69 2PZ 0.00000 0.00000 0.00000 0.71652 70 3S 0.45246 0.00000 0.00000 0.00000 0.75618 71 3PX 0.00000 0.20361 0.00000 0.00000 0.00000 72 3PY 0.00000 0.00000 0.21181 0.00000 0.00000 73 3PZ 0.00000 0.00000 0.00000 0.23212 0.00000 74 4XX -0.00156 0.00000 0.00000 0.00000 -0.00294 75 4YY -0.00456 0.00000 0.00000 0.00000 -0.01283 76 4ZZ -0.00299 0.00000 0.00000 0.00000 -0.00451 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 H 1S -0.00006 -0.00004 -0.00001 -0.00014 -0.00308 81 2S -0.00225 -0.00058 -0.00012 -0.00325 -0.01369 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 83 2S 0.00003 0.00010 0.00014 -0.00001 0.00029 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00000 0.00000 0.00000 0.00002 90 3PX 0.00000 0.00001 0.00000 0.00000 0.00006 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 92 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00001 0.00000 0.00000 0.00024 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 107 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 -0.00001 0.00000 0.00000 -0.00009 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 119 3S 0.00004 -0.00039 -0.00002 -0.00005 0.00004 120 3PX 0.00008 -0.00078 0.00002 -0.00006 0.00079 121 3PY 0.00001 -0.00007 0.00001 -0.00001 0.00005 122 3PZ -0.00002 -0.00008 0.00000 0.00011 -0.00007 123 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 131 2PX 0.00000 0.00000 0.00000 0.00000 -0.00010 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00004 134 3S -0.00009 -0.00006 0.00002 -0.00006 -0.00078 135 3PX -0.00007 -0.00019 0.00004 -0.00031 -0.00100 136 3PY -0.00001 -0.00004 -0.00002 -0.00004 -0.00007 137 3PZ 0.00001 0.00028 -0.00002 0.00019 -0.00014 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00002 0.00000 0.00001 0.00006 150 3PX 0.00000 -0.00001 -0.00002 0.00002 -0.00005 151 3PY 0.00000 -0.00002 0.00000 -0.00001 -0.00001 152 3PZ 0.00000 0.00000 0.00001 0.00000 0.00012 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 -0.00007 165 3PX 0.00000 0.00001 0.00001 0.00000 -0.00005 166 3PY -0.00001 -0.00001 0.00000 0.00000 -0.00008 167 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00002 0.00000 0.00002 0.00000 0.00026 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00014 181 2S 0.00014 0.00058 0.00001 0.00128 0.00092 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00001 -0.00001 0.00001 -0.00001 0.00016 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 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 0.00004 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 71 72 73 74 75 71 3PX 0.26578 72 3PY 0.00000 0.26979 73 3PZ 0.00000 0.00000 0.30851 74 4XX 0.00000 0.00000 0.00000 0.00104 75 4YY 0.00000 0.00000 0.00000 -0.00011 0.00294 76 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00008 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 H 1S -0.00017 -0.00010 -0.00288 0.00003 0.00000 81 2S 0.00034 -0.00030 -0.01157 0.00011 0.00015 82 9 H 1S 0.00002 0.00003 0.00000 0.00000 0.00000 83 2S 0.00085 0.00122 -0.00018 0.00000 0.00002 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00004 0.00001 0.00000 0.00000 0.00000 90 3PX 0.00032 0.00002 -0.00004 0.00000 0.00000 91 3PY 0.00005 0.00000 0.00000 0.00000 0.00000 92 3PZ -0.00003 0.00001 -0.00001 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00008 -0.00002 -0.00003 0.00000 0.00000 105 3PX 0.00030 -0.00003 -0.00005 -0.00001 0.00000 106 3PY 0.00004 0.00001 0.00000 0.00000 0.00000 107 3PZ 0.00002 0.00000 0.00003 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S -0.00011 0.00000 -0.00001 0.00000 0.00000 116 2PX -0.00099 -0.00001 -0.00009 0.00000 0.00000 117 2PY -0.00002 0.00000 0.00000 0.00000 0.00000 118 2PZ -0.00003 0.00000 0.00005 0.00000 0.00000 119 3S -0.00341 -0.00013 -0.00044 -0.00002 0.00002 120 3PX -0.00509 0.00011 -0.00047 0.00010 -0.00003 121 3PY -0.00042 0.00010 -0.00005 0.00000 0.00000 122 3PZ -0.00053 -0.00002 0.00119 0.00001 0.00000 123 4XX 0.00003 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S -0.00005 0.00000 -0.00002 0.00000 0.00000 131 2PX -0.00014 0.00000 -0.00010 0.00000 0.00000 132 2PY -0.00001 0.00000 -0.00001 0.00000 0.00000 133 2PZ -0.00005 -0.00001 0.00002 0.00000 0.00000 134 3S -0.00049 0.00015 -0.00046 -0.00001 0.00001 135 3PX -0.00116 0.00019 -0.00169 -0.00001 0.00002 136 3PY -0.00027 -0.00015 -0.00024 -0.00001 0.00000 137 3PZ 0.00167 -0.00013 0.00090 0.00002 -0.00001 138 4XX 0.00001 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ -0.00001 0.00000 -0.00001 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00001 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 149 3S 0.00035 -0.00004 0.00015 0.00000 0.00000 150 3PX -0.00009 -0.00024 0.00012 0.00000 0.00000 151 3PY -0.00017 -0.00002 -0.00007 0.00000 0.00000 152 3PZ 0.00008 0.00010 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S -0.00007 -0.00007 -0.00001 0.00000 0.00000 165 3PX 0.00013 0.00009 0.00000 0.00000 0.00000 166 3PY -0.00022 -0.00003 -0.00002 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00002 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S -0.00001 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00011 0.00012 0.00001 -0.00001 0.00000 180 19 H 1S 0.00000 0.00000 -0.00002 0.00000 0.00000 181 2S 0.00353 0.00007 0.00671 0.00000 -0.00008 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S -0.00013 0.00017 -0.00008 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S -0.00001 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 -0.00002 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00001 0.00000 -0.00001 0.00000 0.00000 76 77 78 79 80 76 4ZZ 0.00079 77 4XY 0.00000 0.00161 78 4XZ 0.00000 0.00000 0.00045 79 4YZ 0.00000 0.00000 0.00000 0.00151 80 8 H 1S 0.00008 0.00001 0.00006 0.00001 0.21549 81 2S 0.00047 0.00002 0.00007 0.00004 0.10062 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S -0.00001 0.00000 0.00000 -0.00001 -0.00015 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00000 0.00000 0.00000 0.00002 90 3PX 0.00000 0.00000 0.00000 0.00000 0.00006 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00002 92 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 -0.00008 105 3PX 0.00000 0.00000 0.00000 0.00000 -0.00081 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00003 107 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00026 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 116 2PX 0.00000 0.00000 0.00000 0.00000 -0.00005 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00004 119 3S 0.00000 0.00000 0.00000 0.00000 -0.00059 120 3PX -0.00005 0.00001 0.00000 0.00000 -0.00157 121 3PY 0.00000 -0.00001 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00084 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00001 0.00000 -0.00001 135 3PX 0.00001 0.00000 0.00002 -0.00001 -0.00002 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00001 0.00000 0.00002 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00004 166 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00002 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 -0.00011 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00005 0.00000 0.00004 0.00000 0.00003 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 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 81 82 83 84 85 81 2S 0.12396 82 9 H 1S -0.00015 0.21549 83 2S 0.00011 0.10062 0.12396 84 10 C 1S 0.00000 0.00000 0.00000 2.05271 85 2S 0.00000 0.00000 -0.00003 -0.01361 0.32496 86 2PX 0.00011 -0.00001 -0.00048 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00002 0.00000 0.00000 88 2PZ 0.00003 0.00000 -0.00005 0.00000 0.00000 89 3S 0.00017 -0.00008 -0.00017 -0.02960 0.20116 90 3PX 0.00120 -0.00081 -0.00194 0.00000 0.00000 91 3PY 0.00023 0.00003 0.00021 0.00000 0.00000 92 3PZ 0.00028 -0.00026 -0.00063 0.00000 0.00000 93 4XX 0.00000 0.00000 -0.00004 -0.00113 -0.00672 94 4YY 0.00000 0.00000 0.00000 -0.00134 -0.00219 95 4ZZ 0.00000 0.00000 0.00002 -0.00127 -0.00380 96 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00047 100 2S -0.00003 0.00000 0.00000 -0.00047 0.00970 101 2PX -0.00048 0.00000 0.00011 0.00000 0.00000 102 2PY 0.00002 0.00000 0.00000 -0.00258 0.04008 103 2PZ -0.00005 0.00000 0.00003 0.00000 0.00000 104 3S -0.00017 0.00002 0.00017 -0.00027 0.01148 105 3PX -0.00194 0.00006 0.00120 0.00000 0.00000 106 3PY 0.00021 0.00002 0.00023 -0.00172 0.02369 107 3PZ -0.00063 0.00000 0.00028 0.00000 0.00000 108 4XX -0.00004 0.00000 0.00000 0.00000 -0.00042 109 4YY 0.00000 0.00000 0.00000 -0.00026 0.00362 110 4ZZ 0.00002 0.00000 0.00000 0.00000 -0.00047 111 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00003 0.00000 0.00000 0.00000 0.00000 115 2S -0.00065 0.00000 0.00002 0.00000 -0.00009 116 2PX -0.00108 0.00000 0.00003 0.00000 -0.00011 117 2PY 0.00000 0.00000 0.00003 0.00000 -0.00024 118 2PZ -0.00122 0.00000 0.00003 0.00000 -0.00005 119 3S -0.00383 0.00000 0.00009 0.00004 -0.00122 120 3PX -0.00490 0.00004 0.00051 0.00004 -0.00090 121 3PY -0.00003 -0.00001 -0.00013 0.00006 -0.00155 122 3PZ -0.00395 0.00002 0.00041 0.00003 -0.00048 123 4XX 0.00006 0.00000 0.00000 0.00000 0.00000 124 4YY -0.00002 0.00000 0.00000 0.00000 0.00003 125 4ZZ 0.00003 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 127 4XZ 0.00002 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00002 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00004 0.00000 0.00000 0.00000 -0.00001 134 3S -0.00002 0.00000 0.00014 0.00002 -0.00039 135 3PX -0.00010 0.00000 -0.00002 0.00000 -0.00005 136 3PY 0.00003 0.00000 0.00008 0.00001 -0.00022 137 3PZ 0.00049 0.00000 0.00006 0.00002 -0.00032 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00002 0.00000 -0.00004 146 2PX 0.00000 0.00000 0.00001 0.00000 -0.00007 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00004 0.00000 -0.00017 149 3S 0.00014 -0.00001 -0.00002 0.00004 -0.00076 150 3PX -0.00002 -0.00002 -0.00010 0.00004 -0.00064 151 3PY 0.00008 0.00000 0.00003 0.00000 0.00004 152 3PZ 0.00006 0.00002 0.00049 0.00012 -0.00216 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00003 0.00000 -0.00058 160 2S 0.00002 -0.00002 -0.00065 -0.00054 0.01134 161 2PX 0.00003 -0.00005 -0.00108 -0.00132 0.02021 162 2PY 0.00003 0.00000 0.00000 -0.00067 0.00937 163 2PZ 0.00003 -0.00004 -0.00122 -0.00092 0.01358 164 3S 0.00009 -0.00059 -0.00382 -0.00055 0.01143 165 3PX 0.00051 -0.00157 -0.00490 -0.00102 0.01276 166 3PY -0.00013 0.00000 -0.00003 -0.00059 0.00676 167 3PZ 0.00041 -0.00084 -0.00395 -0.00032 0.00386 168 4XX 0.00000 0.00000 0.00006 -0.00004 0.00057 169 4YY 0.00000 0.00000 -0.00002 0.00002 -0.00045 170 4ZZ 0.00000 0.00000 0.00003 0.00000 -0.00019 171 4XY 0.00000 0.00000 0.00000 -0.00008 0.00083 172 4XZ 0.00000 0.00000 0.00002 -0.00011 0.00116 173 4YZ 0.00000 0.00000 0.00000 -0.00006 0.00065 174 16 H 1S 0.00000 0.00000 0.00003 -0.00198 0.03084 175 2S 0.00002 0.00000 0.00027 -0.00120 0.01190 176 17 H 1S 0.00003 0.00000 0.00000 0.00000 -0.00017 177 2S 0.00027 0.00000 0.00002 0.00019 -0.00265 178 18 H 1S -0.00011 0.00000 0.00000 0.00000 0.00000 179 2S -0.00016 0.00000 -0.00003 0.00000 0.00013 180 19 H 1S 0.00001 0.00000 0.00000 0.00000 0.00000 181 2S 0.00048 0.00000 -0.00005 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00001 0.00000 0.00000 183 2S -0.00005 0.00003 0.00048 0.00000 0.00015 184 21 H 1S 0.00000 0.00000 -0.00011 0.00000 -0.00019 185 2S -0.00003 -0.00011 -0.00016 0.00019 -0.00267 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00006 0.00000 0.00000 0.00000 0.00001 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 -0.00006 0.00000 -0.00006 86 87 88 89 90 86 2PX 0.36897 87 2PY 0.00000 0.41336 88 2PZ 0.00000 0.00000 0.39022 89 3S 0.00000 0.00000 0.00000 0.25008 90 3PX 0.10335 0.00000 0.00000 0.00000 0.11998 91 3PY 0.00000 0.07886 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.09568 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 -0.00354 0.00000 94 4YY 0.00000 0.00000 0.00000 -0.00196 0.00000 95 4ZZ 0.00000 0.00000 0.00000 -0.00155 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 -0.00258 0.00000 -0.00027 0.00000 100 2S 0.00000 0.04008 0.00000 0.01148 0.00000 101 2PX 0.01116 0.00000 0.00000 0.00000 0.01910 102 2PY 0.00000 0.09681 0.00000 0.03098 0.00000 103 2PZ 0.00000 0.00000 0.00839 0.00000 0.00000 104 3S 0.00000 0.03098 0.00000 -0.00963 0.00000 105 3PX 0.01910 0.00000 0.00000 0.00000 0.02602 106 3PY 0.00000 0.01764 0.00000 0.00844 0.00000 107 3PZ 0.00000 0.00000 0.01655 0.00000 0.00000 108 4XX 0.00000 -0.00106 0.00000 -0.00148 0.00000 109 4YY 0.00000 0.00223 0.00000 0.00401 0.00000 110 4ZZ 0.00000 -0.00112 0.00000 -0.00135 0.00000 111 4XY 0.00201 0.00000 0.00000 0.00000 0.00097 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00210 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 -0.00002 -0.00006 115 2S -0.00001 -0.00030 -0.00005 -0.00118 0.00040 116 2PX 0.00001 -0.00025 -0.00008 0.00136 -0.00041 117 2PY -0.00002 -0.00053 -0.00005 -0.00557 -0.00006 118 2PZ -0.00006 -0.00010 0.00000 0.00025 -0.00025 119 3S -0.00102 -0.00147 -0.00108 -0.00157 -0.00090 120 3PX -0.00004 -0.00124 -0.00095 0.00466 -0.00292 121 3PY -0.00010 0.00064 -0.00066 -0.00670 0.00027 122 3PZ -0.00104 -0.00151 -0.00021 -0.00143 -0.00242 123 4XX -0.00001 -0.00001 0.00001 -0.00002 -0.00013 124 4YY 0.00001 0.00014 0.00000 0.00046 0.00005 125 4ZZ 0.00001 -0.00001 0.00000 -0.00017 0.00010 126 4XY 0.00000 0.00006 0.00001 0.00008 0.00000 127 4XZ 0.00000 -0.00001 0.00000 -0.00002 -0.00001 128 4YZ 0.00001 0.00004 0.00000 0.00005 0.00005 129 13 C 1S 0.00000 0.00000 0.00000 0.00001 0.00000 130 2S 0.00000 0.00000 -0.00001 -0.00036 0.00006 131 2PX 0.00000 0.00000 -0.00001 -0.00014 0.00004 132 2PY -0.00002 0.00001 0.00000 -0.00023 -0.00038 133 2PZ 0.00001 -0.00002 -0.00002 -0.00137 -0.00006 134 3S -0.00025 -0.00036 -0.00016 -0.00468 -0.00148 135 3PX 0.00000 -0.00003 -0.00005 -0.00064 0.00000 136 3PY -0.00053 0.00010 0.00006 -0.00149 -0.00158 137 3PZ 0.00017 -0.00075 -0.00016 -0.00522 -0.00028 138 4XX 0.00000 0.00000 0.00000 0.00004 0.00001 139 4YY 0.00000 0.00000 0.00000 0.00001 0.00001 140 4ZZ 0.00000 0.00000 0.00000 -0.00005 -0.00002 141 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 143 4YZ 0.00000 0.00000 0.00000 0.00001 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00002 0.00001 145 2S -0.00005 0.00000 -0.00015 -0.00042 0.00002 146 2PX 0.00000 0.00000 -0.00022 -0.00082 0.00015 147 2PY 0.00000 0.00000 0.00000 -0.00002 -0.00002 148 2PZ -0.00033 0.00000 -0.00022 -0.00011 -0.00079 149 3S 0.00005 0.00002 -0.00378 0.00248 0.00384 150 3PX 0.00002 -0.00002 -0.00115 -0.00096 0.00004 151 3PY 0.00002 0.00013 0.00009 0.00009 -0.00003 152 3PZ -0.00313 0.00004 -0.00217 0.00150 -0.00198 153 4XX 0.00000 0.00000 0.00002 0.00006 -0.00008 154 4YY 0.00000 0.00000 0.00000 -0.00007 -0.00007 155 4ZZ 0.00004 0.00000 -0.00001 0.00005 0.00033 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ -0.00001 0.00000 0.00008 0.00006 -0.00006 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S -0.00143 -0.00062 -0.00090 0.00070 -0.00061 160 2S 0.02093 0.00936 0.01262 0.00574 0.01223 161 2PX -0.00057 0.01792 0.03914 0.00749 0.00367 162 2PY 0.01826 -0.00036 0.00746 0.01238 0.00805 163 2PZ 0.03416 0.00933 0.00059 0.00721 0.01436 164 3S 0.02145 0.00591 0.01306 -0.01474 0.01146 165 3PX 0.00242 0.00817 0.02060 -0.00313 0.01823 166 3PY 0.00702 -0.00073 0.00274 0.00541 0.00359 167 3PZ 0.01528 0.00376 0.00259 0.00232 0.01266 168 4XX -0.00099 0.00080 0.00133 0.00123 -0.00161 169 4YY -0.00024 -0.00025 -0.00019 -0.00158 -0.00022 170 4ZZ 0.00034 0.00013 -0.00071 0.00062 0.00152 171 4XY 0.00030 -0.00003 0.00116 0.00021 0.00001 172 4XZ 0.00034 0.00095 0.00003 0.00039 -0.00002 173 4YZ 0.00116 -0.00001 0.00009 0.00020 0.00018 174 16 H 1S 0.02437 0.02405 0.04947 0.04347 0.00828 175 2S 0.01602 0.01555 0.03424 0.03825 0.00517 176 17 H 1S -0.00007 -0.00057 -0.00007 -0.00417 0.00012 177 2S -0.00091 -0.00840 -0.00152 -0.01699 0.00059 178 18 H 1S 0.00000 0.00000 0.00000 0.00015 0.00000 179 2S 0.00003 0.00051 0.00001 0.00219 0.00018 180 19 H 1S 0.00000 0.00000 0.00000 0.00001 0.00001 181 2S 0.00001 0.00001 -0.00001 0.00036 0.00036 182 20 H 1S 0.00000 0.00000 0.00000 0.00005 -0.00005 183 2S -0.00001 0.00002 0.00041 0.00079 -0.00100 184 21 H 1S -0.00019 -0.00047 -0.00007 -0.00450 -0.00158 185 2S -0.00255 -0.00651 -0.00039 -0.01535 -0.00581 186 22 H 1S 0.00000 0.00000 0.00000 0.00004 0.00000 187 2S -0.00002 -0.00001 0.00010 0.00052 -0.00015 188 23 H 1S 0.00000 0.00000 -0.00001 -0.00011 0.00013 189 2S 0.00013 0.00000 -0.00054 -0.00081 0.00059 91 92 93 94 95 91 3PY 0.06236 92 3PZ 0.00000 0.09329 93 4XX 0.00000 0.00000 0.00092 94 4YY 0.00000 0.00000 -0.00008 0.00114 95 4ZZ 0.00000 0.00000 0.00007 -0.00006 0.00089 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S -0.00172 0.00000 0.00000 -0.00026 0.00000 100 2S 0.02369 0.00000 -0.00042 0.00362 -0.00047 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.01764 0.00000 -0.00106 0.00223 -0.00112 103 2PZ 0.00000 0.01655 0.00000 0.00000 0.00000 104 3S 0.00844 0.00000 -0.00148 0.00401 -0.00135 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00146 0.00000 -0.00163 0.00113 -0.00110 107 3PZ 0.00000 0.02467 0.00000 0.00000 0.00000 108 4XX -0.00163 0.00000 0.00001 -0.00004 0.00001 109 4YY 0.00113 0.00000 -0.00004 -0.00008 -0.00004 110 4ZZ -0.00110 0.00000 0.00001 -0.00004 0.00002 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00084 0.00000 0.00000 0.00000 114 12 C 1S 0.00010 -0.00004 0.00000 0.00000 0.00000 115 2S -0.00274 -0.00007 0.00000 0.00002 0.00000 116 2PX 0.00143 0.00025 0.00000 0.00001 0.00000 117 2PY -0.00579 0.00006 0.00000 0.00006 0.00000 118 2PZ -0.00045 -0.00044 0.00000 0.00002 0.00000 119 3S -0.00347 -0.00043 0.00000 0.00009 0.00005 120 3PX 0.00394 -0.00051 0.00010 -0.00006 -0.00002 121 3PY -0.00164 -0.00011 0.00004 0.00012 0.00000 122 3PZ -0.00328 -0.00241 -0.00007 0.00006 0.00005 123 4XX -0.00004 0.00017 0.00000 0.00000 0.00000 124 4YY 0.00070 -0.00004 0.00000 0.00000 0.00000 125 4ZZ -0.00027 -0.00007 0.00000 0.00000 0.00000 126 4XY 0.00010 0.00004 0.00000 0.00000 0.00000 127 4XZ -0.00001 0.00001 0.00000 0.00000 0.00000 128 4YZ 0.00006 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00001 0.00001 0.00000 0.00000 0.00000 130 2S -0.00018 -0.00042 0.00000 0.00000 0.00000 131 2PX -0.00033 -0.00003 0.00000 0.00000 0.00000 132 2PY 0.00008 0.00010 0.00000 0.00000 0.00000 133 2PZ -0.00076 -0.00117 0.00000 0.00000 0.00000 134 3S -0.00260 -0.00055 -0.00002 0.00003 0.00003 135 3PX -0.00082 0.00000 -0.00001 0.00000 0.00001 136 3PY 0.00001 0.00079 -0.00003 0.00004 -0.00002 137 3PZ -0.00249 -0.00211 0.00001 -0.00002 0.00003 138 4XX 0.00003 0.00004 0.00000 0.00000 0.00000 139 4YY 0.00003 -0.00005 0.00000 0.00000 0.00000 140 4ZZ -0.00009 0.00001 0.00000 0.00000 0.00000 141 4XY 0.00001 -0.00001 0.00000 0.00000 0.00000 142 4XZ 0.00001 -0.00002 0.00000 0.00000 0.00000 143 4YZ 0.00001 0.00003 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00012 0.00000 0.00000 0.00000 145 2S -0.00003 -0.00177 0.00000 0.00000 0.00001 146 2PX -0.00008 -0.00219 0.00000 0.00000 0.00002 147 2PY 0.00019 0.00001 0.00000 0.00000 0.00000 148 2PZ -0.00014 0.00070 0.00001 0.00000 0.00006 149 3S -0.00019 -0.00950 0.00010 -0.00012 0.00019 150 3PX -0.00014 -0.00300 0.00000 -0.00003 0.00015 151 3PY 0.00105 0.00013 0.00000 0.00000 -0.00001 152 3PZ -0.00016 0.00127 0.00004 -0.00015 0.00050 153 4XX 0.00001 0.00026 0.00000 0.00000 0.00000 154 4YY 0.00000 -0.00002 0.00000 0.00000 0.00000 155 4ZZ -0.00001 -0.00022 0.00000 0.00000 0.00000 156 4XY -0.00002 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00001 0.00029 0.00000 0.00000 0.00000 158 4YZ -0.00005 0.00000 0.00000 0.00000 0.00000 159 15 C 1S -0.00036 0.00035 -0.00003 0.00001 0.00000 160 2S 0.00249 0.00196 0.00050 -0.00046 0.00001 161 2PX 0.01210 0.01594 -0.00076 -0.00034 0.00041 162 2PY 0.00131 0.00065 0.00066 -0.00027 0.00025 163 2PZ 0.00369 0.00349 0.00099 -0.00033 -0.00055 164 3S 0.00031 0.00070 0.00113 -0.00076 -0.00044 165 3PX 0.01058 0.01516 -0.00122 0.00008 0.00087 166 3PY 0.00090 -0.00047 0.00038 -0.00056 -0.00013 167 3PZ -0.00004 0.01140 0.00142 -0.00054 -0.00080 168 4XX 0.00080 0.00174 -0.00002 -0.00003 0.00002 169 4YY -0.00043 -0.00022 -0.00004 0.00004 -0.00006 170 4ZZ -0.00031 -0.00113 0.00005 -0.00005 0.00002 171 4XY 0.00000 0.00013 -0.00003 0.00000 -0.00005 172 4XZ 0.00016 0.00002 -0.00001 -0.00005 0.00001 173 4YZ -0.00002 0.00003 0.00000 0.00000 -0.00002 174 16 H 1S 0.01000 0.02191 -0.00039 -0.00082 0.00160 175 2S 0.00740 0.02134 0.00026 -0.00135 0.00254 176 17 H 1S -0.00334 0.00019 0.00000 0.00002 0.00000 177 2S -0.01421 -0.00033 0.00011 -0.00017 0.00014 178 18 H 1S 0.00033 0.00000 0.00000 0.00000 0.00000 179 2S 0.00392 -0.00004 0.00000 -0.00001 -0.00001 180 19 H 1S 0.00002 0.00000 0.00000 0.00000 0.00000 181 2S 0.00040 -0.00009 0.00000 0.00000 0.00000 182 20 H 1S 0.00005 0.00015 0.00000 0.00000 0.00000 183 2S 0.00047 0.00247 -0.00001 0.00000 -0.00001 184 21 H 1S -0.00036 -0.00043 -0.00001 0.00009 -0.00001 185 2S -0.00203 -0.00017 -0.00026 0.00097 -0.00025 186 22 H 1S -0.00002 0.00010 0.00000 0.00000 0.00000 187 2S -0.00030 0.00142 0.00000 0.00000 0.00000 188 23 H 1S -0.00002 -0.00096 0.00000 0.00000 0.00000 189 2S -0.00011 -0.00405 0.00002 0.00000 -0.00004 96 97 98 99 100 96 4XY 0.00095 97 4XZ 0.00000 0.00067 98 4YZ 0.00000 0.00000 0.00117 99 11 C 1S 0.00000 0.00000 0.00000 2.05271 100 2S 0.00000 0.00000 0.00000 -0.01361 0.32496 101 2PX 0.00201 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00210 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 -0.02961 0.20116 105 3PX 0.00097 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00084 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 -0.00113 -0.00672 109 4YY 0.00000 0.00000 0.00000 -0.00134 -0.00218 110 4ZZ 0.00000 0.00000 0.00000 -0.00127 -0.00380 111 4XY -0.00012 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 -0.00022 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00058 115 2S 0.00002 0.00000 0.00001 -0.00054 0.01134 116 2PX 0.00000 0.00000 0.00005 -0.00132 0.02022 117 2PY 0.00006 0.00000 0.00002 -0.00067 0.00936 118 2PZ 0.00004 0.00000 0.00000 -0.00092 0.01358 119 3S 0.00014 0.00000 0.00009 -0.00055 0.01143 120 3PX 0.00001 0.00000 0.00018 -0.00102 0.01277 121 3PY 0.00014 0.00001 0.00006 -0.00059 0.00675 122 3PZ 0.00012 0.00000 0.00002 -0.00032 0.00387 123 4XX 0.00000 0.00000 0.00000 -0.00004 0.00057 124 4YY 0.00000 0.00000 0.00000 0.00002 -0.00045 125 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00019 126 4XY 0.00000 0.00000 0.00000 -0.00008 0.00083 127 4XZ 0.00000 0.00000 0.00000 -0.00011 0.00116 128 4YZ 0.00000 0.00000 0.00000 -0.00006 0.00065 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 -0.00004 131 2PX 0.00000 0.00000 0.00000 0.00000 -0.00007 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00017 134 3S 0.00000 -0.00001 -0.00004 0.00004 -0.00076 135 3PX 0.00000 0.00000 -0.00001 0.00004 -0.00064 136 3PY 0.00000 -0.00002 0.00001 0.00000 0.00004 137 3PZ -0.00003 0.00000 -0.00001 0.00012 -0.00216 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00001 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00005 0.00000 0.00000 -0.00001 149 3S 0.00000 0.00008 -0.00001 0.00002 -0.00039 150 3PX 0.00000 0.00001 0.00000 0.00000 -0.00005 151 3PY -0.00003 0.00000 -0.00001 0.00001 -0.00022 152 3PZ -0.00001 0.00018 0.00000 0.00002 -0.00032 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S -0.00008 -0.00009 -0.00007 0.00000 0.00000 160 2S 0.00083 0.00096 0.00068 0.00000 -0.00009 161 2PX 0.00020 0.00031 0.00124 0.00000 -0.00011 162 2PY -0.00002 0.00105 -0.00001 0.00000 -0.00024 163 2PZ 0.00121 -0.00005 0.00005 0.00000 -0.00005 164 3S 0.00045 0.00026 0.00036 0.00004 -0.00122 165 3PX 0.00000 -0.00001 0.00030 0.00004 -0.00090 166 3PY 0.00002 0.00009 0.00001 0.00006 -0.00155 167 3PZ 0.00025 0.00002 0.00004 0.00003 -0.00048 168 4XX 0.00000 0.00000 -0.00007 0.00000 0.00000 169 4YY 0.00000 -0.00010 0.00000 0.00000 0.00003 170 4ZZ -0.00010 0.00001 -0.00002 0.00000 0.00000 171 4XY 0.00001 0.00000 0.00001 0.00000 0.00001 172 4XZ -0.00001 0.00003 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 174 16 H 1S 0.00114 0.00172 0.00226 0.00000 -0.00017 175 2S 0.00027 0.00030 0.00052 0.00019 -0.00265 176 17 H 1S 0.00003 0.00000 0.00005 -0.00198 0.03084 177 2S 0.00012 0.00000 0.00026 -0.00120 0.01190 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00019 179 2S -0.00001 0.00000 0.00000 0.00019 -0.00267 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00015 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00004 -0.00001 0.00002 0.00000 0.00000 185 2S 0.00009 -0.00008 0.00008 0.00000 0.00013 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 -0.00006 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 -0.00001 -0.00001 0.00000 0.00001 101 102 103 104 105 101 2PX 0.36897 102 2PY 0.00000 0.41335 103 2PZ 0.00000 0.00000 0.39023 104 3S 0.00000 0.00000 0.00000 0.25010 105 3PX 0.10335 0.00000 0.00000 0.00000 0.11999 106 3PY 0.00000 0.07887 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.09568 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 -0.00354 0.00000 109 4YY 0.00000 0.00000 0.00000 -0.00196 0.00000 110 4ZZ 0.00000 0.00000 0.00000 -0.00155 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S -0.00143 -0.00062 -0.00090 0.00070 -0.00061 115 2S 0.02093 0.00935 0.01263 0.00574 0.01224 116 2PX -0.00057 0.01791 0.03916 0.00750 0.00366 117 2PY 0.01825 -0.00036 0.00745 0.01237 0.00805 118 2PZ 0.03418 0.00932 0.00059 0.00722 0.01437 119 3S 0.02146 0.00590 0.01306 -0.01475 0.01146 120 3PX 0.00242 0.00816 0.02061 -0.00312 0.01822 121 3PY 0.00702 -0.00073 0.00274 0.00540 0.00359 122 3PZ 0.01528 0.00376 0.00259 0.00232 0.01266 123 4XX -0.00099 0.00080 0.00133 0.00123 -0.00161 124 4YY -0.00024 -0.00025 -0.00019 -0.00158 -0.00022 125 4ZZ 0.00034 0.00013 -0.00071 0.00062 0.00152 126 4XY 0.00030 -0.00003 0.00116 0.00021 0.00001 127 4XZ 0.00034 0.00095 0.00003 0.00039 -0.00002 128 4YZ 0.00116 -0.00001 0.00009 0.00020 0.00018 129 13 C 1S 0.00000 0.00000 0.00000 0.00002 0.00001 130 2S -0.00005 0.00000 -0.00015 -0.00042 0.00002 131 2PX 0.00000 0.00000 -0.00022 -0.00083 0.00015 132 2PY 0.00000 0.00000 0.00000 -0.00002 -0.00002 133 2PZ -0.00033 0.00000 -0.00022 -0.00011 -0.00079 134 3S 0.00005 0.00002 -0.00378 0.00248 0.00384 135 3PX 0.00002 -0.00002 -0.00115 -0.00096 0.00004 136 3PY 0.00002 0.00013 0.00009 0.00009 -0.00003 137 3PZ -0.00313 0.00004 -0.00217 0.00151 -0.00198 138 4XX 0.00000 0.00000 0.00002 0.00006 -0.00008 139 4YY 0.00000 0.00000 0.00000 -0.00007 -0.00007 140 4ZZ 0.00004 0.00000 -0.00001 0.00005 0.00033 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ -0.00001 0.00000 0.00008 0.00006 -0.00006 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00001 0.00000 145 2S 0.00000 0.00000 -0.00001 -0.00036 0.00006 146 2PX 0.00000 0.00000 -0.00001 -0.00014 0.00004 147 2PY -0.00002 0.00001 0.00000 -0.00023 -0.00038 148 2PZ 0.00001 -0.00002 -0.00002 -0.00137 -0.00006 149 3S -0.00025 -0.00036 -0.00016 -0.00468 -0.00148 150 3PX 0.00000 -0.00003 -0.00005 -0.00064 0.00000 151 3PY -0.00053 0.00010 0.00006 -0.00149 -0.00158 152 3PZ 0.00017 -0.00075 -0.00016 -0.00522 -0.00027 153 4XX 0.00000 0.00000 0.00000 0.00004 0.00001 154 4YY 0.00000 0.00000 0.00000 0.00001 0.00001 155 4ZZ 0.00000 0.00000 0.00000 -0.00005 -0.00002 156 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 158 4YZ 0.00000 0.00000 0.00000 0.00001 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 -0.00002 -0.00006 160 2S -0.00001 -0.00030 -0.00005 -0.00118 0.00040 161 2PX 0.00001 -0.00025 -0.00008 0.00136 -0.00041 162 2PY -0.00002 -0.00053 -0.00005 -0.00557 -0.00006 163 2PZ -0.00006 -0.00010 0.00000 0.00025 -0.00025 164 3S -0.00102 -0.00148 -0.00108 -0.00157 -0.00090 165 3PX -0.00004 -0.00124 -0.00095 0.00466 -0.00293 166 3PY -0.00010 0.00064 -0.00066 -0.00670 0.00027 167 3PZ -0.00104 -0.00151 -0.00021 -0.00143 -0.00242 168 4XX -0.00001 -0.00001 0.00001 -0.00002 -0.00013 169 4YY 0.00001 0.00014 0.00000 0.00046 0.00005 170 4ZZ 0.00001 -0.00001 0.00000 -0.00017 0.00010 171 4XY 0.00000 0.00006 0.00001 0.00008 0.00000 172 4XZ 0.00000 -0.00001 0.00000 -0.00002 -0.00001 173 4YZ 0.00001 0.00004 0.00000 0.00005 0.00005 174 16 H 1S -0.00007 -0.00057 -0.00007 -0.00417 0.00012 175 2S -0.00091 -0.00839 -0.00152 -0.01700 0.00059 176 17 H 1S 0.02436 0.02407 0.04947 0.04347 0.00828 177 2S 0.01601 0.01556 0.03424 0.03825 0.00516 178 18 H 1S -0.00019 -0.00047 -0.00007 -0.00450 -0.00158 179 2S -0.00256 -0.00651 -0.00039 -0.01535 -0.00582 180 19 H 1S 0.00000 0.00000 0.00000 0.00005 -0.00005 181 2S -0.00001 0.00002 0.00041 0.00079 -0.00100 182 20 H 1S 0.00000 0.00000 0.00000 0.00001 0.00001 183 2S 0.00001 0.00001 -0.00001 0.00036 0.00036 184 21 H 1S 0.00000 0.00000 0.00000 0.00015 0.00000 185 2S 0.00003 0.00051 0.00001 0.00219 0.00018 186 22 H 1S 0.00000 0.00000 -0.00001 -0.00011 0.00013 187 2S 0.00013 0.00000 -0.00054 -0.00081 0.00059 188 23 H 1S 0.00000 0.00000 0.00000 0.00004 0.00000 189 2S -0.00002 -0.00001 0.00010 0.00052 -0.00015 106 107 108 109 110 106 3PY 0.06237 107 3PZ 0.00000 0.09330 108 4XX 0.00000 0.00000 0.00092 109 4YY 0.00000 0.00000 -0.00008 0.00114 110 4ZZ 0.00000 0.00000 0.00007 -0.00006 0.00089 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S -0.00036 0.00035 -0.00003 0.00001 0.00000 115 2S 0.00249 0.00196 0.00050 -0.00046 0.00001 116 2PX 0.01210 0.01595 -0.00076 -0.00034 0.00041 117 2PY 0.00132 0.00065 0.00066 -0.00027 0.00025 118 2PZ 0.00369 0.00349 0.00099 -0.00033 -0.00055 119 3S 0.00031 0.00069 0.00113 -0.00076 -0.00044 120 3PX 0.01057 0.01516 -0.00122 0.00008 0.00087 121 3PY 0.00090 -0.00047 0.00038 -0.00056 -0.00013 122 3PZ -0.00004 0.01140 0.00142 -0.00054 -0.00080 123 4XX 0.00080 0.00174 -0.00002 -0.00003 0.00002 124 4YY -0.00043 -0.00022 -0.00004 0.00004 -0.00006 125 4ZZ -0.00031 -0.00113 0.00005 -0.00005 0.00002 126 4XY 0.00000 0.00013 -0.00003 0.00000 -0.00005 127 4XZ 0.00016 0.00002 -0.00001 -0.00005 0.00001 128 4YZ -0.00002 0.00003 0.00000 0.00000 -0.00002 129 13 C 1S 0.00000 0.00012 0.00000 0.00000 0.00000 130 2S -0.00003 -0.00177 0.00000 0.00000 0.00001 131 2PX -0.00008 -0.00219 0.00000 0.00000 0.00002 132 2PY 0.00019 0.00001 0.00000 0.00000 0.00000 133 2PZ -0.00014 0.00070 0.00001 0.00000 0.00006 134 3S -0.00018 -0.00950 0.00010 -0.00012 0.00019 135 3PX -0.00014 -0.00300 0.00000 -0.00003 0.00015 136 3PY 0.00105 0.00013 0.00000 0.00000 -0.00001 137 3PZ -0.00016 0.00127 0.00004 -0.00015 0.00050 138 4XX 0.00001 0.00026 0.00000 0.00000 0.00000 139 4YY 0.00000 -0.00002 0.00000 0.00000 0.00000 140 4ZZ -0.00001 -0.00022 0.00000 0.00000 0.00000 141 4XY -0.00002 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00001 0.00029 0.00000 0.00000 0.00000 143 4YZ -0.00005 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00001 0.00001 0.00000 0.00000 0.00000 145 2S -0.00018 -0.00042 0.00000 0.00000 0.00000 146 2PX -0.00033 -0.00003 0.00000 0.00000 0.00000 147 2PY 0.00008 0.00010 0.00000 0.00000 0.00000 148 2PZ -0.00076 -0.00117 0.00000 0.00000 0.00000 149 3S -0.00260 -0.00055 -0.00002 0.00003 0.00003 150 3PX -0.00082 0.00000 -0.00001 0.00000 0.00001 151 3PY 0.00001 0.00079 -0.00003 0.00004 -0.00002 152 3PZ -0.00249 -0.00211 0.00001 -0.00002 0.00003 153 4XX 0.00003 0.00004 0.00000 0.00000 0.00000 154 4YY 0.00003 -0.00005 0.00000 0.00000 0.00000 155 4ZZ -0.00009 0.00001 0.00000 0.00000 0.00000 156 4XY 0.00001 -0.00001 0.00000 0.00000 0.00000 157 4XZ 0.00001 -0.00002 0.00000 0.00000 0.00000 158 4YZ 0.00001 0.00003 0.00000 0.00000 0.00000 159 15 C 1S 0.00010 -0.00004 0.00000 0.00000 0.00000 160 2S -0.00274 -0.00007 0.00000 0.00002 0.00000 161 2PX 0.00143 0.00025 0.00000 0.00001 0.00000 162 2PY -0.00579 0.00006 0.00000 0.00006 0.00000 163 2PZ -0.00045 -0.00044 0.00000 0.00002 0.00000 164 3S -0.00347 -0.00043 0.00000 0.00009 0.00005 165 3PX 0.00394 -0.00051 0.00010 -0.00006 -0.00002 166 3PY -0.00164 -0.00011 0.00004 0.00012 0.00000 167 3PZ -0.00328 -0.00241 -0.00007 0.00006 0.00005 168 4XX -0.00004 0.00017 0.00000 0.00000 0.00000 169 4YY 0.00070 -0.00004 0.00000 0.00000 0.00000 170 4ZZ -0.00027 -0.00007 0.00000 0.00000 0.00000 171 4XY 0.00010 0.00004 0.00000 0.00000 0.00000 172 4XZ -0.00001 0.00001 0.00000 0.00000 0.00000 173 4YZ 0.00006 0.00000 0.00000 0.00000 0.00000 174 16 H 1S -0.00334 0.00019 0.00000 0.00002 0.00000 175 2S -0.01421 -0.00033 0.00011 -0.00017 0.00014 176 17 H 1S 0.01001 0.02191 -0.00039 -0.00082 0.00160 177 2S 0.00740 0.02134 0.00026 -0.00135 0.00254 178 18 H 1S -0.00036 -0.00043 -0.00001 0.00009 -0.00001 179 2S -0.00203 -0.00017 -0.00026 0.00097 -0.00025 180 19 H 1S 0.00005 0.00015 0.00000 0.00000 0.00000 181 2S 0.00047 0.00247 -0.00001 0.00000 -0.00001 182 20 H 1S 0.00002 0.00000 0.00000 0.00000 0.00000 183 2S 0.00040 -0.00010 0.00000 0.00000 0.00000 184 21 H 1S 0.00033 0.00000 0.00000 0.00000 0.00000 185 2S 0.00392 -0.00004 0.00000 -0.00001 -0.00001 186 22 H 1S -0.00002 -0.00096 0.00000 0.00000 0.00000 187 2S -0.00011 -0.00406 0.00002 0.00000 -0.00004 188 23 H 1S -0.00002 0.00010 0.00000 0.00000 0.00000 189 2S -0.00030 0.00142 0.00000 0.00000 0.00000 111 112 113 114 115 111 4XY 0.00095 112 4XZ 0.00000 0.00067 113 4YZ 0.00000 0.00000 0.00117 114 12 C 1S -0.00008 -0.00009 -0.00007 2.05499 115 2S 0.00083 0.00096 0.00068 -0.01344 0.32633 116 2PX 0.00020 0.00031 0.00124 0.00000 0.00000 117 2PY -0.00002 0.00105 -0.00001 0.00000 0.00000 118 2PZ 0.00121 -0.00005 0.00005 0.00000 0.00000 119 3S 0.00045 0.00026 0.00036 -0.03645 0.23613 120 3PX 0.00000 -0.00001 0.00030 0.00000 0.00000 121 3PY 0.00002 0.00009 0.00001 0.00000 0.00000 122 3PZ 0.00025 0.00002 0.00004 0.00000 0.00000 123 4XX 0.00000 0.00000 -0.00007 -0.00090 -0.00921 124 4YY 0.00000 -0.00010 0.00000 -0.00145 0.00112 125 4ZZ -0.00010 0.00001 -0.00002 -0.00111 -0.00519 126 4XY 0.00001 0.00000 0.00001 0.00000 0.00000 127 4XZ -0.00001 0.00003 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00019 130 2S 0.00000 0.00001 0.00000 -0.00020 0.00510 131 2PX 0.00000 0.00001 0.00000 -0.00009 0.00177 132 2PY 0.00000 0.00000 0.00000 -0.00019 0.00372 133 2PZ 0.00000 0.00005 0.00000 -0.00117 0.02397 134 3S 0.00000 0.00008 -0.00001 0.00013 0.00692 135 3PX 0.00000 0.00001 0.00000 -0.00008 0.00179 136 3PY -0.00003 0.00000 -0.00001 -0.00024 0.00226 137 3PZ -0.00001 0.00018 0.00000 -0.00127 0.01980 138 4XX 0.00000 0.00000 0.00000 0.00000 -0.00030 139 4YY 0.00000 0.00000 0.00000 0.00000 -0.00018 140 4ZZ 0.00000 0.00000 0.00000 -0.00007 0.00165 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00007 142 4XZ 0.00000 0.00000 0.00000 -0.00002 0.00039 143 4YZ 0.00000 0.00000 0.00000 -0.00005 0.00083 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 -0.00011 148 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00004 149 3S 0.00000 -0.00001 -0.00004 0.00000 -0.00058 150 3PX 0.00000 0.00000 -0.00001 0.00000 -0.00008 151 3PY 0.00000 -0.00002 0.00001 0.00009 -0.00203 152 3PZ -0.00003 0.00000 -0.00001 0.00000 -0.00047 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00002 0.00000 0.00001 0.00000 -0.00002 161 2PX 0.00000 0.00000 0.00005 0.00000 0.00000 162 2PY 0.00006 0.00000 0.00002 0.00000 -0.00007 163 2PZ 0.00004 0.00000 0.00000 0.00000 0.00000 164 3S 0.00014 0.00000 0.00009 0.00007 -0.00089 165 3PX 0.00001 0.00000 0.00018 0.00000 0.00000 166 3PY 0.00014 0.00001 0.00006 0.00011 -0.00067 167 3PZ 0.00012 0.00000 0.00002 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00003 0.00000 0.00005 0.00000 0.00000 175 2S 0.00012 0.00000 0.00026 0.00000 0.00013 176 17 H 1S 0.00114 0.00172 0.00226 0.00000 -0.00020 177 2S 0.00027 0.00030 0.00052 0.00026 -0.00342 178 18 H 1S 0.00004 -0.00001 0.00002 -0.00196 0.03098 179 2S 0.00009 -0.00008 0.00008 -0.00121 0.01237 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00015 181 2S 0.00000 0.00000 0.00000 0.00020 -0.00288 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00009 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S -0.00001 0.00000 0.00000 0.00000 0.00002 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00019 187 2S 0.00000 -0.00001 -0.00001 0.00018 -0.00332 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00006 116 117 118 119 120 116 2PX 0.35439 117 2PY 0.00000 0.41151 118 2PZ 0.00000 0.00000 0.38399 119 3S 0.00000 0.00000 0.00000 0.30063 120 3PX 0.11188 0.00000 0.00000 0.00000 0.12487 121 3PY 0.00000 0.07408 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.09697 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 -0.00711 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00243 0.00000 125 4ZZ 0.00000 0.00000 0.00000 -0.00427 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S -0.00012 -0.00024 -0.00095 -0.00008 -0.00013 130 2S 0.00225 0.00424 0.01884 0.00439 0.00144 131 2PX 0.00002 0.00094 0.00648 0.00232 0.00002 132 2PY 0.00070 -0.00061 0.01258 0.00318 0.00032 133 2PZ 0.00790 0.01391 0.04482 0.02221 0.00379 134 3S 0.00564 0.00982 0.01743 0.00012 0.00757 135 3PX 0.00000 0.00068 0.00365 0.00180 -0.00074 136 3PY 0.00058 0.00034 0.00760 0.00225 0.00009 137 3PZ 0.00425 0.00822 0.01548 0.01207 0.00263 138 4XX 0.00003 -0.00007 -0.00038 -0.00096 -0.00026 139 4YY -0.00003 -0.00006 -0.00029 -0.00038 -0.00014 140 4ZZ 0.00057 0.00108 0.00023 0.00238 0.00065 141 4XY 0.00004 0.00000 0.00021 0.00004 0.00006 142 4XZ 0.00047 0.00020 0.00058 0.00013 0.00053 143 4YZ 0.00023 0.00005 0.00129 0.00035 0.00005 144 14 C 1S 0.00000 0.00000 0.00000 0.00002 0.00001 145 2S 0.00000 -0.00008 -0.00005 -0.00040 -0.00009 146 2PX 0.00000 -0.00001 0.00000 -0.00011 -0.00004 147 2PY 0.00000 -0.00027 -0.00017 -0.00123 -0.00020 148 2PZ 0.00000 -0.00004 -0.00006 0.00017 -0.00019 149 3S -0.00039 -0.00336 0.00006 -0.00142 -0.00184 150 3PX 0.00020 -0.00018 0.00002 -0.00033 0.00051 151 3PY -0.00020 -0.00450 -0.00131 -0.00425 -0.00083 152 3PZ -0.00018 -0.00023 -0.00028 0.00049 -0.00062 153 4XX 0.00000 0.00000 0.00000 0.00001 0.00001 154 4YY 0.00000 0.00001 0.00000 0.00002 0.00003 155 4ZZ 0.00000 -0.00001 0.00000 -0.00002 -0.00004 156 4XY 0.00000 0.00000 0.00000 0.00001 0.00002 157 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00002 158 4YZ 0.00000 0.00003 0.00002 0.00005 0.00002 159 15 C 1S 0.00000 0.00000 0.00000 0.00007 0.00000 160 2S 0.00000 -0.00007 0.00000 -0.00089 0.00000 161 2PX -0.00004 0.00000 0.00000 0.00000 -0.00148 162 2PY 0.00000 -0.00020 0.00000 -0.00117 0.00000 163 2PZ 0.00000 0.00000 -0.00003 0.00000 0.00000 164 3S 0.00000 -0.00117 0.00000 -0.00468 0.00000 165 3PX -0.00148 0.00000 0.00000 0.00000 -0.00748 166 3PY 0.00000 0.00120 0.00000 -0.00138 0.00000 167 3PZ 0.00000 0.00000 -0.00097 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 169 4YY 0.00000 0.00001 0.00000 0.00002 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00011 0.00012 175 2S 0.00023 0.00019 0.00011 0.00169 0.00167 176 17 H 1S -0.00035 0.00000 -0.00037 -0.00410 -0.00228 177 2S -0.00577 0.00001 -0.00550 -0.01509 -0.01064 178 18 H 1S 0.00105 0.09692 0.00069 0.04240 0.00025 179 2S 0.00024 0.06457 0.00048 0.02340 -0.00063 180 19 H 1S -0.00026 0.00000 -0.00029 -0.00231 -0.00206 181 2S -0.00585 -0.00011 -0.00246 -0.01153 -0.01242 182 20 H 1S 0.00000 0.00000 0.00000 0.00004 0.00005 183 2S 0.00011 0.00015 0.00006 0.00041 0.00089 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00006 0.00000 0.00020 0.00003 186 22 H 1S 0.00001 -0.00001 -0.00045 -0.00122 -0.00012 187 2S -0.00013 -0.00012 -0.00666 -0.00380 -0.00091 188 23 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 189 2S 0.00001 0.00010 0.00023 0.00004 0.00006 121 122 123 124 125 121 3PY 0.05321 122 3PZ 0.00000 0.09659 123 4XX 0.00000 0.00000 0.00149 124 4YY 0.00000 0.00000 -0.00017 0.00186 125 4ZZ 0.00000 0.00000 0.00002 -0.00024 0.00145 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S -0.00030 -0.00056 0.00000 0.00001 -0.00008 130 2S 0.00327 0.01093 -0.00025 -0.00028 0.00173 131 2PX 0.00013 0.00151 0.00003 -0.00004 0.00057 132 2PY -0.00170 0.00724 -0.00003 -0.00005 0.00113 133 2PZ 0.00268 0.01200 -0.00056 -0.00047 -0.00015 134 3S 0.00649 -0.00033 -0.00076 -0.00147 0.00324 135 3PX -0.00003 0.00122 -0.00020 -0.00007 0.00038 136 3PY -0.00189 0.00562 -0.00013 -0.00035 0.00081 137 3PZ 0.00065 0.00190 -0.00046 -0.00095 0.00011 138 4XX 0.00001 0.00003 0.00002 -0.00001 0.00000 139 4YY -0.00034 -0.00005 0.00000 0.00002 -0.00008 140 4ZZ 0.00048 -0.00049 -0.00005 -0.00006 0.00007 141 4XY 0.00001 0.00003 0.00000 0.00000 0.00001 142 4XZ 0.00001 0.00015 0.00000 -0.00001 -0.00007 143 4YZ 0.00023 0.00018 -0.00002 0.00000 -0.00007 144 14 C 1S 0.00005 0.00001 0.00000 0.00000 0.00000 145 2S -0.00095 -0.00046 0.00000 0.00001 0.00000 146 2PX 0.00000 0.00006 0.00000 0.00000 0.00000 147 2PY -0.00108 -0.00158 0.00000 0.00005 -0.00001 148 2PZ 0.00178 -0.00044 0.00000 0.00000 0.00000 149 3S -0.00547 0.00200 -0.00002 0.00026 -0.00011 150 3PX -0.00014 0.00022 0.00000 0.00001 0.00000 151 3PY -0.00385 -0.00215 -0.00003 0.00058 -0.00029 152 3PZ 0.00275 -0.00015 -0.00003 0.00000 0.00001 153 4XX -0.00005 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00004 -0.00010 0.00000 0.00000 0.00000 155 4ZZ 0.00006 0.00006 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 157 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 158 4YZ 0.00002 0.00007 0.00000 0.00000 0.00000 159 15 C 1S 0.00011 0.00000 0.00000 0.00000 0.00000 160 2S -0.00067 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00120 0.00000 0.00000 0.00001 0.00000 163 2PZ 0.00000 -0.00097 0.00000 0.00000 0.00000 164 3S -0.00138 0.00000 0.00001 0.00002 0.00001 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00481 0.00000 -0.00001 -0.00005 0.00001 167 3PZ 0.00000 -0.00447 0.00000 0.00000 0.00000 168 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 169 4YY -0.00005 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00001 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 -0.00003 0.00000 0.00000 0.00000 174 16 H 1S 0.00006 0.00007 0.00000 0.00000 0.00000 175 2S 0.00108 0.00063 0.00000 -0.00002 0.00000 176 17 H 1S -0.00011 -0.00102 0.00002 -0.00001 0.00006 177 2S -0.00027 -0.00394 0.00015 -0.00035 0.00070 178 18 H 1S 0.04297 0.00017 -0.00103 0.00754 -0.00119 179 2S 0.04178 -0.00010 -0.00176 0.00684 -0.00308 180 19 H 1S 0.00009 0.00032 0.00003 0.00000 0.00001 181 2S -0.00013 0.00542 0.00057 -0.00014 -0.00023 182 20 H 1S -0.00005 0.00002 0.00000 0.00000 0.00000 183 2S -0.00025 -0.00010 0.00000 -0.00001 0.00001 184 21 H 1S -0.00003 0.00000 0.00000 0.00000 0.00000 185 2S -0.00016 0.00001 0.00000 0.00000 0.00000 186 22 H 1S 0.00015 -0.00578 0.00000 0.00000 0.00014 187 2S 0.00030 -0.01806 -0.00007 -0.00012 0.00070 188 23 H 1S -0.00011 0.00024 0.00000 0.00000 0.00000 189 2S -0.00014 0.00192 0.00001 -0.00002 0.00000 126 127 128 129 130 126 4XY 0.00042 127 4XZ 0.00000 0.00069 128 4YZ 0.00000 0.00000 0.00065 129 13 C 1S 0.00000 -0.00002 -0.00004 2.05092 130 2S 0.00008 0.00027 0.00071 -0.01170 0.30682 131 2PX 0.00002 0.00055 0.00018 0.00000 0.00000 132 2PY 0.00000 0.00016 0.00007 0.00000 0.00000 133 2PZ 0.00023 0.00036 0.00127 0.00000 0.00000 134 3S 0.00007 0.00015 0.00038 -0.03425 0.22724 135 3PX 0.00002 0.00045 0.00004 0.00000 0.00000 136 3PY 0.00000 0.00003 0.00015 0.00000 0.00000 137 3PZ 0.00007 0.00003 0.00018 0.00000 0.00000 138 4XX 0.00000 0.00000 -0.00003 -0.00141 0.00014 139 4YY 0.00000 -0.00001 0.00000 -0.00123 -0.00365 140 4ZZ 0.00000 -0.00001 -0.00002 -0.00129 -0.00249 141 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 142 4XZ 0.00001 -0.00005 0.00001 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00013 145 2S 0.00000 0.00000 0.00001 -0.00013 0.00349 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00005 -0.00105 0.02291 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00001 0.00000 0.00006 0.00028 0.00260 150 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 151 3PY 0.00001 -0.00001 0.00017 -0.00147 0.02051 152 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 -0.00023 154 4YY 0.00000 0.00000 0.00000 -0.00011 0.00250 155 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00022 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 -0.00008 163 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00005 164 3S 0.00000 0.00000 0.00000 0.00002 -0.00040 165 3PX -0.00002 0.00000 0.00000 0.00001 -0.00009 166 3PY 0.00000 0.00000 0.00000 0.00005 -0.00095 167 3PZ 0.00000 0.00000 -0.00003 0.00001 -0.00046 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00005 0.00000 0.00000 0.00000 177 2S -0.00002 0.00009 -0.00002 0.00000 0.00008 178 18 H 1S 0.00009 0.00001 0.00008 0.00000 -0.00013 179 2S 0.00002 0.00000 0.00001 0.00016 -0.00247 180 19 H 1S 0.00000 0.00008 0.00000 -0.00170 0.02784 181 2S -0.00001 0.00030 -0.00002 -0.00043 0.00951 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00011 183 2S 0.00000 0.00000 0.00000 0.00009 -0.00166 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00006 186 22 H 1S 0.00000 0.00002 0.00000 -0.00166 0.02734 187 2S 0.00000 0.00008 -0.00003 -0.00064 0.00994 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00013 189 2S 0.00000 0.00000 -0.00001 0.00013 -0.00208 131 132 133 134 135 131 2PX 0.41187 132 2PY 0.00000 0.38124 133 2PZ 0.00000 0.00000 0.38896 134 3S 0.00000 0.00000 0.00000 0.30210 135 3PX 0.10595 0.00000 0.00000 0.00000 0.08585 136 3PY 0.00000 0.09886 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.10249 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 -0.00022 0.00000 139 4YY 0.00000 0.00000 0.00000 -0.00323 0.00000 140 4ZZ 0.00000 0.00000 0.00000 -0.00010 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 -0.00105 0.00000 0.00028 0.00000 145 2S 0.00000 0.02291 0.00000 0.00260 0.00000 146 2PX -0.00004 0.00000 0.00000 0.00000 -0.00093 147 2PY 0.00000 0.07729 0.00000 0.02762 0.00000 148 2PZ 0.00000 0.00000 0.00042 0.00000 0.00000 149 3S 0.00000 0.02763 0.00000 -0.01566 0.00000 150 3PX -0.00093 0.00000 0.00000 0.00000 -0.00257 151 3PY 0.00000 0.03407 0.00000 0.01958 0.00000 152 3PZ 0.00000 0.00000 -0.00123 0.00000 0.00000 153 4XX 0.00000 -0.00056 0.00000 -0.00079 0.00000 154 4YY 0.00000 0.00251 0.00000 0.00369 0.00000 155 4ZZ 0.00000 -0.00064 0.00000 -0.00124 0.00000 156 4XY 0.00114 0.00000 0.00000 0.00000 0.00074 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00104 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 -0.00011 -0.00004 -0.00058 -0.00008 161 2PX 0.00000 0.00000 0.00000 -0.00039 0.00020 162 2PY -0.00001 -0.00027 -0.00004 -0.00336 -0.00018 163 2PZ 0.00000 -0.00017 -0.00006 0.00006 0.00002 164 3S -0.00011 -0.00123 0.00017 -0.00142 -0.00033 165 3PX -0.00004 -0.00020 -0.00019 -0.00184 0.00051 166 3PY 0.00000 -0.00108 0.00178 -0.00547 -0.00015 167 3PZ 0.00005 -0.00158 -0.00044 0.00200 0.00022 168 4XX 0.00000 0.00000 0.00000 -0.00002 0.00000 169 4YY 0.00000 0.00005 0.00000 0.00026 0.00001 170 4ZZ 0.00000 -0.00001 0.00000 -0.00011 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00001 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00001 173 4YZ 0.00000 0.00005 0.00000 0.00006 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 -0.00001 -0.00005 176 17 H 1S 0.00000 0.00000 0.00000 0.00008 0.00002 177 2S 0.00009 0.00001 0.00033 0.00142 0.00048 178 18 H 1S -0.00001 -0.00028 -0.00025 -0.00400 -0.00014 179 2S -0.00020 -0.00446 -0.00431 -0.01623 -0.00051 180 19 H 1S 0.07932 0.01254 0.00674 0.03034 0.05114 181 2S 0.05033 0.00744 0.00404 -0.00477 0.04890 182 20 H 1S -0.00012 -0.00032 0.00000 -0.00122 -0.00112 183 2S -0.00196 -0.00463 -0.00003 -0.00090 -0.00408 184 21 H 1S 0.00000 0.00000 0.00000 0.00007 0.00000 185 2S 0.00000 0.00029 0.00004 0.00130 0.00003 186 22 H 1S 0.04268 0.00966 0.04455 0.03402 0.02647 187 2S 0.02851 0.00580 0.02893 0.01332 0.02783 188 23 H 1S -0.00008 -0.00033 -0.00008 -0.00222 -0.00056 189 2S -0.00121 -0.00487 -0.00081 -0.00793 -0.00243 136 137 138 139 140 136 3PY 0.08588 137 3PZ 0.00000 0.09074 138 4XX 0.00000 0.00000 0.00113 139 4YY 0.00000 0.00000 -0.00011 0.00121 140 4ZZ 0.00000 0.00000 -0.00006 -0.00011 0.00105 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S -0.00147 0.00000 0.00000 -0.00011 0.00000 145 2S 0.02051 0.00000 -0.00023 0.00250 -0.00022 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.03407 0.00000 -0.00056 0.00251 -0.00064 148 2PZ 0.00000 -0.00123 0.00000 0.00000 0.00000 149 3S 0.01958 0.00000 -0.00079 0.00369 -0.00124 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.01442 0.00000 -0.00111 0.00189 -0.00167 152 3PZ 0.00000 -0.00415 0.00000 0.00000 0.00000 153 4XX -0.00111 0.00000 0.00000 -0.00001 0.00000 154 4YY 0.00189 0.00000 -0.00001 -0.00002 -0.00001 155 4ZZ -0.00167 0.00000 0.00000 -0.00001 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00072 0.00000 0.00000 0.00000 159 15 C 1S 0.00009 0.00000 0.00000 0.00000 0.00000 160 2S -0.00203 -0.00047 0.00000 0.00000 0.00000 161 2PX -0.00020 -0.00018 0.00000 0.00000 0.00000 162 2PY -0.00450 -0.00024 0.00000 0.00001 -0.00001 163 2PZ -0.00131 -0.00028 0.00000 0.00000 0.00000 164 3S -0.00425 0.00049 0.00001 0.00002 -0.00002 165 3PX -0.00083 -0.00062 0.00001 0.00003 -0.00004 166 3PY -0.00385 0.00275 -0.00005 0.00004 0.00006 167 3PZ -0.00215 -0.00015 0.00000 -0.00010 0.00006 168 4XX -0.00003 -0.00003 0.00000 0.00000 0.00000 169 4YY 0.00058 0.00000 0.00000 0.00000 0.00000 170 4ZZ -0.00029 0.00001 0.00000 0.00000 0.00000 171 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 172 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00017 0.00001 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S -0.00001 -0.00008 0.00000 0.00000 0.00000 176 17 H 1S 0.00001 0.00020 0.00000 0.00000 0.00000 177 2S 0.00015 0.00283 -0.00001 0.00000 0.00000 178 18 H 1S -0.00097 -0.00282 0.00000 0.00004 -0.00001 179 2S -0.00527 -0.00972 -0.00003 0.00065 -0.00038 180 19 H 1S 0.00787 0.00549 0.00438 -0.00079 -0.00093 181 2S 0.00646 0.00408 0.00431 -0.00101 -0.00230 182 20 H 1S -0.00278 -0.00020 0.00000 0.00002 0.00000 183 2S -0.00870 -0.00031 -0.00005 -0.00016 0.00020 184 21 H 1S 0.00023 0.00000 0.00000 0.00000 0.00000 185 2S 0.00301 0.00018 0.00000 0.00000 0.00000 186 22 H 1S 0.00709 0.02917 0.00062 -0.00087 0.00098 187 2S 0.00655 0.02843 0.00050 -0.00155 0.00172 188 23 H 1S -0.00202 -0.00076 0.00000 0.00003 0.00000 189 2S -0.00760 -0.00160 0.00013 -0.00003 0.00003 141 142 143 144 145 141 4XY 0.00096 142 4XZ 0.00000 0.00130 143 4YZ 0.00000 0.00000 0.00091 144 14 C 1S 0.00000 0.00000 0.00000 2.05092 145 2S 0.00000 0.00000 0.00000 -0.01170 0.30682 146 2PX 0.00114 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00104 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 -0.03425 0.22724 150 3PX 0.00074 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00072 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 -0.00141 0.00014 154 4YY 0.00000 0.00000 0.00000 -0.00123 -0.00365 155 4ZZ 0.00000 0.00000 0.00000 -0.00129 -0.00249 156 4XY -0.00016 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 -0.00012 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00020 160 2S 0.00000 0.00000 0.00001 -0.00019 0.00510 161 2PX 0.00000 0.00000 0.00000 -0.00012 0.00225 162 2PY 0.00000 0.00000 0.00003 -0.00024 0.00423 163 2PZ 0.00000 0.00000 0.00002 -0.00095 0.01884 164 3S 0.00001 0.00000 0.00005 -0.00008 0.00439 165 3PX 0.00002 -0.00002 0.00002 -0.00013 0.00144 166 3PY 0.00000 0.00000 0.00002 -0.00030 0.00327 167 3PZ 0.00001 -0.00001 0.00007 -0.00056 0.01093 168 4XX 0.00000 0.00000 0.00000 0.00000 -0.00025 169 4YY 0.00000 0.00000 0.00000 0.00001 -0.00028 170 4ZZ 0.00000 0.00000 0.00000 -0.00008 0.00173 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00008 172 4XZ 0.00000 0.00000 0.00000 -0.00002 0.00027 173 4YZ 0.00000 0.00000 0.00000 -0.00004 0.00071 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00008 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00004 0.00000 0.00000 179 2S 0.00001 -0.00001 0.00010 0.00000 0.00006 180 19 H 1S 0.00195 0.00105 0.00021 0.00000 -0.00011 181 2S 0.00042 0.00029 0.00003 0.00009 -0.00166 182 20 H 1S 0.00005 0.00000 0.00000 -0.00170 0.02784 183 2S 0.00028 -0.00001 0.00002 -0.00043 0.00951 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00013 185 2S 0.00000 0.00000 -0.00001 0.00016 -0.00247 186 22 H 1S 0.00087 0.00338 0.00098 0.00000 -0.00013 187 2S 0.00021 0.00078 0.00021 0.00013 -0.00208 188 23 H 1S 0.00003 0.00000 0.00003 -0.00166 0.02734 189 2S 0.00017 -0.00003 0.00015 -0.00064 0.00994 146 147 148 149 150 146 2PX 0.41187 147 2PY 0.00000 0.38124 148 2PZ 0.00000 0.00000 0.38896 149 3S 0.00000 0.00000 0.00000 0.30211 150 3PX 0.10595 0.00000 0.00000 0.00000 0.08586 151 3PY 0.00000 0.09886 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.10248 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 -0.00022 0.00000 154 4YY 0.00000 0.00000 0.00000 -0.00323 0.00000 155 4ZZ 0.00000 0.00000 0.00000 -0.00010 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S -0.00009 -0.00019 -0.00117 0.00013 -0.00008 160 2S 0.00177 0.00371 0.02397 0.00692 0.00180 161 2PX 0.00002 0.00070 0.00791 0.00564 -0.00001 162 2PY 0.00094 -0.00061 0.01389 0.00981 0.00069 163 2PZ 0.00649 0.01257 0.04482 0.01743 0.00365 164 3S 0.00233 0.00318 0.02221 0.00013 0.00180 165 3PX 0.00002 0.00032 0.00380 0.00758 -0.00075 166 3PY 0.00013 -0.00170 0.00268 0.00649 -0.00003 167 3PZ 0.00152 0.00723 0.01200 -0.00033 0.00123 168 4XX 0.00003 -0.00003 -0.00056 -0.00076 -0.00020 169 4YY -0.00004 -0.00005 -0.00047 -0.00147 -0.00007 170 4ZZ 0.00057 0.00113 -0.00015 0.00324 0.00038 171 4XY 0.00002 0.00000 0.00023 0.00007 0.00002 172 4XZ 0.00055 0.00016 0.00037 0.00015 0.00045 173 4YZ 0.00018 0.00007 0.00127 0.00037 0.00004 174 16 H 1S 0.00000 0.00000 0.00000 0.00008 0.00002 175 2S 0.00009 0.00001 0.00033 0.00142 0.00048 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 -0.00001 -0.00005 178 18 H 1S 0.00000 0.00000 0.00000 0.00007 0.00000 179 2S 0.00000 0.00029 0.00004 0.00130 0.00003 180 19 H 1S -0.00012 -0.00032 0.00000 -0.00122 -0.00112 181 2S -0.00195 -0.00464 -0.00003 -0.00090 -0.00407 182 20 H 1S 0.07935 0.01254 0.00672 0.03034 0.05116 183 2S 0.05034 0.00744 0.00403 -0.00478 0.04891 184 21 H 1S -0.00001 -0.00028 -0.00025 -0.00400 -0.00014 185 2S -0.00020 -0.00446 -0.00431 -0.01623 -0.00051 186 22 H 1S -0.00008 -0.00033 -0.00008 -0.00222 -0.00056 187 2S -0.00121 -0.00487 -0.00081 -0.00793 -0.00243 188 23 H 1S 0.04264 0.00967 0.04457 0.03402 0.02645 189 2S 0.02849 0.00581 0.02894 0.01332 0.02781 151 152 153 154 155 151 3PY 0.08588 152 3PZ 0.00000 0.09073 153 4XX 0.00000 0.00000 0.00114 154 4YY 0.00000 0.00000 -0.00011 0.00121 155 4ZZ 0.00000 0.00000 -0.00006 -0.00011 0.00105 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S -0.00024 -0.00127 0.00000 0.00000 -0.00007 160 2S 0.00226 0.01980 -0.00030 -0.00018 0.00165 161 2PX 0.00058 0.00425 0.00003 -0.00003 0.00057 162 2PY 0.00034 0.00821 -0.00007 -0.00006 0.00108 163 2PZ 0.00759 0.01549 -0.00038 -0.00029 0.00023 164 3S 0.00225 0.01207 -0.00096 -0.00038 0.00238 165 3PX 0.00009 0.00263 -0.00026 -0.00014 0.00065 166 3PY -0.00189 0.00065 0.00001 -0.00034 0.00048 167 3PZ 0.00562 0.00190 0.00004 -0.00005 -0.00049 168 4XX -0.00013 -0.00046 0.00002 0.00000 -0.00005 169 4YY -0.00035 -0.00095 -0.00001 0.00002 -0.00006 170 4ZZ 0.00081 0.00011 0.00000 -0.00008 0.00007 171 4XY 0.00000 0.00007 0.00000 0.00000 0.00000 172 4XZ 0.00003 0.00003 0.00000 -0.00001 -0.00001 173 4YZ 0.00015 0.00018 -0.00003 0.00000 -0.00002 174 16 H 1S 0.00001 0.00020 0.00000 0.00000 0.00000 175 2S 0.00015 0.00283 -0.00001 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S -0.00001 -0.00008 0.00000 0.00000 0.00000 178 18 H 1S 0.00023 0.00000 0.00000 0.00000 0.00000 179 2S 0.00301 0.00018 0.00000 0.00000 0.00000 180 19 H 1S -0.00278 -0.00020 0.00000 0.00002 0.00000 181 2S -0.00870 -0.00031 -0.00005 -0.00016 0.00020 182 20 H 1S 0.00787 0.00548 0.00438 -0.00079 -0.00093 183 2S 0.00646 0.00407 0.00431 -0.00101 -0.00230 184 21 H 1S -0.00097 -0.00282 0.00000 0.00004 -0.00001 185 2S -0.00527 -0.00972 -0.00003 0.00065 -0.00038 186 22 H 1S -0.00202 -0.00076 0.00000 0.00003 0.00000 187 2S -0.00760 -0.00160 0.00013 -0.00003 0.00003 188 23 H 1S 0.00710 0.02918 0.00062 -0.00087 0.00099 189 2S 0.00656 0.02845 0.00050 -0.00155 0.00172 156 157 158 159 160 156 4XY 0.00096 157 4XZ 0.00000 0.00130 158 4YZ 0.00000 0.00000 0.00091 159 15 C 1S 0.00000 -0.00002 -0.00005 2.05499 160 2S 0.00007 0.00039 0.00082 -0.01344 0.32633 161 2PX 0.00004 0.00047 0.00023 0.00000 0.00000 162 2PY 0.00000 0.00020 0.00005 0.00000 0.00000 163 2PZ 0.00021 0.00058 0.00129 0.00000 0.00000 164 3S 0.00004 0.00013 0.00035 -0.03645 0.23612 165 3PX 0.00005 0.00053 0.00005 0.00000 0.00000 166 3PY 0.00001 0.00001 0.00023 0.00000 0.00000 167 3PZ 0.00003 0.00015 0.00018 0.00000 0.00000 168 4XX 0.00000 0.00000 -0.00002 -0.00090 -0.00921 169 4YY 0.00000 -0.00001 0.00000 -0.00145 0.00112 170 4ZZ 0.00001 -0.00007 -0.00007 -0.00111 -0.00519 171 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 172 4XZ 0.00002 -0.00005 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00020 175 2S 0.00000 -0.00001 0.00000 0.00026 -0.00342 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00013 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 -0.00001 0.00000 0.00002 180 19 H 1S 0.00005 0.00000 0.00000 0.00000 0.00000 181 2S 0.00028 -0.00001 0.00002 0.00000 0.00009 182 20 H 1S 0.00195 0.00104 0.00021 0.00000 -0.00015 183 2S 0.00042 0.00029 0.00003 0.00020 -0.00288 184 21 H 1S 0.00000 0.00000 0.00004 -0.00196 0.03098 185 2S 0.00001 -0.00001 0.00010 -0.00121 0.01237 186 22 H 1S 0.00003 0.00000 0.00003 0.00000 0.00000 187 2S 0.00017 -0.00003 0.00015 0.00000 0.00006 188 23 H 1S 0.00087 0.00338 0.00098 0.00000 -0.00019 189 2S 0.00021 0.00078 0.00021 0.00018 -0.00332 161 162 163 164 165 161 2PX 0.35439 162 2PY 0.00000 0.41151 163 2PZ 0.00000 0.00000 0.38399 164 3S 0.00000 0.00000 0.00000 0.30060 165 3PX 0.11188 0.00000 0.00000 0.00000 0.12487 166 3PY 0.00000 0.07408 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.09697 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 -0.00711 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00243 0.00000 170 4ZZ 0.00000 0.00000 0.00000 -0.00427 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S -0.00035 0.00000 -0.00037 -0.00410 -0.00228 175 2S -0.00577 0.00001 -0.00550 -0.01509 -0.01064 176 17 H 1S 0.00000 0.00000 0.00000 0.00011 0.00012 177 2S 0.00023 0.00019 0.00011 0.00169 0.00167 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00006 0.00000 0.00020 0.00003 180 19 H 1S 0.00000 0.00000 0.00000 0.00004 0.00005 181 2S 0.00011 0.00015 0.00006 0.00041 0.00088 182 20 H 1S -0.00026 0.00000 -0.00029 -0.00231 -0.00206 183 2S -0.00585 -0.00011 -0.00246 -0.01153 -0.01243 184 21 H 1S 0.00105 0.09692 0.00070 0.04240 0.00025 185 2S 0.00024 0.06456 0.00049 0.02340 -0.00063 186 22 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 187 2S 0.00001 0.00010 0.00023 0.00004 0.00006 188 23 H 1S 0.00001 -0.00001 -0.00045 -0.00122 -0.00012 189 2S -0.00013 -0.00012 -0.00666 -0.00380 -0.00091 166 167 168 169 170 166 3PY 0.05321 167 3PZ 0.00000 0.09658 168 4XX 0.00000 0.00000 0.00149 169 4YY 0.00000 0.00000 -0.00017 0.00186 170 4ZZ 0.00000 0.00000 0.00002 -0.00024 0.00145 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S -0.00011 -0.00102 0.00002 -0.00001 0.00006 175 2S -0.00027 -0.00393 0.00015 -0.00035 0.00070 176 17 H 1S 0.00006 0.00007 0.00000 0.00000 0.00000 177 2S 0.00108 0.00063 0.00000 -0.00002 0.00000 178 18 H 1S -0.00003 0.00000 0.00000 0.00000 0.00000 179 2S -0.00016 0.00001 0.00000 0.00000 0.00000 180 19 H 1S -0.00005 0.00002 0.00000 0.00000 0.00000 181 2S -0.00025 -0.00009 0.00000 -0.00001 0.00001 182 20 H 1S 0.00009 0.00032 0.00003 0.00000 0.00001 183 2S -0.00013 0.00542 0.00057 -0.00014 -0.00023 184 21 H 1S 0.04296 0.00017 -0.00103 0.00754 -0.00119 185 2S 0.04178 -0.00010 -0.00176 0.00684 -0.00308 186 22 H 1S -0.00011 0.00024 0.00000 0.00000 0.00000 187 2S -0.00014 0.00192 0.00001 -0.00002 0.00000 188 23 H 1S 0.00015 -0.00578 0.00000 0.00000 0.00014 189 2S 0.00030 -0.01806 -0.00007 -0.00012 0.00070 171 172 173 174 175 171 4XY 0.00042 172 4XZ 0.00000 0.00069 173 4YZ 0.00000 0.00000 0.00065 174 16 H 1S 0.00000 0.00005 0.00000 0.21693 175 2S -0.00002 0.00009 -0.00002 0.11783 0.17164 176 17 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00093 177 2S 0.00000 0.00000 0.00000 -0.00093 -0.00553 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 -0.00014 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00002 182 20 H 1S 0.00000 0.00008 0.00000 0.00000 0.00000 183 2S -0.00001 0.00030 -0.00002 0.00000 -0.00019 184 21 H 1S 0.00009 0.00001 0.00008 -0.00001 -0.00104 185 2S 0.00002 0.00000 0.00001 -0.00105 -0.00589 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 188 23 H 1S 0.00000 0.00002 0.00000 0.00000 0.00000 189 2S 0.00000 0.00008 -0.00003 0.00000 -0.00005 176 177 178 179 180 176 17 H 1S 0.21693 177 2S 0.11783 0.17164 178 18 H 1S -0.00001 -0.00104 0.21714 179 2S -0.00105 -0.00589 0.11577 0.16496 180 19 H 1S 0.00000 0.00000 -0.00001 -0.00027 0.21593 181 2S 0.00000 -0.00019 -0.00039 -0.00001 0.11187 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00003 183 2S 0.00000 0.00002 0.00000 -0.00015 -0.00165 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 -0.00014 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 -0.00015 -0.00052 187 2S 0.00000 -0.00005 -0.00017 -0.00034 -0.00817 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 -0.00011 0.00038 181 182 183 184 185 181 2S 0.16628 182 20 H 1S -0.00165 0.21593 183 2S -0.00908 0.11187 0.16629 184 21 H 1S 0.00000 -0.00001 -0.00039 0.21714 185 2S -0.00015 -0.00027 -0.00001 0.11577 0.16496 186 22 H 1S -0.00841 0.00000 0.00041 0.00000 0.00000 187 2S -0.02546 0.00038 0.00361 0.00000 -0.00011 188 23 H 1S 0.00041 -0.00052 -0.00841 0.00000 -0.00015 189 2S 0.00361 -0.00818 -0.02546 -0.00017 -0.00034 186 187 188 189 186 22 H 1S 0.21529 187 2S 0.11394 0.15893 188 23 H 1S -0.00005 -0.00202 0.21529 189 2S -0.00202 -0.00835 0.11394 0.15893 Gross orbital populations: 1 1 1 C 1S 1.99219 2 2S 0.70394 3 2PX 0.59317 4 2PY 0.75708 5 2PZ 0.65431 6 3S 0.49498 7 3PX 0.25386 8 3PY 0.17399 9 3PZ 0.26763 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 O 1S 1.99234 17 2S 0.89932 18 2PX 0.93697 19 2PY 0.96358 20 2PZ 1.01234 21 3S 1.00625 22 3PX 0.52122 23 3PY 0.55961 24 3PZ 0.56877 25 4XX 0.00128 26 4YY -0.00122 27 4ZZ -0.00484 28 4XY 0.00765 29 4XZ 0.00371 30 4YZ 0.00696 31 3 C 1S 1.99193 32 2S 0.70992 33 2PX 0.73003 34 2PY 0.53059 35 2PZ 0.72491 36 3S 0.45533 37 3PX 0.24766 38 3PY 0.09849 39 3PZ 0.23699 40 4XX 0.01406 41 4YY 0.00335 42 4ZZ 0.01373 43 4XY 0.01768 44 4XZ 0.00681 45 4YZ 0.01937 46 4 C 1S 1.99219 47 2S 0.70394 48 2PX 0.59316 49 2PY 0.75710 50 2PZ 0.65429 51 3S 0.49498 52 3PX 0.25385 53 3PY 0.17400 54 3PZ 0.26763 55 4XX -0.00742 56 4YY 0.00527 57 4ZZ -0.00003 58 4XY 0.01112 59 4XZ 0.01091 60 4YZ 0.01425 61 5 H 1S 0.54161 62 2S 0.31784 63 6 H 1S 0.54013 64 2S 0.30933 65 7 O 1S 1.99234 66 2S 0.89932 67 2PX 0.93698 68 2PY 0.96356 69 2PZ 1.01236 70 3S 1.00625 71 3PX 0.52122 72 3PY 0.55959 73 3PZ 0.56879 74 4XX 0.00128 75 4YY -0.00122 76 4ZZ -0.00484 77 4XY 0.00765 78 4XZ 0.00371 79 4YZ 0.00696 80 8 H 1S 0.52971 81 2S 0.30213 82 9 H 1S 0.52970 83 2S 0.30213 84 10 C 1S 1.99191 85 2S 0.70501 86 2PX 0.64895 87 2PY 0.74796 88 2PZ 0.68315 89 3S 0.50002 90 3PX 0.32197 91 3PY 0.20202 92 3PZ 0.30110 93 4XX -0.01176 94 4YY 0.00154 95 4ZZ -0.00528 96 4XY 0.00869 97 4XZ 0.00540 98 4YZ 0.00997 99 11 C 1S 1.99191 100 2S 0.70501 101 2PX 0.64895 102 2PY 0.74795 103 2PZ 0.68316 104 3S 0.50002 105 3PX 0.32196 106 3PY 0.20204 107 3PZ 0.30109 108 4XX -0.01176 109 4YY 0.00155 110 4ZZ -0.00528 111 4XY 0.00869 112 4XZ 0.00540 113 4YZ 0.00997 114 12 C 1S 1.99262 115 2S 0.70383 116 2PX 0.61236 117 2PY 0.72535 118 2PZ 0.68244 119 3S 0.59620 120 3PX 0.32767 121 3PY 0.24311 122 3PZ 0.25795 123 4XX -0.01515 124 4YY 0.01157 125 4ZZ -0.00535 126 4XY 0.00395 127 4XZ 0.00662 128 4YZ 0.00631 129 13 C 1S 1.99220 130 2S 0.68132 131 2PX 0.72499 132 2PY 0.68460 133 2PZ 0.69614 134 3S 0.58935 135 3PX 0.33283 136 3PY 0.27009 137 3PZ 0.28728 138 4XX 0.00505 139 4YY -0.00217 140 4ZZ -0.00062 141 4XY 0.00716 142 4XZ 0.00969 143 4YZ 0.00762 144 14 C 1S 1.99220 145 2S 0.68132 146 2PX 0.72499 147 2PY 0.68460 148 2PZ 0.69614 149 3S 0.58935 150 3PX 0.33284 151 3PY 0.27010 152 3PZ 0.28727 153 4XX 0.00505 154 4YY -0.00217 155 4ZZ -0.00062 156 4XY 0.00716 157 4XZ 0.00968 158 4YZ 0.00762 159 15 C 1S 1.99262 160 2S 0.70383 161 2PX 0.61235 162 2PY 0.72536 163 2PZ 0.68244 164 3S 0.59618 165 3PX 0.32768 166 3PY 0.24310 167 3PZ 0.25796 168 4XX -0.01515 169 4YY 0.01157 170 4ZZ -0.00535 171 4XY 0.00395 172 4XZ 0.00662 173 4YZ 0.00631 174 16 H 1S 0.53307 175 2S 0.35110 176 17 H 1S 0.53307 177 2S 0.35110 178 18 H 1S 0.53359 179 2S 0.34361 180 19 H 1S 0.53199 181 2S 0.32148 182 20 H 1S 0.53199 183 2S 0.32146 184 21 H 1S 0.53359 185 2S 0.34361 186 22 H 1S 0.52953 187 2S 0.32409 188 23 H 1S 0.52953 189 2S 0.32410 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.923718 0.230651 -0.058174 0.490222 0.004888 0.003983 2 O 0.230651 8.190558 0.255653 -0.039178 -0.050947 -0.035469 3 C -0.058174 0.255653 4.669069 -0.058176 0.360619 0.366228 4 C 0.490222 -0.039178 -0.058176 4.923714 0.004888 0.003982 5 H 0.004888 -0.050947 0.360619 0.004888 0.665551 -0.072752 6 H 0.003983 -0.035469 0.366228 0.003982 -0.072752 0.618290 7 O -0.039177 -0.042486 0.255656 0.230647 -0.050949 -0.035470 8 H -0.042178 0.002500 0.005649 0.381034 -0.000394 0.000081 9 H 0.381030 -0.036732 0.005649 -0.042178 -0.000394 0.000081 10 C -0.016885 0.000580 -0.000126 -0.022831 -0.000062 0.000006 11 C -0.022839 0.000474 -0.000126 -0.016903 -0.000062 0.000006 12 C -0.006324 -0.000389 0.000260 0.109666 0.000715 -0.000074 13 C -0.014423 0.000321 -0.000448 -0.004126 0.000521 0.000066 14 C -0.004115 -0.004502 -0.000449 -0.014419 0.000523 0.000065 15 C 0.109649 -0.010794 0.000260 -0.006325 0.000715 -0.000074 16 H 0.000631 -0.000014 0.000000 -0.000074 0.000000 0.000000 17 H -0.000074 0.000001 0.000000 0.000631 0.000000 0.000000 18 H 0.001100 -0.000011 -0.000038 -0.008905 0.000009 0.000000 19 H 0.000554 0.000123 -0.000291 -0.010500 -0.001802 0.000259 20 H -0.010514 0.013086 -0.000292 0.000553 -0.001806 0.000259 21 H -0.008900 0.000523 -0.000038 0.001099 0.000009 0.000000 22 H 0.000341 -0.000028 -0.000014 0.002065 0.000088 -0.000002 23 H 0.002064 0.000029 -0.000014 0.000341 0.000088 -0.000002 7 8 9 10 11 12 1 C -0.039177 -0.042178 0.381030 -0.016885 -0.022839 -0.006324 2 O -0.042486 0.002500 -0.036732 0.000580 0.000474 -0.000389 3 C 0.255656 0.005649 0.005649 -0.000126 -0.000126 0.000260 4 C 0.230647 0.381034 -0.042178 -0.022831 -0.016903 0.109666 5 H -0.050949 -0.000394 -0.000394 -0.000062 -0.000062 0.000715 6 H -0.035470 0.000081 0.000081 0.000006 0.000006 -0.000074 7 O 8.190572 -0.036732 0.002500 0.000474 0.000580 -0.010799 8 H -0.036732 0.540700 -0.000192 0.002106 -0.004215 -0.018631 9 H 0.002500 -0.000192 0.540690 -0.004214 0.002107 0.001041 10 C 0.000474 0.002106 -0.004214 4.906197 0.509928 -0.043944 11 C 0.000580 -0.004215 0.002107 0.509928 4.906264 0.553402 12 C -0.010799 -0.018631 0.001041 -0.043944 0.553402 4.999289 13 C -0.004492 0.000462 0.000286 -0.031229 -0.023518 0.374473 14 C 0.000320 0.000286 0.000460 -0.023519 -0.031232 -0.033020 15 C -0.000388 0.001041 -0.018621 0.553435 -0.043943 -0.022711 16 H 0.000001 0.000020 0.000298 0.367130 -0.051752 0.006077 17 H -0.000014 0.000298 0.000020 -0.051750 0.367132 -0.052128 18 H 0.000524 -0.000381 -0.000034 0.007379 -0.042416 0.361914 19 H 0.013072 0.000522 -0.000050 0.001073 0.003494 -0.033811 20 H 0.000124 -0.000050 0.000523 0.003492 0.001074 0.001387 21 H -0.000011 -0.000034 -0.000379 -0.042415 0.007379 0.000137 22 H 0.000029 -0.000059 0.000003 0.001689 -0.005866 -0.039438 23 H -0.000028 0.000003 -0.000059 -0.005860 0.001687 0.002385 13 14 15 16 17 18 1 C -0.014423 -0.004115 0.109649 0.000631 -0.000074 0.001100 2 O 0.000321 -0.004502 -0.010794 -0.000014 0.000001 -0.000011 3 C -0.000448 -0.000449 0.000260 0.000000 0.000000 -0.000038 4 C -0.004126 -0.014419 -0.006325 -0.000074 0.000631 -0.008905 5 H 0.000521 0.000523 0.000715 0.000000 0.000000 0.000009 6 H 0.000066 0.000065 -0.000074 0.000000 0.000000 0.000000 7 O -0.004492 0.000320 -0.000388 0.000001 -0.000014 0.000524 8 H 0.000462 0.000286 0.001041 0.000020 0.000298 -0.000381 9 H 0.000286 0.000460 -0.018621 0.000298 0.000020 -0.000034 10 C -0.031229 -0.023519 0.553435 0.367130 -0.051750 0.007379 11 C -0.023518 -0.031232 -0.043943 -0.051752 0.367132 -0.042416 12 C 0.374473 -0.033020 -0.022711 0.006077 -0.052128 0.361914 13 C 5.060580 0.333679 -0.033027 -0.000156 0.005698 -0.051199 14 C 0.333679 5.060600 0.374478 0.005698 -0.000156 0.005215 15 C -0.033027 0.374478 4.999248 -0.052126 0.006077 0.000137 16 H -0.000156 0.005698 -0.052126 0.624219 -0.007408 -0.000145 17 H 0.005698 -0.000156 0.006077 -0.007408 0.624218 -0.007994 18 H -0.051199 0.005215 0.000137 -0.000145 -0.007994 0.613631 19 H 0.352751 -0.027677 0.001390 0.000017 -0.000199 -0.000667 20 H -0.027675 0.352741 -0.033821 -0.000199 0.000017 -0.000156 21 H 0.005215 -0.051200 0.361913 -0.007995 -0.000145 -0.000004 22 H 0.375820 -0.034060 0.002383 -0.000001 -0.000050 -0.000655 23 H -0.034061 0.375818 -0.039430 -0.000050 -0.000001 -0.000112 19 20 21 22 23 1 C 0.000554 -0.010514 -0.008900 0.000341 0.002064 2 O 0.000123 0.013086 0.000523 -0.000028 0.000029 3 C -0.000291 -0.000292 -0.000038 -0.000014 -0.000014 4 C -0.010500 0.000553 0.001099 0.002065 0.000341 5 H -0.001802 -0.001806 0.000009 0.000088 0.000088 6 H 0.000259 0.000259 0.000000 -0.000002 -0.000002 7 O 0.013072 0.000124 -0.000011 0.000029 -0.000028 8 H 0.000522 -0.000050 -0.000034 -0.000059 0.000003 9 H -0.000050 0.000523 -0.000379 0.000003 -0.000059 10 C 0.001073 0.003492 -0.042415 0.001689 -0.005860 11 C 0.003494 0.001074 0.007379 -0.005866 0.001687 12 C -0.033811 0.001387 0.000137 -0.039438 0.002385 13 C 0.352751 -0.027675 0.005215 0.375820 -0.034061 14 C -0.027677 0.352741 -0.051200 -0.034060 0.375818 15 C 0.001390 -0.033821 0.361913 0.002383 -0.039430 16 H 0.000017 -0.000199 -0.007995 -0.000001 -0.000050 17 H -0.000199 0.000017 -0.000145 -0.000050 -0.000001 18 H -0.000667 -0.000156 -0.000004 -0.000655 -0.000112 19 H 0.605942 -0.012412 -0.000156 -0.042566 0.004404 20 H -0.012412 0.605953 -0.000665 0.004406 -0.042571 21 H -0.000156 -0.000665 0.613634 -0.000112 -0.000657 22 H -0.042566 0.004406 -0.000112 0.602093 -0.012447 23 H 0.004404 -0.042571 -0.000657 -0.012447 0.602096 Mulliken charges: 1 1 C 0.074773 2 O -0.473951 3 C 0.199144 4 C 0.074772 5 H 0.140552 6 H 0.150537 7 O -0.473953 8 H 0.168165 9 H 0.168164 10 C -0.110654 11 C -0.110652 12 C -0.149478 13 C -0.285517 14 C -0.285534 15 C -0.149465 16 H 0.115828 17 H 0.115826 18 H 0.122808 19 H 0.146532 20 H 0.146546 21 H 0.122802 22 H 0.146382 23 H 0.146375 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.242936 2 O -0.473951 3 C 0.490232 4 C 0.242937 7 O -0.473953 10 C 0.005174 11 C 0.005174 12 C -0.026669 13 C 0.007397 14 C 0.007386 15 C -0.026663 APT charges: 1 1 C -0.405218 2 O -0.299654 3 C -0.600467 4 C -0.405195 5 H 0.335230 6 H 0.656906 7 O -0.299665 8 H 0.522914 9 H 0.522917 10 C -0.405426 11 C -0.405435 12 C -0.691007 13 C -0.855579 14 C -0.855513 15 C -0.691041 16 H 0.579684 17 H 0.579663 18 H 0.476032 19 H 0.329325 20 H 0.329256 21 H 0.476067 22 H 0.553097 23 H 0.553110 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 C 0.117699 2 O -0.299654 3 C 0.391669 4 C 0.117718 7 O -0.299665 10 C 0.174258 11 C 0.174228 12 C -0.214975 13 C 0.026843 14 C 0.026852 15 C -0.214974 Electronic spatial extent (au): = 1462.8673 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.2910 Y= 0.0001 Z= -0.2503 Tot= 0.3839 Quadrupole moment (field-independent basis, Debye-Ang): XX= -66.0621 YY= -66.2573 ZZ= -61.0980 XY= 0.0001 XZ= 2.5925 YZ= -0.0006 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -1.5896 YY= -1.7849 ZZ= 3.3745 XY= 0.0001 XZ= 2.5925 YZ= -0.0006 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 35.3309 YYY= 0.0013 ZZZ= -4.5902 XYY= -4.5857 XXY= -0.0012 XXZ= 2.3237 XZZ= 4.2927 YZZ= -0.0003 YYZ= -4.6298 XYZ= -0.0009 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1027.3337 YYYY= -454.0202 ZZZZ= -400.8116 XXXY= -0.0008 XXXZ= 25.2469 YYYX= 0.0021 YYYZ= -0.0011 ZZZX= -1.4228 ZZZY= 0.0019 XXYY= -270.3037 XXZZ= -230.4583 YYZZ= -137.0172 XXYZ= -0.0019 YYXZ= 2.4753 ZZXY= 0.0008 N-N= 6.505346514866D+02 E-N=-2.466037806068D+03 KE= 4.958567406719D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.176836 29.026218 2 O -19.176831 29.026284 3 O -10.292296 15.888379 4 O -10.238598 15.880970 5 O -10.238017 15.892084 6 O -10.186436 15.890008 7 O -10.186414 15.884506 8 O -10.180370 15.882765 9 O -10.180194 15.889177 10 O -10.169364 15.876087 11 O -10.168862 15.885789 12 O -1.107171 2.296507 13 O -1.013195 2.785728 14 O -0.829084 1.400528 15 O -0.765909 1.721684 16 O -0.733696 1.473755 17 O -0.728678 1.513930 18 O -0.643757 1.895237 19 O -0.614530 1.756538 20 O -0.603989 1.457203 21 O -0.584676 1.408521 22 O -0.532375 1.336078 23 O -0.511541 1.178826 24 O -0.494177 0.996030 25 O -0.470196 1.352491 26 O -0.446711 1.573916 27 O -0.443553 1.143007 28 O -0.441044 1.573778 29 O -0.405580 1.357447 30 O -0.397903 1.212974 31 O -0.389635 1.719114 32 O -0.384147 1.292313 33 O -0.373291 1.575179 34 O -0.355257 2.366518 35 O -0.348819 1.413673 36 O -0.328580 1.796951 37 O -0.319425 1.470145 38 O -0.317079 1.391307 39 O -0.286259 1.368460 40 O -0.198006 1.279521 41 O -0.185597 1.798742 42 V -0.006986 1.479528 43 V 0.010188 1.673713 44 V 0.083786 0.940078 45 V 0.112325 0.984509 46 V 0.119134 1.770344 47 V 0.122467 1.842683 48 V 0.123157 0.999988 49 V 0.135170 1.073435 50 V 0.144243 1.535418 51 V 0.145257 1.041202 52 V 0.163942 1.653373 53 V 0.171442 1.388378 54 V 0.177647 1.367805 55 V 0.192701 1.270981 56 V 0.197772 2.353379 57 V 0.203001 1.219662 58 V 0.228886 1.314378 59 V 0.236117 1.143582 60 V 0.242721 1.412668 61 V 0.249115 1.439825 62 V 0.304389 1.683473 63 V 0.313625 1.479593 64 V 0.326617 1.752299 65 V 0.370134 2.525643 66 V 0.432158 1.929583 67 V 0.473980 1.814295 68 V 0.477972 1.842658 69 V 0.491401 1.616040 70 V 0.508307 2.036381 71 V 0.523167 2.095524 72 V 0.546532 2.522561 73 V 0.547872 1.755758 74 V 0.548668 2.108109 75 V 0.568906 2.371576 76 V 0.579344 2.171918 77 V 0.607434 2.323823 78 V 0.613354 1.950980 79 V 0.618226 1.942448 80 V 0.636305 2.358905 81 V 0.663090 2.521669 82 V 0.678634 2.532042 83 V 0.712831 2.399498 84 V 0.722927 2.418489 85 V 0.740942 2.512551 86 V 0.751900 2.579571 87 V 0.775363 2.174631 88 V 0.795747 2.393706 89 V 0.798773 2.614823 90 V 0.810709 2.533002 91 V 0.828473 2.500809 92 V 0.842109 2.285806 93 V 0.854432 2.766061 94 V 0.864505 2.706409 95 V 0.880606 2.597072 96 V 0.884448 2.489257 97 V 0.885197 2.710950 98 V 0.887089 2.868315 99 V 0.898056 2.577240 100 V 0.913854 2.700557 101 V 0.937166 2.656040 102 V 0.940303 2.589411 103 V 0.951235 2.714935 104 V 1.007936 2.256277 105 V 1.014391 2.336356 106 V 1.022949 2.836207 107 V 1.027249 2.464878 108 V 1.092088 3.076119 109 V 1.099205 2.654200 110 V 1.114141 2.823566 111 V 1.149206 2.616010 112 V 1.151873 2.999896 113 V 1.189463 2.470871 114 V 1.204054 2.548156 115 V 1.251269 2.394758 116 V 1.264388 2.522642 117 V 1.367263 2.620161 118 V 1.370459 2.851766 119 V 1.398333 2.557558 120 V 1.427041 2.655134 121 V 1.432162 2.569739 122 V 1.438599 2.643848 123 V 1.475739 2.604534 124 V 1.492042 2.727373 125 V 1.526426 2.731802 126 V 1.585295 2.729113 127 V 1.639988 2.848134 128 V 1.661093 2.867847 129 V 1.720443 2.847312 130 V 1.723417 2.956478 131 V 1.758449 2.890034 132 V 1.770892 3.084049 133 V 1.794190 3.089684 134 V 1.860007 3.080341 135 V 1.877782 3.223054 136 V 1.885342 3.369065 137 V 1.908421 3.243950 138 V 1.935619 3.247705 139 V 1.958247 3.419423 140 V 1.976522 3.549610 141 V 1.978381 3.699074 142 V 1.981015 3.552004 143 V 2.000535 3.502419 144 V 2.019367 3.666478 145 V 2.041607 3.521299 146 V 2.088900 3.490912 147 V 2.120237 3.689761 148 V 2.140826 3.517949 149 V 2.160192 3.640550 150 V 2.230129 3.505997 151 V 2.254876 3.549650 152 V 2.262026 3.557635 153 V 2.279912 3.600189 154 V 2.291933 3.680229 155 V 2.309613 3.817486 156 V 2.318550 3.601919 157 V 2.371170 3.779160 158 V 2.401508 3.844966 159 V 2.434358 3.875081 160 V 2.448088 3.771406 161 V 2.451442 3.854181 162 V 2.484078 3.927509 163 V 2.522247 3.909235 164 V 2.545380 4.007358 165 V 2.598900 4.362538 166 V 2.627405 4.427868 167 V 2.645181 4.262202 168 V 2.675687 4.223223 169 V 2.692959 4.304453 170 V 2.694419 4.369061 171 V 2.736158 4.291617 172 V 2.765920 4.303033 173 V 2.803897 4.577674 174 V 2.866864 4.485887 175 V 2.879953 4.651923 176 V 2.944565 4.768119 177 V 3.105761 4.916556 178 V 3.131190 4.838728 179 V 4.006224 10.862471 180 V 4.105776 10.794560 181 V 4.127666 10.147715 182 V 4.252022 10.394609 183 V 4.268090 10.250238 184 V 4.362068 10.479360 185 V 4.370178 10.258845 186 V 4.448583 10.340596 187 V 4.489349 10.367748 188 V 4.649655 10.705344 189 V 4.874519 11.552615 Total kinetic energy from orbitals= 4.958567406720D+02 Exact polarizability: 0.000 0.000 0.000 0.000 0.000 0.000 Approx polarizability: 204.011 -0.004 180.117 8.211 0.002 127.240 Calling FoFJK, ICntrl= 100147 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000002320 -0.000001231 -0.000002370 2 8 0.000000499 -0.000004517 0.000001414 3 6 0.000003981 -0.000001321 0.000001310 4 6 -0.000008661 0.000002497 0.000000114 5 1 0.000000362 -0.000000516 -0.000001400 6 1 -0.000000427 -0.000000574 -0.000000125 7 8 0.000001980 0.000003250 -0.000002339 8 1 -0.000000543 0.000000657 -0.000000694 9 1 -0.000001421 0.000000838 0.000001097 10 6 0.000002691 -0.000002258 0.000004035 11 6 -0.000003270 0.000000443 -0.000001214 12 6 0.000004226 0.000000016 0.000000763 13 6 -0.000000006 0.000000309 0.000003749 14 6 0.000000147 -0.000000867 -0.000001117 15 6 -0.000002227 0.000002686 -0.000000995 16 1 0.000001028 0.000000315 -0.000000196 17 1 0.000000386 -0.000000296 -0.000000341 18 1 -0.000001406 0.000000092 -0.000001178 19 1 -0.000001134 0.000000717 -0.000002437 20 1 0.000000163 -0.000000878 0.000002445 21 1 0.000001317 0.000000868 -0.000001540 22 1 0.000001238 0.000000222 0.000001490 23 1 -0.000001244 -0.000000450 -0.000000471 ------------------------------------------------------------------- Cartesian Forces: Max 0.000008661 RMS 0.000002024 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000004200 RMS 0.000000860 Search for a saddle point. Step number 1 out of a maximum of 138 All quantities printed in internal units (Hartrees-Bohrs-Radians) Swapping is turned off. Second derivative matrix not updated -- analytic derivatives used. ITU= 0 Eigenvalues --- -0.03189 0.00087 0.00111 0.00176 0.00430 Eigenvalues --- 0.00508 0.01274 0.01368 0.01441 0.01594 Eigenvalues --- 0.01688 0.01857 0.02067 0.02137 0.02234 Eigenvalues --- 0.02574 0.02661 0.03099 0.03272 0.03677 Eigenvalues --- 0.03991 0.04145 0.04595 0.04650 0.04939 Eigenvalues --- 0.05186 0.05246 0.05743 0.05913 0.06425 Eigenvalues --- 0.06813 0.07163 0.08898 0.09283 0.11253 Eigenvalues --- 0.11861 0.12445 0.12617 0.15481 0.16307 Eigenvalues --- 0.18369 0.18745 0.23372 0.24269 0.26917 Eigenvalues --- 0.27588 0.29672 0.30155 0.30786 0.32287 Eigenvalues --- 0.32448 0.32888 0.34623 0.35303 0.35333 Eigenvalues --- 0.35475 0.35566 0.36577 0.38194 0.38371 Eigenvalues --- 0.41332 0.41741 0.43946 Eigenvectors required to have negative eigenvalues: R11 R4 D5 D7 D35 1 -0.56541 -0.56534 -0.16959 0.16958 0.14496 D2 D11 D9 R2 D61 1 -0.14494 -0.11839 0.11837 0.11436 -0.11055 RFO step: Lambda0=6.092127150D-11 Lambda= 0.00000000D+00. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00008878 RMS(Int)= 0.00000001 Iteration 2 RMS(Cart)= 0.00000001 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.63219 0.00000 0.00000 0.00001 0.00001 2.63220 R2 2.62525 0.00000 0.00000 0.00000 0.00000 2.62525 R3 2.03575 0.00000 0.00000 0.00000 0.00000 2.03574 R4 4.37608 0.00000 0.00000 -0.00017 -0.00017 4.37590 R5 2.69179 0.00000 0.00000 0.00000 0.00000 2.69179 R6 2.07618 0.00000 0.00000 0.00000 0.00000 2.07618 R7 2.07491 0.00000 0.00000 0.00000 0.00000 2.07491 R8 2.69178 0.00000 0.00000 0.00002 0.00002 2.69179 R9 2.63220 0.00000 0.00000 0.00001 0.00001 2.63220 R10 2.03575 0.00000 0.00000 0.00000 0.00000 2.03574 R11 4.37569 0.00000 0.00000 0.00020 0.00020 4.37589 R12 4.44129 0.00000 0.00000 -0.00014 -0.00014 4.44116 R13 4.44082 0.00000 0.00000 0.00034 0.00034 4.44116 R14 2.66027 0.00000 0.00000 0.00000 0.00000 2.66027 R15 2.62030 0.00000 0.00000 -0.00001 -0.00001 2.62029 R16 2.05659 0.00000 0.00000 0.00000 0.00000 2.05659 R17 2.62030 0.00000 0.00000 0.00000 0.00000 2.62029 R18 2.05659 0.00000 0.00000 0.00000 0.00000 2.05659 R19 2.86317 0.00000 0.00000 0.00000 0.00000 2.86316 R20 2.05804 0.00000 0.00000 0.00000 0.00000 2.05804 R21 2.94453 0.00000 0.00000 0.00001 0.00001 2.94454 R22 2.07029 0.00000 0.00000 0.00000 0.00000 2.07028 R23 2.07660 0.00000 0.00000 0.00000 0.00000 2.07660 R24 2.86316 0.00000 0.00000 0.00000 0.00000 2.86316 R25 2.07028 0.00000 0.00000 0.00000 0.00000 2.07029 R26 2.07659 0.00000 0.00000 0.00000 0.00000 2.07660 R27 2.05805 0.00000 0.00000 0.00000 0.00000 2.05804 A1 1.90227 0.00000 0.00000 0.00001 0.00001 1.90228 A2 1.99453 0.00000 0.00000 -0.00001 -0.00001 1.99452 A3 1.86556 0.00000 0.00000 0.00001 0.00001 1.86557 A4 2.21855 0.00000 0.00000 -0.00001 -0.00001 2.21853 A5 1.86428 0.00000 0.00000 0.00002 0.00002 1.86429 A6 1.54415 0.00000 0.00000 -0.00002 -0.00002 1.54413 A7 1.86545 0.00000 0.00000 -0.00001 -0.00001 1.86544 A8 1.91789 0.00000 0.00000 0.00000 0.00000 1.91789 A9 1.91615 0.00000 0.00000 0.00000 0.00000 1.91615 A10 1.87432 0.00000 0.00000 0.00000 0.00000 1.87432 A11 1.92092 0.00000 0.00000 0.00000 0.00000 1.92092 A12 1.91789 0.00000 0.00000 0.00000 0.00000 1.91789 A13 1.91615 0.00000 0.00000 0.00000 0.00000 1.91615 A14 1.90229 0.00000 0.00000 -0.00001 -0.00001 1.90228 A15 2.21851 0.00000 0.00000 0.00002 0.00002 2.21853 A16 1.86432 0.00000 0.00000 -0.00002 -0.00002 1.86430 A17 1.99452 0.00000 0.00000 0.00000 0.00000 1.99452 A18 1.86551 0.00000 0.00000 0.00006 0.00006 1.86557 A19 1.54419 0.00000 0.00000 -0.00005 -0.00005 1.54414 A20 1.82400 0.00000 0.00000 -0.00002 -0.00002 1.82398 A21 1.82385 0.00000 0.00000 0.00013 0.00013 1.82398 A22 1.05555 0.00000 0.00000 -0.00002 -0.00002 1.05553 A23 1.86545 0.00000 0.00000 0.00000 0.00000 1.86544 A24 2.06742 0.00000 0.00000 -0.00001 -0.00001 2.06741 A25 2.09054 0.00000 0.00000 -0.00001 -0.00001 2.09053 A26 2.09938 0.00000 0.00000 0.00000 0.00000 2.09938 A27 2.06740 0.00000 0.00000 0.00001 0.00001 2.06741 A28 2.09054 0.00000 0.00000 -0.00001 -0.00001 2.09053 A29 2.09939 0.00000 0.00000 -0.00001 -0.00001 2.09938 A30 1.72739 0.00000 0.00000 -0.00005 -0.00005 1.72734 A31 1.63585 0.00000 0.00000 -0.00006 -0.00006 1.63579 A32 1.73921 0.00000 0.00000 0.00003 0.00003 1.73924 A33 2.09873 0.00000 0.00000 0.00004 0.00004 2.09878 A34 2.08083 0.00000 0.00000 -0.00002 -0.00002 2.08081 A35 2.01642 0.00000 0.00000 0.00001 0.00001 2.01644 A36 1.96753 0.00000 0.00000 -0.00001 -0.00001 1.96752 A37 1.91103 0.00000 0.00000 -0.00003 -0.00003 1.91100 A38 1.87943 0.00000 0.00000 0.00004 0.00004 1.87947 A39 1.94891 0.00000 0.00000 0.00002 0.00002 1.94893 A40 1.90728 0.00000 0.00000 0.00000 0.00000 1.90728 A41 1.84428 0.00000 0.00000 -0.00001 -0.00001 1.84427 A42 1.96751 0.00000 0.00000 0.00001 0.00001 1.96752 A43 1.94893 0.00000 0.00000 0.00000 0.00000 1.94893 A44 1.90729 0.00000 0.00000 -0.00001 -0.00001 1.90728 A45 1.91096 0.00000 0.00000 0.00003 0.00003 1.91100 A46 1.87951 0.00000 0.00000 -0.00004 -0.00004 1.87947 A47 1.84427 0.00000 0.00000 0.00000 0.00000 1.84427 A48 1.72733 0.00000 0.00000 0.00000 0.00000 1.72733 A49 1.63566 0.00000 0.00000 0.00012 0.00012 1.63578 A50 1.73932 0.00000 0.00000 -0.00008 -0.00008 1.73924 A51 2.09881 0.00000 0.00000 -0.00003 -0.00003 2.09878 A52 2.08081 0.00000 0.00000 0.00000 0.00000 2.08081 A53 2.01643 0.00000 0.00000 0.00001 0.00001 2.01644 A54 2.15558 0.00000 0.00000 0.00010 0.00010 2.15568 A55 2.15582 0.00000 0.00000 -0.00015 -0.00015 2.15568 D1 0.09889 0.00000 0.00000 0.00003 0.00003 0.09892 D2 2.69578 0.00000 0.00000 0.00002 0.00002 2.69580 D3 -1.91001 0.00000 0.00000 0.00000 0.00000 -1.91001 D4 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 D5 2.50761 0.00000 0.00000 0.00003 0.00003 2.50764 D6 -2.00971 0.00000 0.00000 -0.00004 -0.00004 -2.00976 D7 -2.50767 0.00000 0.00000 0.00002 0.00002 -2.50765 D8 -0.00005 0.00000 0.00000 0.00005 0.00005 0.00000 D9 1.76581 0.00000 0.00000 -0.00003 -0.00003 1.76578 D10 2.00972 0.00000 0.00000 0.00004 0.00004 2.00976 D11 -1.76585 0.00000 0.00000 0.00006 0.00006 -1.76579 D12 0.00002 0.00000 0.00000 -0.00002 -0.00002 0.00000 D13 3.02073 0.00000 0.00000 0.00007 0.00007 3.02080 D14 0.90147 0.00000 0.00000 0.00008 0.00008 0.90154 D15 -1.13520 0.00000 0.00000 0.00005 0.00005 -1.13514 D16 0.98647 0.00000 0.00000 0.00004 0.00004 0.98652 D17 -1.13279 0.00000 0.00000 0.00005 0.00005 -1.13274 D18 3.11373 0.00000 0.00000 0.00002 0.00002 3.11376 D19 -1.25628 0.00000 0.00000 0.00006 0.00006 -1.25622 D20 2.90764 0.00000 0.00000 0.00007 0.00007 2.90771 D21 0.87098 0.00000 0.00000 0.00004 0.00004 0.87102 D22 1.92726 0.00000 0.00000 -0.00006 -0.00006 1.92720 D23 -2.24086 0.00000 0.00000 -0.00006 -0.00006 -2.24092 D24 -0.15833 0.00000 0.00000 -0.00006 -0.00006 -0.15839 D25 -1.57646 0.00000 0.00000 0.00000 0.00000 -1.57646 D26 -0.48232 0.00000 0.00000 0.00000 0.00000 -0.48232 D27 2.59452 0.00000 0.00000 0.00000 0.00000 2.59452 D28 -2.59452 0.00000 0.00000 0.00000 0.00000 -2.59452 D29 0.48232 0.00000 0.00000 0.00000 0.00000 0.48232 D30 1.57646 0.00000 0.00000 0.00000 0.00000 1.57646 D31 0.15833 0.00000 0.00000 0.00006 0.00006 0.15839 D32 -1.92727 0.00000 0.00000 0.00007 0.00007 -1.92720 D33 2.24085 0.00000 0.00000 0.00007 0.00007 2.24092 D34 -0.09888 0.00000 0.00000 -0.00004 -0.00004 -0.09893 D35 -2.69572 0.00000 0.00000 -0.00007 -0.00007 -2.69579 D36 1.91005 0.00000 0.00000 -0.00004 -0.00004 1.91001 D37 -0.98654 0.00000 0.00000 0.00002 0.00002 -0.98652 D38 1.13270 0.00000 0.00000 0.00004 0.00004 1.13274 D39 -3.11380 0.00000 0.00000 0.00004 0.00004 -3.11376 D40 -3.02081 0.00000 0.00000 0.00001 0.00001 -3.02080 D41 -0.90157 0.00000 0.00000 0.00003 0.00003 -0.90154 D42 1.13511 0.00000 0.00000 0.00003 0.00003 1.13514 D43 1.25620 0.00000 0.00000 0.00002 0.00002 1.25621 D44 -2.90775 0.00000 0.00000 0.00004 0.00004 -2.90771 D45 -0.87107 0.00000 0.00000 0.00004 0.00004 -0.87103 D46 1.26758 0.00000 0.00000 0.00019 0.00019 1.26777 D47 -0.45446 0.00000 0.00000 0.00003 0.00003 -0.45443 D48 -1.26803 0.00000 0.00000 0.00026 0.00026 -1.26777 D49 0.45427 0.00000 0.00000 0.00016 0.00016 0.45443 D50 -0.00002 0.00000 0.00000 0.00002 0.00002 0.00000 D51 2.90004 0.00000 0.00000 -0.00002 -0.00002 2.90002 D52 -2.90009 0.00000 0.00000 0.00007 0.00007 -2.90002 D53 -0.00003 0.00000 0.00000 0.00003 0.00003 0.00000 D54 -1.13875 0.00000 0.00000 -0.00008 -0.00008 -1.13883 D55 0.60087 0.00000 0.00000 0.00005 0.00005 0.60092 D56 -2.99630 0.00000 0.00000 0.00001 0.00001 -2.99629 D57 1.76007 0.00000 0.00000 -0.00014 -0.00014 1.75993 D58 -2.78350 0.00000 0.00000 0.00000 0.00000 -2.78350 D59 -0.09749 0.00000 0.00000 -0.00004 -0.00004 -0.09753 D60 1.13888 0.00000 0.00000 -0.00005 -0.00005 1.13883 D61 -0.60098 0.00000 0.00000 0.00005 0.00005 -0.60093 D62 2.99635 0.00000 0.00000 -0.00005 -0.00005 2.99630 D63 -1.75991 0.00000 0.00000 -0.00001 -0.00001 -1.75993 D64 2.78341 0.00000 0.00000 0.00008 0.00008 2.78350 D65 0.09755 0.00000 0.00000 -0.00001 -0.00001 0.09754 D66 -1.22207 0.00000 0.00000 -0.00011 -0.00011 -1.22219 D67 0.95877 0.00000 0.00000 -0.00013 -0.00013 0.95864 D68 2.95595 0.00000 0.00000 -0.00014 -0.00014 2.95582 D69 0.56941 0.00000 0.00000 -0.00020 -0.00020 0.56921 D70 2.75026 0.00000 0.00000 -0.00022 -0.00022 2.75004 D71 -1.53575 0.00000 0.00000 -0.00023 -0.00023 -1.53597 D72 -3.01188 0.00000 0.00000 -0.00012 -0.00012 -3.01200 D73 -0.83104 0.00000 0.00000 -0.00013 -0.00013 -0.83118 D74 1.16614 0.00000 0.00000 -0.00014 -0.00014 1.16600 D75 -0.00026 0.00000 0.00000 0.00026 0.00026 0.00000 D76 2.15968 0.00000 0.00000 0.00031 0.00031 2.15999 D77 -2.08949 0.00000 0.00000 0.00031 0.00031 -2.08919 D78 -2.16030 0.00000 0.00000 0.00030 0.00030 -2.16000 D79 -0.00036 0.00000 0.00000 0.00035 0.00035 0.00000 D80 2.03365 0.00000 0.00000 0.00035 0.00035 2.03401 D81 2.08888 0.00000 0.00000 0.00030 0.00030 2.08918 D82 -2.03437 0.00000 0.00000 0.00035 0.00035 -2.03402 D83 -0.00035 0.00000 0.00000 0.00035 0.00035 0.00000 D84 -1.77111 0.00000 0.00000 -0.00013 -0.00013 -1.77124 D85 0.42048 0.00000 0.00000 -0.00016 -0.00016 0.42032 D86 2.49239 0.00000 0.00000 -0.00015 -0.00015 2.49224 D87 1.22232 0.00000 0.00000 -0.00013 -0.00013 1.22219 D88 -0.56900 0.00000 0.00000 -0.00020 -0.00020 -0.56920 D89 3.01217 0.00000 0.00000 -0.00016 -0.00016 3.01200 D90 -0.95848 0.00000 0.00000 -0.00016 -0.00016 -0.95864 D91 -2.74980 0.00000 0.00000 -0.00023 -0.00023 -2.75003 D92 0.83137 0.00000 0.00000 -0.00019 -0.00019 0.83118 D93 -2.95565 0.00000 0.00000 -0.00016 -0.00016 -2.95581 D94 1.53621 0.00000 0.00000 -0.00023 -0.00023 1.53598 D95 -1.16581 0.00000 0.00000 -0.00019 -0.00019 -1.16600 D96 -0.42002 0.00000 0.00000 -0.00029 -0.00029 -0.42031 D97 1.77150 0.00000 0.00000 -0.00026 -0.00026 1.77124 D98 -2.49195 0.00000 0.00000 -0.00028 -0.00028 -2.49223 Item Value Threshold Converged? Maximum Force 0.000004 0.000450 YES RMS Force 0.000001 0.000300 YES Maximum Displacement 0.000480 0.001800 YES RMS Displacement 0.000089 0.001200 YES Predicted change in Energy=-2.320241D-09 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.3929 -DE/DX = 0.0 ! ! R2 R(1,4) 1.3892 -DE/DX = 0.0 ! ! R3 R(1,9) 1.0773 -DE/DX = 0.0 ! ! R4 R(1,15) 2.3157 -DE/DX = 0.0 ! ! R5 R(2,3) 1.4244 -DE/DX = 0.0 ! ! R6 R(3,5) 1.0987 -DE/DX = 0.0 ! ! R7 R(3,6) 1.098 -DE/DX = 0.0 ! ! R8 R(3,7) 1.4244 -DE/DX = 0.0 ! ! R9 R(4,7) 1.3929 -DE/DX = 0.0 ! ! R10 R(4,8) 1.0773 -DE/DX = 0.0 ! ! R11 R(4,12) 2.3155 -DE/DX = 0.0 ! ! R12 R(5,19) 2.3502 -DE/DX = 0.0 ! ! R13 R(5,20) 2.35 -DE/DX = 0.0 ! ! R14 R(10,11) 1.4078 -DE/DX = 0.0 ! ! R15 R(10,15) 1.3866 -DE/DX = 0.0 ! ! R16 R(10,16) 1.0883 -DE/DX = 0.0 ! ! R17 R(11,12) 1.3866 -DE/DX = 0.0 ! ! R18 R(11,17) 1.0883 -DE/DX = 0.0 ! ! R19 R(12,13) 1.5151 -DE/DX = 0.0 ! ! R20 R(12,18) 1.0891 -DE/DX = 0.0 ! ! R21 R(13,14) 1.5582 -DE/DX = 0.0 ! ! R22 R(13,19) 1.0955 -DE/DX = 0.0 ! ! R23 R(13,22) 1.0989 -DE/DX = 0.0 ! ! R24 R(14,15) 1.5151 -DE/DX = 0.0 ! ! R25 R(14,20) 1.0955 -DE/DX = 0.0 ! ! R26 R(14,23) 1.0989 -DE/DX = 0.0 ! ! R27 R(15,21) 1.0891 -DE/DX = 0.0 ! ! A1 A(2,1,4) 108.9919 -DE/DX = 0.0 ! ! A2 A(2,1,9) 114.2779 -DE/DX = 0.0 ! ! A3 A(2,1,15) 106.8888 -DE/DX = 0.0 ! ! A4 A(4,1,9) 127.1134 -DE/DX = 0.0 ! ! A5 A(4,1,15) 106.8151 -DE/DX = 0.0 ! ! A6 A(9,1,15) 88.4734 -DE/DX = 0.0 ! ! A7 A(1,2,3) 106.8825 -DE/DX = 0.0 ! ! A8 A(2,3,5) 109.887 -DE/DX = 0.0 ! ! A9 A(2,3,6) 109.7872 -DE/DX = 0.0 ! ! A10 A(2,3,7) 107.3905 -DE/DX = 0.0 ! ! A11 A(5,3,6) 110.0604 -DE/DX = 0.0 ! ! A12 A(5,3,7) 109.8868 -DE/DX = 0.0 ! ! A13 A(6,3,7) 109.7874 -DE/DX = 0.0 ! ! A14 A(1,4,7) 108.9929 -DE/DX = 0.0 ! ! A15 A(1,4,8) 127.1113 -DE/DX = 0.0 ! ! A16 A(1,4,12) 106.8175 -DE/DX = 0.0 ! ! A17 A(7,4,8) 114.2775 -DE/DX = 0.0 ! ! A18 A(7,4,12) 106.8861 -DE/DX = 0.0 ! ! A19 A(8,4,12) 88.4755 -DE/DX = 0.0 ! ! A20 A(3,5,19) 104.5077 -DE/DX = 0.0 ! ! A21 A(3,5,20) 104.499 -DE/DX = 0.0 ! ! A22 A(19,5,20) 60.4785 -DE/DX = 0.0 ! ! A23 A(3,7,4) 106.8822 -DE/DX = 0.0 ! ! A24 A(11,10,15) 118.4545 -DE/DX = 0.0 ! ! A25 A(11,10,16) 119.7791 -DE/DX = 0.0 ! ! A26 A(15,10,16) 120.2855 -DE/DX = 0.0 ! ! A27 A(10,11,12) 118.4535 -DE/DX = 0.0 ! ! A28 A(10,11,17) 119.7791 -DE/DX = 0.0 ! ! A29 A(12,11,17) 120.2862 -DE/DX = 0.0 ! ! A30 A(4,12,11) 98.972 -DE/DX = 0.0 ! ! A31 A(4,12,13) 93.7273 -DE/DX = 0.0 ! ! A32 A(4,12,18) 99.6492 -DE/DX = 0.0 ! ! A33 A(11,12,13) 120.2487 -DE/DX = 0.0 ! ! A34 A(11,12,18) 119.2228 -DE/DX = 0.0 ! ! A35 A(13,12,18) 115.5326 -DE/DX = 0.0 ! ! A36 A(12,13,14) 112.7311 -DE/DX = 0.0 ! ! A37 A(12,13,19) 109.494 -DE/DX = 0.0 ! ! A38 A(12,13,22) 107.6833 -DE/DX = 0.0 ! ! A39 A(14,13,19) 111.6644 -DE/DX = 0.0 ! ! A40 A(14,13,22) 109.2789 -DE/DX = 0.0 ! ! A41 A(19,13,22) 105.6695 -DE/DX = 0.0 ! ! A42 A(13,14,15) 112.7299 -DE/DX = 0.0 ! ! A43 A(13,14,20) 111.6654 -DE/DX = 0.0 ! ! A44 A(13,14,23) 109.2795 -DE/DX = 0.0 ! ! A45 A(15,14,20) 109.4901 -DE/DX = 0.0 ! ! A46 A(15,14,23) 107.6878 -DE/DX = 0.0 ! ! A47 A(20,14,23) 105.6688 -DE/DX = 0.0 ! ! A48 A(1,15,10) 98.9688 -DE/DX = 0.0 ! ! A49 A(1,15,14) 93.7167 -DE/DX = 0.0 ! ! A50 A(1,15,21) 99.6556 -DE/DX = 0.0 ! ! A51 A(10,15,14) 120.2529 -DE/DX = 0.0 ! ! A52 A(10,15,21) 119.2216 -DE/DX = 0.0 ! ! A53 A(14,15,21) 115.5329 -DE/DX = 0.0 ! ! A54 A(5,19,13) 123.5056 -DE/DX = 0.0 ! ! A55 A(5,20,14) 123.5196 -DE/DX = 0.0 ! ! D1 D(4,1,2,3) 5.6661 -DE/DX = 0.0 ! ! D2 D(9,1,2,3) 154.4569 -DE/DX = 0.0 ! ! D3 D(15,1,2,3) -109.4353 -DE/DX = 0.0 ! ! D4 D(2,1,4,7) -0.0004 -DE/DX = 0.0 ! ! D5 D(2,1,4,8) 143.6755 -DE/DX = 0.0 ! ! D6 D(2,1,4,12) -115.148 -DE/DX = 0.0 ! ! D7 D(9,1,4,7) -143.6788 -DE/DX = 0.0 ! ! D8 D(9,1,4,8) -0.0028 -DE/DX = 0.0 ! ! D9 D(9,1,4,12) 101.1737 -DE/DX = 0.0 ! ! D10 D(15,1,4,7) 115.1486 -DE/DX = 0.0 ! ! D11 D(15,1,4,8) -101.1755 -DE/DX = 0.0 ! ! D12 D(15,1,4,12) 0.001 -DE/DX = 0.0 ! ! D13 D(2,1,15,10) 173.0751 -DE/DX = 0.0 ! ! D14 D(2,1,15,14) 51.6502 -DE/DX = 0.0 ! ! D15 D(2,1,15,21) -65.0419 -DE/DX = 0.0 ! ! D16 D(4,1,15,10) 56.5207 -DE/DX = 0.0 ! ! D17 D(4,1,15,14) -64.9042 -DE/DX = 0.0 ! ! D18 D(4,1,15,21) 178.4037 -DE/DX = 0.0 ! ! D19 D(9,1,15,10) -71.9793 -DE/DX = 0.0 ! ! D20 D(9,1,15,14) 166.5958 -DE/DX = 0.0 ! ! D21 D(9,1,15,21) 49.9037 -DE/DX = 0.0 ! ! D22 D(1,2,3,5) 110.4241 -DE/DX = 0.0 ! ! D23 D(1,2,3,6) -128.3916 -DE/DX = 0.0 ! ! D24 D(1,2,3,7) -9.0717 -DE/DX = 0.0 ! ! D25 D(2,3,5,19) -90.3246 -DE/DX = 0.0 ! ! D26 D(2,3,5,20) -27.6348 -DE/DX = 0.0 ! ! D27 D(6,3,5,19) 148.6552 -DE/DX = 0.0 ! ! D28 D(6,3,5,20) -148.655 -DE/DX = 0.0 ! ! D29 D(7,3,5,19) 27.6348 -DE/DX = 0.0 ! ! D30 D(7,3,5,20) 90.3247 -DE/DX = 0.0 ! ! D31 D(2,3,7,4) 9.0714 -DE/DX = 0.0 ! ! D32 D(5,3,7,4) -110.4244 -DE/DX = 0.0 ! ! D33 D(6,3,7,4) 128.3912 -DE/DX = 0.0 ! ! D34 D(1,4,7,3) -5.6656 -DE/DX = 0.0 ! ! D35 D(8,4,7,3) -154.4535 -DE/DX = 0.0 ! ! D36 D(12,4,7,3) 109.4377 -DE/DX = 0.0 ! ! D37 D(1,4,12,11) -56.5244 -DE/DX = 0.0 ! ! D38 D(1,4,12,13) 64.8992 -DE/DX = 0.0 ! ! D39 D(1,4,12,18) -178.4076 -DE/DX = 0.0 ! ! D40 D(7,4,12,11) -173.0798 -DE/DX = 0.0 ! ! D41 D(7,4,12,13) -51.6562 -DE/DX = 0.0 ! ! D42 D(7,4,12,18) 65.037 -DE/DX = 0.0 ! ! D43 D(8,4,12,11) 71.9748 -DE/DX = 0.0 ! ! D44 D(8,4,12,13) -166.6017 -DE/DX = 0.0 ! ! D45 D(8,4,12,18) -49.9085 -DE/DX = 0.0 ! ! D46 D(3,5,19,13) 72.6271 -DE/DX = 0.0 ! ! D47 D(20,5,19,13) -26.0384 -DE/DX = 0.0 ! ! D48 D(3,5,20,14) -72.6528 -DE/DX = 0.0 ! ! D49 D(19,5,20,14) 26.0275 -DE/DX = 0.0 ! ! D50 D(15,10,11,12) -0.0011 -DE/DX = 0.0 ! ! D51 D(15,10,11,17) 166.16 -DE/DX = 0.0 ! ! D52 D(16,10,11,12) -166.1631 -DE/DX = 0.0 ! ! D53 D(16,10,11,17) -0.002 -DE/DX = 0.0 ! ! D54 D(11,10,15,1) -65.2454 -DE/DX = 0.0 ! ! D55 D(11,10,15,14) 34.4275 -DE/DX = 0.0 ! ! D56 D(11,10,15,21) -171.6755 -DE/DX = 0.0 ! ! D57 D(16,10,15,1) 100.8443 -DE/DX = 0.0 ! ! D58 D(16,10,15,14) -159.4828 -DE/DX = 0.0 ! ! D59 D(16,10,15,21) -5.5858 -DE/DX = 0.0 ! ! D60 D(10,11,12,4) 65.253 -DE/DX = 0.0 ! ! D61 D(10,11,12,13) -34.4334 -DE/DX = 0.0 ! ! D62 D(10,11,12,18) 171.6779 -DE/DX = 0.0 ! ! D63 D(17,11,12,4) -100.8356 -DE/DX = 0.0 ! ! D64 D(17,11,12,13) 159.4779 -DE/DX = 0.0 ! ! D65 D(17,11,12,18) 5.5892 -DE/DX = 0.0 ! ! D66 D(4,12,13,14) -70.0196 -DE/DX = 0.0 ! ! D67 D(4,12,13,19) 54.9335 -DE/DX = 0.0 ! ! D68 D(4,12,13,22) 169.3636 -DE/DX = 0.0 ! ! D69 D(11,12,13,14) 32.6251 -DE/DX = 0.0 ! ! D70 D(11,12,13,19) 157.5782 -DE/DX = 0.0 ! ! D71 D(11,12,13,22) -87.9917 -DE/DX = 0.0 ! ! D72 D(18,12,13,14) -172.5682 -DE/DX = 0.0 ! ! D73 D(18,12,13,19) -47.6151 -DE/DX = 0.0 ! ! D74 D(18,12,13,22) 66.815 -DE/DX = 0.0 ! ! D75 D(12,13,14,15) -0.0151 -DE/DX = 0.0 ! ! D76 D(12,13,14,20) 123.7405 -DE/DX = 0.0 ! ! D77 D(12,13,14,23) -119.7192 -DE/DX = 0.0 ! ! D78 D(19,13,14,15) -123.7761 -DE/DX = 0.0 ! ! D79 D(19,13,14,20) -0.0205 -DE/DX = 0.0 ! ! D80 D(19,13,14,23) 116.5198 -DE/DX = 0.0 ! ! D81 D(22,13,14,15) 119.6838 -DE/DX = 0.0 ! ! D82 D(22,13,14,20) -116.5606 -DE/DX = 0.0 ! ! D83 D(22,13,14,23) -0.0203 -DE/DX = 0.0 ! ! D84 D(12,13,19,5) -101.4771 -DE/DX = 0.0 ! ! D85 D(14,13,19,5) 24.0916 -DE/DX = 0.0 ! ! D86 D(22,13,19,5) 142.8034 -DE/DX = 0.0 ! ! D87 D(13,14,15,1) 70.0339 -DE/DX = 0.0 ! ! D88 D(13,14,15,10) -32.6013 -DE/DX = 0.0 ! ! D89 D(13,14,15,21) 172.5844 -DE/DX = 0.0 ! ! D90 D(20,14,15,1) -54.9167 -DE/DX = 0.0 ! ! D91 D(20,14,15,10) -157.5519 -DE/DX = 0.0 ! ! D92 D(20,14,15,21) 47.6338 -DE/DX = 0.0 ! ! D93 D(23,14,15,1) -169.3464 -DE/DX = 0.0 ! ! D94 D(23,14,15,10) 88.0184 -DE/DX = 0.0 ! ! D95 D(23,14,15,21) -66.7959 -DE/DX = 0.0 ! ! D96 D(13,14,20,5) -24.0656 -DE/DX = 0.0 ! ! D97 D(15,14,20,5) 101.4994 -DE/DX = 0.0 ! ! D98 D(23,14,20,5) -142.7781 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.758504 -0.694531 -0.971068 2 8 0 1.815882 -1.147917 -0.185857 3 6 0 2.404057 -0.000057 0.418696 4 6 0 0.758510 0.694690 -0.970919 5 1 0 2.199800 -0.000171 1.498211 6 1 0 3.487479 -0.000038 0.240386 7 8 0 1.815881 1.147922 -0.185608 8 1 0 0.506248 1.344767 -1.792061 9 1 0 0.506202 -1.344461 -1.792316 10 6 0 -2.109700 -0.703736 -0.726715 11 6 0 -2.109578 0.704018 -0.726612 12 6 0 -1.193917 1.364520 0.078351 13 6 0 -0.792332 0.778928 1.416786 14 6 0 -0.792258 -0.779250 1.416604 15 6 0 -1.194144 -1.364536 0.078129 16 1 0 -2.649432 -1.244145 -1.501985 17 1 0 -2.649189 1.244634 -1.501821 18 1 0 -1.088432 2.444690 -0.012087 19 1 0 0.181002 1.183383 1.715559 20 1 0 0.181211 -1.183699 1.714932 21 1 0 -1.088848 -2.444708 -0.012524 22 1 0 -1.507688 1.141623 2.167966 23 1 0 -1.507310 -1.142198 2.167950 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 O 1.392897 0.000000 3 C 2.263091 1.424436 0.000000 4 C 1.389221 2.264853 2.263079 0.000000 5 H 2.942246 2.073837 1.098669 2.942236 0.000000 6 H 3.065493 2.072087 1.097997 3.065482 1.800067 7 O 2.264868 2.295839 1.424426 1.392898 2.073827 8 H 2.212781 3.241683 3.208999 1.077270 3.937368 9 H 1.077271 2.081971 3.209026 2.212801 3.937380 10 C 2.878609 3.987483 4.709685 3.200291 4.900723 11 C 3.200249 4.373936 4.709602 2.878489 4.900659 12 C 3.025379 3.929508 3.863072 2.315515 3.923735 13 C 3.205935 3.617178 3.438009 2.848393 3.092973 14 C 2.848336 3.083211 3.437934 3.205877 3.092901 15 C 2.315719 3.029335 3.863268 3.025520 3.923899 16 H 3.492560 4.656230 5.547479 3.956663 5.836411 17 H 3.956568 5.233825 5.547336 3.492379 5.836302 18 H 3.766368 4.622993 4.284839 2.719017 4.367014 19 H 3.328368 3.423912 2.832730 2.790968 2.350231 20 H 2.790546 2.507275 2.832363 3.327975 2.349980 21 H 2.719308 3.185776 4.285167 3.766573 4.367297 22 H 4.284930 4.672108 4.434538 3.897179 3.936716 23 H 3.897147 4.072351 4.434317 4.284927 3.936425 6 7 8 9 10 6 H 0.000000 7 O 2.072082 0.000000 8 H 3.850595 2.081965 0.000000 9 H 3.850632 3.241719 2.689228 0.000000 10 C 5.723538 4.373971 3.489199 2.896373 0.000000 11 C 5.723445 3.987351 2.896254 3.489168 1.407754 12 C 4.878908 3.029104 2.527725 3.705183 2.400932 13 C 4.506383 3.083277 3.507589 4.061195 2.920333 14 C 4.506308 3.617107 4.061169 3.507510 2.516977 15 C 4.879116 3.929663 3.705302 2.527873 1.386605 16 H 6.499641 5.233914 4.092056 3.170549 1.088300 17 H 6.499476 4.656030 3.170339 4.091979 2.165175 18 H 5.194170 3.185396 2.630806 4.479926 3.386188 19 H 3.809122 2.507693 3.526362 4.336005 3.843597 20 H 3.808772 3.423544 4.335642 3.525940 3.382348 21 H 5.194530 4.623245 4.480090 2.631043 2.140839 22 H 5.474545 4.072525 4.447361 5.091188 3.485247 23 H 5.474299 4.671989 5.091277 4.447342 2.989015 11 12 13 14 15 11 C 0.000000 12 C 1.386601 0.000000 13 C 2.516923 1.515123 0.000000 14 C 2.920409 2.558906 1.558178 0.000000 15 C 2.400946 2.729056 2.558885 1.515120 0.000000 16 H 2.165175 3.379515 4.007601 3.490471 2.151538 17 H 1.088299 2.151542 3.490425 4.007681 3.379522 18 H 2.140847 1.089070 2.214524 3.538738 3.811760 19 H 3.382417 2.145615 1.095549 2.211004 3.326273 20 H 3.843478 3.326078 2.211014 1.095546 2.145560 21 H 3.386191 3.811760 3.538740 2.214525 1.089072 22 H 2.988704 2.124765 1.098887 2.183149 3.278195 23 H 3.485646 3.278456 2.183155 1.098886 2.124820 16 17 18 19 20 16 H 0.000000 17 H 2.488779 0.000000 18 H 4.273643 2.468887 0.000000 19 H 4.925123 4.285472 2.487392 0.000000 20 H 4.285411 4.924984 4.214237 2.367082 0.000000 21 H 2.468860 4.273630 4.889398 4.214479 2.487428 22 H 4.523716 3.844603 2.574178 1.748740 2.909423 23 H 3.844900 4.524166 4.218268 2.909189 1.748728 21 22 23 21 H 0.000000 22 H 4.218025 0.000000 23 H 2.574123 2.283821 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 0.758504 -0.694531 -0.971068 2 8 0 1.815882 -1.147917 -0.185857 3 6 0 2.404057 -0.000056 0.418696 4 6 0 0.758510 0.694690 -0.970919 5 1 0 2.199800 -0.000170 1.498211 6 1 0 3.487479 -0.000037 0.240386 7 8 0 1.815881 1.147922 -0.185608 8 1 0 0.506248 1.344767 -1.792061 9 1 0 0.506202 -1.344461 -1.792316 10 6 0 -2.109700 -0.703736 -0.726715 11 6 0 -2.109578 0.704018 -0.726612 12 6 0 -1.193917 1.364520 0.078351 13 6 0 -0.792332 0.778928 1.416786 14 6 0 -0.792258 -0.779250 1.416604 15 6 0 -1.194144 -1.364536 0.078129 16 1 0 -2.649432 -1.244145 -1.501985 17 1 0 -2.649189 1.244634 -1.501821 18 1 0 -1.088432 2.444690 -0.012087 19 1 0 0.181002 1.183383 1.715559 20 1 0 0.181211 -1.183699 1.714932 21 1 0 -1.088848 -2.444708 -0.012524 22 1 0 -1.507688 1.141623 2.167966 23 1 0 -1.507310 -1.142198 2.167950 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9100593 1.0127504 0.9486912 1|1| IMPERIAL COLLEGE-CHWS-272|FTS|RB3LYP|6-31G(d)|C9H12O2|JAG115|17-N ov-2017|0||# opt=(calcfc,ts,noeigen) freq b3lyp/6-31g(d) geom=connecti vity integral=grid=ultrafine pop=full gfprint||Title Card Required||0, 1|C,0.758504,-0.694531,-0.971068|O,1.815882,-1.147917,-0.185857|C,2.40 4057,-0.000057,0.418696|C,0.75851,0.69469,-0.970919|H,2.1998,-0.000171 ,1.498211|H,3.487479,-0.000038,0.240386|O,1.815881,1.147922,-0.185608| H,0.506248,1.344767,-1.792061|H,0.506202,-1.344461,-1.792316|C,-2.1097 ,-0.703736,-0.726715|C,-2.109578,0.704018,-0.726612|C,-1.193917,1.3645 2,0.078351|C,-0.792332,0.778928,1.416786|C,-0.792258,-0.77925,1.416604 |C,-1.194144,-1.364536,0.078129|H,-2.649432,-1.244145,-1.501985|H,-2.6 49189,1.244634,-1.501821|H,-1.088432,2.44469,-0.012087|H,0.181002,1.18 3383,1.715559|H,0.181211,-1.183699,1.714932|H,-1.088848,-2.444708,-0.0 12524|H,-1.507688,1.141623,2.167966|H,-1.50731,-1.142198,2.16795||Vers ion=EM64W-G09RevD.01|State=1-A|HF=-500.488669|RMSD=4.852e-009|RMSF=2.0 24e-006|Dipole=0.1144896,0.0000247,-0.0984918|Polar=0.,0.,0.,0.,0.,0.| Quadrupole=-1.1818468,-1.3270171,2.5088639,0.0000388,1.9274337,-0.0004 526|PG=C01 [X(C9H12O2)]||@ IT IS A SIMPLE TASK TO MAKE THINGS COMPLEX, BUT A COMPLEX TASK TO MAKE THEM SIMPLE. Job cpu time: 0 days 0 hours 10 minutes 19.0 seconds. File lengths (MBytes): RWF= 102 Int= 0 D2E= 0 Chk= 4 Scr= 1 Normal termination of Gaussian 09 at Fri Nov 17 16:11:24 2017. Link1: Proceeding to internal job step number 2. -------------------------------------------------------------------- #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-31G(d) Freq -------------------------------------------------------------------- 1/5=1,10=4,11=1,29=7,30=1,38=1,40=1/1,3; 2/12=2,40=1/2; 3/5=1,6=6,7=1,11=2,14=-4,16=1,24=100,25=1,30=1,70=2,71=2,74=-5,75=-5,116=1,140=1/1,2,3; 4/5=101/1; 5/5=2,98=1/2; 8/6=4,10=90,11=11/1; 11/6=1,8=1,9=11,15=111,16=1/1,2,10; 10/6=1/2; 6/7=3,18=1,28=1/1; 7/8=1,10=1,25=1/1,2,3,16; 1/5=1,10=4,11=1,30=1/3; 99//99; Structure from the checkpoint file: "\\icnas1.cc.ic.ac.uk\jag115\Desktop\transition_state_lab\two\exo_ts_b3lyp631gd_MOs.chk" ------------------- Title Card Required ------------------- Charge = 0 Multiplicity = 1 Redundant internal coordinates found in file. C,0,0.758504,-0.694531,-0.971068 O,0,1.815882,-1.147917,-0.185857 C,0,2.404057,-0.000057,0.418696 C,0,0.75851,0.69469,-0.970919 H,0,2.1998,-0.000171,1.498211 H,0,3.487479,-0.000038,0.240386 O,0,1.815881,1.147922,-0.185608 H,0,0.506248,1.344767,-1.792061 H,0,0.506202,-1.344461,-1.792316 C,0,-2.1097,-0.703736,-0.726715 C,0,-2.109578,0.704018,-0.726612 C,0,-1.193917,1.36452,0.078351 C,0,-0.792332,0.778928,1.416786 C,0,-0.792258,-0.77925,1.416604 C,0,-1.194144,-1.364536,0.078129 H,0,-2.649432,-1.244145,-1.501985 H,0,-2.649189,1.244634,-1.501821 H,0,-1.088432,2.44469,-0.012087 H,0,0.181002,1.183383,1.715559 H,0,0.181211,-1.183699,1.714932 H,0,-1.088848,-2.444708,-0.012524 H,0,-1.507688,1.141623,2.167966 H,0,-1.50731,-1.142198,2.16795 Recover connectivity data from disk. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.3929 calculate D2E/DX2 analytically ! ! R2 R(1,4) 1.3892 calculate D2E/DX2 analytically ! ! R3 R(1,9) 1.0773 calculate D2E/DX2 analytically ! ! R4 R(1,15) 2.3157 calculate D2E/DX2 analytically ! ! R5 R(2,3) 1.4244 calculate D2E/DX2 analytically ! ! R6 R(3,5) 1.0987 calculate D2E/DX2 analytically ! ! R7 R(3,6) 1.098 calculate D2E/DX2 analytically ! ! R8 R(3,7) 1.4244 calculate D2E/DX2 analytically ! ! R9 R(4,7) 1.3929 calculate D2E/DX2 analytically ! ! R10 R(4,8) 1.0773 calculate D2E/DX2 analytically ! ! R11 R(4,12) 2.3155 calculate D2E/DX2 analytically ! ! R12 R(5,19) 2.3502 calculate D2E/DX2 analytically ! ! R13 R(5,20) 2.35 calculate D2E/DX2 analytically ! ! R14 R(10,11) 1.4078 calculate D2E/DX2 analytically ! ! R15 R(10,15) 1.3866 calculate D2E/DX2 analytically ! ! R16 R(10,16) 1.0883 calculate D2E/DX2 analytically ! ! R17 R(11,12) 1.3866 calculate D2E/DX2 analytically ! ! R18 R(11,17) 1.0883 calculate D2E/DX2 analytically ! ! R19 R(12,13) 1.5151 calculate D2E/DX2 analytically ! ! R20 R(12,18) 1.0891 calculate D2E/DX2 analytically ! ! R21 R(13,14) 1.5582 calculate D2E/DX2 analytically ! ! R22 R(13,19) 1.0955 calculate D2E/DX2 analytically ! ! R23 R(13,22) 1.0989 calculate D2E/DX2 analytically ! ! R24 R(14,15) 1.5151 calculate D2E/DX2 analytically ! ! R25 R(14,20) 1.0955 calculate D2E/DX2 analytically ! ! R26 R(14,23) 1.0989 calculate D2E/DX2 analytically ! ! R27 R(15,21) 1.0891 calculate D2E/DX2 analytically ! ! A1 A(2,1,4) 108.9919 calculate D2E/DX2 analytically ! ! A2 A(2,1,9) 114.2779 calculate D2E/DX2 analytically ! ! A3 A(2,1,15) 106.8888 calculate D2E/DX2 analytically ! ! A4 A(4,1,9) 127.1134 calculate D2E/DX2 analytically ! ! A5 A(4,1,15) 106.8151 calculate D2E/DX2 analytically ! ! A6 A(9,1,15) 88.4734 calculate D2E/DX2 analytically ! ! A7 A(1,2,3) 106.8825 calculate D2E/DX2 analytically ! ! A8 A(2,3,5) 109.887 calculate D2E/DX2 analytically ! ! A9 A(2,3,6) 109.7872 calculate D2E/DX2 analytically ! ! A10 A(2,3,7) 107.3905 calculate D2E/DX2 analytically ! ! A11 A(5,3,6) 110.0604 calculate D2E/DX2 analytically ! ! A12 A(5,3,7) 109.8868 calculate D2E/DX2 analytically ! ! A13 A(6,3,7) 109.7874 calculate D2E/DX2 analytically ! ! A14 A(1,4,7) 108.9929 calculate D2E/DX2 analytically ! ! A15 A(1,4,8) 127.1113 calculate D2E/DX2 analytically ! ! A16 A(1,4,12) 106.8175 calculate D2E/DX2 analytically ! ! A17 A(7,4,8) 114.2775 calculate D2E/DX2 analytically ! ! A18 A(7,4,12) 106.8861 calculate D2E/DX2 analytically ! ! A19 A(8,4,12) 88.4755 calculate D2E/DX2 analytically ! ! A20 A(3,5,19) 104.5077 calculate D2E/DX2 analytically ! ! A21 A(3,5,20) 104.499 calculate D2E/DX2 analytically ! ! A22 A(19,5,20) 60.4785 calculate D2E/DX2 analytically ! ! A23 A(3,7,4) 106.8822 calculate D2E/DX2 analytically ! ! A24 A(11,10,15) 118.4545 calculate D2E/DX2 analytically ! ! A25 A(11,10,16) 119.7791 calculate D2E/DX2 analytically ! ! A26 A(15,10,16) 120.2855 calculate D2E/DX2 analytically ! ! A27 A(10,11,12) 118.4535 calculate D2E/DX2 analytically ! ! A28 A(10,11,17) 119.7791 calculate D2E/DX2 analytically ! ! A29 A(12,11,17) 120.2862 calculate D2E/DX2 analytically ! ! A30 A(4,12,11) 98.972 calculate D2E/DX2 analytically ! ! A31 A(4,12,13) 93.7273 calculate D2E/DX2 analytically ! ! A32 A(4,12,18) 99.6492 calculate D2E/DX2 analytically ! ! A33 A(11,12,13) 120.2487 calculate D2E/DX2 analytically ! ! A34 A(11,12,18) 119.2228 calculate D2E/DX2 analytically ! ! A35 A(13,12,18) 115.5326 calculate D2E/DX2 analytically ! ! A36 A(12,13,14) 112.7311 calculate D2E/DX2 analytically ! ! A37 A(12,13,19) 109.494 calculate D2E/DX2 analytically ! ! A38 A(12,13,22) 107.6833 calculate D2E/DX2 analytically ! ! A39 A(14,13,19) 111.6644 calculate D2E/DX2 analytically ! ! A40 A(14,13,22) 109.2789 calculate D2E/DX2 analytically ! ! A41 A(19,13,22) 105.6695 calculate D2E/DX2 analytically ! ! A42 A(13,14,15) 112.7299 calculate D2E/DX2 analytically ! ! A43 A(13,14,20) 111.6654 calculate D2E/DX2 analytically ! ! A44 A(13,14,23) 109.2795 calculate D2E/DX2 analytically ! ! A45 A(15,14,20) 109.4901 calculate D2E/DX2 analytically ! ! A46 A(15,14,23) 107.6878 calculate D2E/DX2 analytically ! ! A47 A(20,14,23) 105.6688 calculate D2E/DX2 analytically ! ! A48 A(1,15,10) 98.9688 calculate D2E/DX2 analytically ! ! A49 A(1,15,14) 93.7167 calculate D2E/DX2 analytically ! ! A50 A(1,15,21) 99.6556 calculate D2E/DX2 analytically ! ! A51 A(10,15,14) 120.2529 calculate D2E/DX2 analytically ! ! A52 A(10,15,21) 119.2216 calculate D2E/DX2 analytically ! ! A53 A(14,15,21) 115.5329 calculate D2E/DX2 analytically ! ! A54 A(5,19,13) 123.5056 calculate D2E/DX2 analytically ! ! A55 A(5,20,14) 123.5196 calculate D2E/DX2 analytically ! ! D1 D(4,1,2,3) 5.6661 calculate D2E/DX2 analytically ! ! D2 D(9,1,2,3) 154.4569 calculate D2E/DX2 analytically ! ! D3 D(15,1,2,3) -109.4353 calculate D2E/DX2 analytically ! ! D4 D(2,1,4,7) -0.0004 calculate D2E/DX2 analytically ! ! D5 D(2,1,4,8) 143.6755 calculate D2E/DX2 analytically ! ! D6 D(2,1,4,12) -115.148 calculate D2E/DX2 analytically ! ! D7 D(9,1,4,7) -143.6788 calculate D2E/DX2 analytically ! ! D8 D(9,1,4,8) -0.0028 calculate D2E/DX2 analytically ! ! D9 D(9,1,4,12) 101.1737 calculate D2E/DX2 analytically ! ! D10 D(15,1,4,7) 115.1486 calculate D2E/DX2 analytically ! ! D11 D(15,1,4,8) -101.1755 calculate D2E/DX2 analytically ! ! D12 D(15,1,4,12) 0.001 calculate D2E/DX2 analytically ! ! D13 D(2,1,15,10) 173.0751 calculate D2E/DX2 analytically ! ! D14 D(2,1,15,14) 51.6502 calculate D2E/DX2 analytically ! ! D15 D(2,1,15,21) -65.0419 calculate D2E/DX2 analytically ! ! D16 D(4,1,15,10) 56.5207 calculate D2E/DX2 analytically ! ! D17 D(4,1,15,14) -64.9042 calculate D2E/DX2 analytically ! ! D18 D(4,1,15,21) 178.4037 calculate D2E/DX2 analytically ! ! D19 D(9,1,15,10) -71.9793 calculate D2E/DX2 analytically ! ! D20 D(9,1,15,14) 166.5958 calculate D2E/DX2 analytically ! ! D21 D(9,1,15,21) 49.9037 calculate D2E/DX2 analytically ! ! D22 D(1,2,3,5) 110.4241 calculate D2E/DX2 analytically ! ! D23 D(1,2,3,6) -128.3916 calculate D2E/DX2 analytically ! ! D24 D(1,2,3,7) -9.0717 calculate D2E/DX2 analytically ! ! D25 D(2,3,5,19) -90.3246 calculate D2E/DX2 analytically ! ! D26 D(2,3,5,20) -27.6348 calculate D2E/DX2 analytically ! ! D27 D(6,3,5,19) 148.6552 calculate D2E/DX2 analytically ! ! D28 D(6,3,5,20) -148.655 calculate D2E/DX2 analytically ! ! D29 D(7,3,5,19) 27.6348 calculate D2E/DX2 analytically ! ! D30 D(7,3,5,20) 90.3247 calculate D2E/DX2 analytically ! ! D31 D(2,3,7,4) 9.0714 calculate D2E/DX2 analytically ! ! D32 D(5,3,7,4) -110.4244 calculate D2E/DX2 analytically ! ! D33 D(6,3,7,4) 128.3912 calculate D2E/DX2 analytically ! ! D34 D(1,4,7,3) -5.6656 calculate D2E/DX2 analytically ! ! D35 D(8,4,7,3) -154.4535 calculate D2E/DX2 analytically ! ! D36 D(12,4,7,3) 109.4377 calculate D2E/DX2 analytically ! ! D37 D(1,4,12,11) -56.5244 calculate D2E/DX2 analytically ! ! D38 D(1,4,12,13) 64.8992 calculate D2E/DX2 analytically ! ! D39 D(1,4,12,18) -178.4076 calculate D2E/DX2 analytically ! ! D40 D(7,4,12,11) -173.0798 calculate D2E/DX2 analytically ! ! D41 D(7,4,12,13) -51.6562 calculate D2E/DX2 analytically ! ! D42 D(7,4,12,18) 65.037 calculate D2E/DX2 analytically ! ! D43 D(8,4,12,11) 71.9748 calculate D2E/DX2 analytically ! ! D44 D(8,4,12,13) -166.6017 calculate D2E/DX2 analytically ! ! D45 D(8,4,12,18) -49.9085 calculate D2E/DX2 analytically ! ! D46 D(3,5,19,13) 72.6271 calculate D2E/DX2 analytically ! ! D47 D(20,5,19,13) -26.0384 calculate D2E/DX2 analytically ! ! D48 D(3,5,20,14) -72.6528 calculate D2E/DX2 analytically ! ! D49 D(19,5,20,14) 26.0275 calculate D2E/DX2 analytically ! ! D50 D(15,10,11,12) -0.0011 calculate D2E/DX2 analytically ! ! D51 D(15,10,11,17) 166.16 calculate D2E/DX2 analytically ! ! D52 D(16,10,11,12) -166.1631 calculate D2E/DX2 analytically ! ! D53 D(16,10,11,17) -0.002 calculate D2E/DX2 analytically ! ! D54 D(11,10,15,1) -65.2454 calculate D2E/DX2 analytically ! ! D55 D(11,10,15,14) 34.4275 calculate D2E/DX2 analytically ! ! D56 D(11,10,15,21) -171.6755 calculate D2E/DX2 analytically ! ! D57 D(16,10,15,1) 100.8443 calculate D2E/DX2 analytically ! ! D58 D(16,10,15,14) -159.4828 calculate D2E/DX2 analytically ! ! D59 D(16,10,15,21) -5.5858 calculate D2E/DX2 analytically ! ! D60 D(10,11,12,4) 65.253 calculate D2E/DX2 analytically ! ! D61 D(10,11,12,13) -34.4334 calculate D2E/DX2 analytically ! ! D62 D(10,11,12,18) 171.6779 calculate D2E/DX2 analytically ! ! D63 D(17,11,12,4) -100.8356 calculate D2E/DX2 analytically ! ! D64 D(17,11,12,13) 159.4779 calculate D2E/DX2 analytically ! ! D65 D(17,11,12,18) 5.5892 calculate D2E/DX2 analytically ! ! D66 D(4,12,13,14) -70.0196 calculate D2E/DX2 analytically ! ! D67 D(4,12,13,19) 54.9335 calculate D2E/DX2 analytically ! ! D68 D(4,12,13,22) 169.3636 calculate D2E/DX2 analytically ! ! D69 D(11,12,13,14) 32.6251 calculate D2E/DX2 analytically ! ! D70 D(11,12,13,19) 157.5782 calculate D2E/DX2 analytically ! ! D71 D(11,12,13,22) -87.9917 calculate D2E/DX2 analytically ! ! D72 D(18,12,13,14) -172.5682 calculate D2E/DX2 analytically ! ! D73 D(18,12,13,19) -47.6151 calculate D2E/DX2 analytically ! ! D74 D(18,12,13,22) 66.815 calculate D2E/DX2 analytically ! ! D75 D(12,13,14,15) -0.0151 calculate D2E/DX2 analytically ! ! D76 D(12,13,14,20) 123.7405 calculate D2E/DX2 analytically ! ! D77 D(12,13,14,23) -119.7192 calculate D2E/DX2 analytically ! ! D78 D(19,13,14,15) -123.7761 calculate D2E/DX2 analytically ! ! D79 D(19,13,14,20) -0.0205 calculate D2E/DX2 analytically ! ! D80 D(19,13,14,23) 116.5198 calculate D2E/DX2 analytically ! ! D81 D(22,13,14,15) 119.6838 calculate D2E/DX2 analytically ! ! D82 D(22,13,14,20) -116.5606 calculate D2E/DX2 analytically ! ! D83 D(22,13,14,23) -0.0203 calculate D2E/DX2 analytically ! ! D84 D(12,13,19,5) -101.4771 calculate D2E/DX2 analytically ! ! D85 D(14,13,19,5) 24.0916 calculate D2E/DX2 analytically ! ! D86 D(22,13,19,5) 142.8034 calculate D2E/DX2 analytically ! ! D87 D(13,14,15,1) 70.0339 calculate D2E/DX2 analytically ! ! D88 D(13,14,15,10) -32.6013 calculate D2E/DX2 analytically ! ! D89 D(13,14,15,21) 172.5844 calculate D2E/DX2 analytically ! ! D90 D(20,14,15,1) -54.9167 calculate D2E/DX2 analytically ! ! D91 D(20,14,15,10) -157.5519 calculate D2E/DX2 analytically ! ! D92 D(20,14,15,21) 47.6338 calculate D2E/DX2 analytically ! ! D93 D(23,14,15,1) -169.3464 calculate D2E/DX2 analytically ! ! D94 D(23,14,15,10) 88.0184 calculate D2E/DX2 analytically ! ! D95 D(23,14,15,21) -66.7959 calculate D2E/DX2 analytically ! ! D96 D(13,14,20,5) -24.0656 calculate D2E/DX2 analytically ! ! D97 D(15,14,20,5) 101.4994 calculate D2E/DX2 analytically ! ! D98 D(23,14,20,5) -142.7781 calculate D2E/DX2 analytically ! -------------------------------------------------------------------------------- Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07 Number of steps in this run= 2 maximum allowed number of steps= 2. Search for a saddle point of order 1. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.758504 -0.694531 -0.971068 2 8 0 1.815882 -1.147917 -0.185857 3 6 0 2.404057 -0.000057 0.418696 4 6 0 0.758510 0.694690 -0.970919 5 1 0 2.199800 -0.000171 1.498211 6 1 0 3.487479 -0.000038 0.240386 7 8 0 1.815881 1.147922 -0.185608 8 1 0 0.506248 1.344767 -1.792061 9 1 0 0.506202 -1.344461 -1.792316 10 6 0 -2.109700 -0.703736 -0.726715 11 6 0 -2.109578 0.704018 -0.726612 12 6 0 -1.193917 1.364520 0.078351 13 6 0 -0.792332 0.778928 1.416786 14 6 0 -0.792258 -0.779250 1.416604 15 6 0 -1.194144 -1.364536 0.078129 16 1 0 -2.649432 -1.244145 -1.501985 17 1 0 -2.649189 1.244634 -1.501821 18 1 0 -1.088432 2.444690 -0.012087 19 1 0 0.181002 1.183383 1.715559 20 1 0 0.181211 -1.183699 1.714932 21 1 0 -1.088848 -2.444708 -0.012524 22 1 0 -1.507688 1.141623 2.167966 23 1 0 -1.507310 -1.142198 2.167950 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 O 1.392897 0.000000 3 C 2.263091 1.424436 0.000000 4 C 1.389221 2.264853 2.263079 0.000000 5 H 2.942246 2.073837 1.098669 2.942236 0.000000 6 H 3.065493 2.072087 1.097997 3.065482 1.800067 7 O 2.264868 2.295839 1.424426 1.392898 2.073827 8 H 2.212781 3.241683 3.208999 1.077270 3.937368 9 H 1.077271 2.081971 3.209026 2.212801 3.937380 10 C 2.878609 3.987483 4.709685 3.200291 4.900723 11 C 3.200249 4.373936 4.709602 2.878489 4.900659 12 C 3.025379 3.929508 3.863072 2.315515 3.923735 13 C 3.205935 3.617178 3.438009 2.848393 3.092973 14 C 2.848336 3.083211 3.437934 3.205877 3.092901 15 C 2.315719 3.029335 3.863268 3.025520 3.923899 16 H 3.492560 4.656230 5.547479 3.956663 5.836411 17 H 3.956568 5.233825 5.547336 3.492379 5.836302 18 H 3.766368 4.622993 4.284839 2.719017 4.367014 19 H 3.328368 3.423912 2.832730 2.790968 2.350231 20 H 2.790546 2.507275 2.832363 3.327975 2.349980 21 H 2.719308 3.185776 4.285167 3.766573 4.367297 22 H 4.284930 4.672108 4.434538 3.897179 3.936716 23 H 3.897147 4.072351 4.434317 4.284927 3.936425 6 7 8 9 10 6 H 0.000000 7 O 2.072082 0.000000 8 H 3.850595 2.081965 0.000000 9 H 3.850632 3.241719 2.689228 0.000000 10 C 5.723538 4.373971 3.489199 2.896373 0.000000 11 C 5.723445 3.987351 2.896254 3.489168 1.407754 12 C 4.878908 3.029104 2.527725 3.705183 2.400932 13 C 4.506383 3.083277 3.507589 4.061195 2.920333 14 C 4.506308 3.617107 4.061169 3.507510 2.516977 15 C 4.879116 3.929663 3.705302 2.527873 1.386605 16 H 6.499641 5.233914 4.092056 3.170549 1.088300 17 H 6.499476 4.656030 3.170339 4.091979 2.165175 18 H 5.194170 3.185396 2.630806 4.479926 3.386188 19 H 3.809122 2.507693 3.526362 4.336005 3.843597 20 H 3.808772 3.423544 4.335642 3.525940 3.382348 21 H 5.194530 4.623245 4.480090 2.631043 2.140839 22 H 5.474545 4.072525 4.447361 5.091188 3.485247 23 H 5.474299 4.671989 5.091277 4.447342 2.989015 11 12 13 14 15 11 C 0.000000 12 C 1.386601 0.000000 13 C 2.516923 1.515123 0.000000 14 C 2.920409 2.558906 1.558178 0.000000 15 C 2.400946 2.729056 2.558885 1.515120 0.000000 16 H 2.165175 3.379515 4.007601 3.490471 2.151538 17 H 1.088299 2.151542 3.490425 4.007681 3.379522 18 H 2.140847 1.089070 2.214524 3.538738 3.811760 19 H 3.382417 2.145615 1.095549 2.211004 3.326273 20 H 3.843478 3.326078 2.211014 1.095546 2.145560 21 H 3.386191 3.811760 3.538740 2.214525 1.089072 22 H 2.988704 2.124765 1.098887 2.183149 3.278195 23 H 3.485646 3.278456 2.183155 1.098886 2.124820 16 17 18 19 20 16 H 0.000000 17 H 2.488779 0.000000 18 H 4.273643 2.468887 0.000000 19 H 4.925123 4.285472 2.487392 0.000000 20 H 4.285411 4.924984 4.214237 2.367082 0.000000 21 H 2.468860 4.273630 4.889398 4.214479 2.487428 22 H 4.523716 3.844603 2.574178 1.748740 2.909423 23 H 3.844900 4.524166 4.218268 2.909189 1.748728 21 22 23 21 H 0.000000 22 H 4.218025 0.000000 23 H 2.574123 2.283821 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 0.758504 -0.694531 -0.971068 2 8 0 1.815882 -1.147917 -0.185857 3 6 0 2.404057 -0.000056 0.418696 4 6 0 0.758510 0.694690 -0.970919 5 1 0 2.199800 -0.000170 1.498211 6 1 0 3.487479 -0.000037 0.240386 7 8 0 1.815881 1.147922 -0.185608 8 1 0 0.506248 1.344767 -1.792061 9 1 0 0.506202 -1.344461 -1.792316 10 6 0 -2.109700 -0.703736 -0.726715 11 6 0 -2.109578 0.704018 -0.726612 12 6 0 -1.193917 1.364520 0.078351 13 6 0 -0.792332 0.778928 1.416786 14 6 0 -0.792258 -0.779250 1.416604 15 6 0 -1.194144 -1.364536 0.078129 16 1 0 -2.649432 -1.244145 -1.501985 17 1 0 -2.649189 1.244634 -1.501821 18 1 0 -1.088432 2.444690 -0.012087 19 1 0 0.181002 1.183383 1.715559 20 1 0 0.181211 -1.183699 1.714932 21 1 0 -1.088848 -2.444708 -0.012524 22 1 0 -1.507688 1.141623 2.167966 23 1 0 -1.507310 -1.142198 2.167950 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9100593 1.0127504 0.9486912 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 1.433365110768 -1.312472938782 -1.835052622500 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 1.433365110768 -1.312472938782 -1.835052622500 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 1.433365110768 -1.312472938782 -1.835052622500 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 1.433365110768 -1.312472938782 -1.835052622500 0.8000000000D+00 0.1000000000D+01 Atom O2 Shell 5 S 6 bf 16 - 16 3.431520117490 -2.169247919964 -0.351218875971 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 O2 Shell 6 SP 3 bf 17 - 20 3.431520117490 -2.169247919964 -0.351218875971 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 O2 Shell 7 SP 1 bf 21 - 24 3.431520117490 -2.169247919964 -0.351218875971 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O2 Shell 8 D 1 bf 25 - 30 3.431520117490 -2.169247919964 -0.351218875971 0.8000000000D+00 0.1000000000D+01 Atom C3 Shell 9 S 6 bf 31 - 31 4.543009360913 -0.000106663405 0.791220726844 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 4.543009360913 -0.000106663405 0.791220726844 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 4.543009360913 -0.000106663405 0.791220726844 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 12 D 1 bf 40 - 45 4.543009360913 -0.000106663405 0.791220726844 0.8000000000D+00 0.1000000000D+01 Atom C4 Shell 13 S 6 bf 46 - 46 1.433375935017 1.312774289273 -1.834771053306 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C4 Shell 14 SP 3 bf 47 - 50 1.433375935017 1.312774289273 -1.834771053306 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C4 Shell 15 SP 1 bf 51 - 54 1.433375935017 1.312774289273 -1.834771053306 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C4 Shell 16 D 1 bf 55 - 60 1.433375935017 1.312774289273 -1.834771053306 0.8000000000D+00 0.1000000000D+01 Atom H5 Shell 17 S 3 bf 61 - 61 4.157019570230 -0.000322167773 2.831208433186 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H5 Shell 18 S 1 bf 62 - 62 4.157019570230 -0.000322167773 2.831208433186 0.1612777588D+00 0.1000000000D+01 Atom H6 Shell 19 S 3 bf 63 - 63 6.590380227249 -0.000070357667 0.454263660089 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H6 Shell 20 S 1 bf 64 - 64 6.590380227249 -0.000070357667 0.454263660089 0.1612777588D+00 0.1000000000D+01 Atom O7 Shell 21 S 6 bf 65 - 65 3.431517378146 2.169259035233 -0.350748334164 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 O7 Shell 22 SP 3 bf 66 - 69 3.431517378146 2.169259035233 -0.350748334164 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 O7 Shell 23 SP 1 bf 70 - 73 3.431517378146 2.169259035233 -0.350748334164 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O7 Shell 24 D 1 bf 74 - 79 3.431517378146 2.169259035233 -0.350748334164 0.8000000000D+00 0.1000000000D+01 Atom H8 Shell 25 S 3 bf 80 - 80 0.956669600710 2.541241691207 -3.386504549516 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H8 Shell 26 S 1 bf 81 - 81 0.956669600710 2.541241691207 -3.386504549516 0.1612777588D+00 0.1000000000D+01 Atom H9 Shell 27 S 3 bf 82 - 82 0.956583668508 -2.540662737698 -3.386986429680 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H9 Shell 28 S 1 bf 83 - 83 0.956583668508 -2.540662737698 -3.386986429680 0.1612777588D+00 0.1000000000D+01 Atom C10 Shell 29 S 6 bf 84 - 84 -3.986754939073 -1.329868929269 -1.373292372751 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 C10 Shell 30 SP 3 bf 85 - 88 -3.986754939073 -1.329868929269 -1.373292372751 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 C10 Shell 31 SP 1 bf 89 - 92 -3.986754939073 -1.329868929269 -1.373292372751 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C10 Shell 32 D 1 bf 93 - 98 -3.986754939073 -1.329868929269 -1.373292372751 0.8000000000D+00 0.1000000000D+01 Atom C11 Shell 33 S 6 bf 99 - 99 -3.986524913450 1.330400593251 -1.373097730959 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 C11 Shell 34 SP 3 bf 100 - 103 -3.986524913450 1.330400593251 -1.373097730959 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 C11 Shell 35 SP 1 bf 104 - 107 -3.986524913450 1.330400593251 -1.373097730959 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C11 Shell 36 D 1 bf 108 - 113 -3.986524913450 1.330400593251 -1.373097730959 0.8000000000D+00 0.1000000000D+01 Atom C12 Shell 37 S 6 bf 114 - 114 -2.256176637317 2.578568822332 0.148061886147 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 C12 Shell 38 SP 3 bf 115 - 118 -2.256176637317 2.578568822332 0.148061886147 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 C12 Shell 39 SP 1 bf 119 - 122 -2.256176637317 2.578568822332 0.148061886147 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C12 Shell 40 D 1 bf 123 - 128 -2.256176637317 2.578568822332 0.148061886147 0.8000000000D+00 0.1000000000D+01 Atom C13 Shell 41 S 6 bf 129 - 129 -1.497290751533 1.471960465337 2.677337482816 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 42 SP 3 bf 130 - 133 -1.497290751533 1.471960465337 2.677337482816 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 43 SP 1 bf 134 - 137 -1.497290751533 1.471960465337 2.677337482816 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C13 Shell 44 D 1 bf 138 - 143 -1.497290751533 1.471960465337 2.677337482816 0.8000000000D+00 0.1000000000D+01 Atom C14 Shell 45 S 6 bf 144 - 144 -1.497150335166 -1.472569220923 2.676993552659 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 C14 Shell 46 SP 3 bf 145 - 148 -1.497150335166 -1.472569220923 2.676993552659 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 C14 Shell 47 SP 1 bf 149 - 152 -1.497150335166 -1.472569220923 2.676993552659 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C14 Shell 48 D 1 bf 153 - 158 -1.497150335166 -1.472569220923 2.676993552659 0.8000000000D+00 0.1000000000D+01 Atom C15 Shell 49 S 6 bf 159 - 159 -2.256604595211 -2.578599619061 0.147642366945 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C15 Shell 50 SP 3 bf 160 - 163 -2.256604595211 -2.578599619061 0.147642366945 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C15 Shell 51 SP 1 bf 164 - 167 -2.256604595211 -2.578599619061 0.147642366945 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C15 Shell 52 D 1 bf 168 - 173 -2.256604595211 -2.578599619061 0.147642366945 0.8000000000D+00 0.1000000000D+01 Atom H16 Shell 53 S 3 bf 174 - 174 -5.006700404239 -2.351094138753 -2.838340351793 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H16 Shell 54 S 1 bf 175 - 175 -5.006700404239 -2.351094138753 -2.838340351793 0.1612777588D+00 0.1000000000D+01 Atom H17 Shell 55 S 3 bf 176 - 176 -5.006242121808 2.352016576614 -2.838030436707 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H17 Shell 56 S 1 bf 177 - 177 -5.006242121808 2.352016576614 -2.838030436707 0.1612777588D+00 0.1000000000D+01 Atom H18 Shell 57 S 3 bf 178 - 178 -2.056839275927 4.619794338327 -0.022841165859 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H18 Shell 58 S 1 bf 179 - 179 -2.056839275927 4.619794338327 -0.022841165859 0.1612777588D+00 0.1000000000D+01 Atom H19 Shell 59 S 3 bf 180 - 180 0.342043794617 2.236270008614 3.241936628716 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H19 Shell 60 S 1 bf 181 - 181 0.342043794617 2.236270008614 3.241936628716 0.1612777588D+00 0.1000000000D+01 Atom H20 Shell 61 S 3 bf 182 - 182 0.342439623362 -2.236866705392 3.240751770431 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H20 Shell 62 S 1 bf 183 - 183 0.342439623362 -2.236866705392 3.240751770431 0.1612777588D+00 0.1000000000D+01 Atom H21 Shell 63 S 3 bf 184 - 184 -2.057623592584 -4.619828836505 -0.023666976179 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H21 Shell 64 S 1 bf 185 - 185 -2.057623592584 -4.619828836505 -0.023666976179 0.1612777588D+00 0.1000000000D+01 Atom H22 Shell 65 S 3 bf 186 - 186 -2.849117813272 2.157354420373 4.096861959317 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 -2.849117813272 2.157354420373 4.096861959317 0.1612777588D+00 0.1000000000D+01 Atom H23 Shell 67 S 3 bf 188 - 188 -2.848402651622 -2.158441806020 4.096831723699 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 -2.848402651622 -2.158441806020 4.096831723699 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 650.5346514866 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 Initial guess from the checkpoint file: "\\icnas1.cc.ic.ac.uk\jag115\Desktop\transition_state_lab\two\exo_ts_b3lyp631gd_MOs.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000000 0.000000 0.000000 Ang= 0.00 deg. Keep R1 ints in memory in canonical form, NReq=164758057. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RB3LYP) = -500.488668995 A.U. after 1 cycles NFock= 1 Conv=0.39D-08 -V/T= 2.0093 DoSCS=F DFT=T ScalE2(SS,OS)= 1.000000 1.000000 Range of M.O.s used for correlation: 1 189 NBasis= 189 NAE= 41 NBE= 41 NFC= 0 NFV= 0 NROrb= 189 NOA= 41 NOB= 41 NVA= 148 NVB= 148 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 G2DrvN: will do 24 centers at a time, making 1 passes. Calling FoFCou, ICntrl= 3107 FMM=F I1Cent= 0 AccDes= 0.00D+00. End of G2Drv F.D. properties file 721 does not exist. End of G2Drv F.D. properties file 722 does not exist. End of G2Drv F.D. properties file 788 does not exist. IDoAtm=11111111111111111111111 Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Keep R1 ints in memory in canonical form, NReq=164638410. There are 72 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 69 vectors produced by pass 0 Test12= 8.43D-15 1.39D-09 XBig12= 1.78D+02 8.74D+00. AX will form 69 AO Fock derivatives at one time. 69 vectors produced by pass 1 Test12= 8.43D-15 1.39D-09 XBig12= 2.96D+01 1.04D+00. 69 vectors produced by pass 2 Test12= 8.43D-15 1.39D-09 XBig12= 2.55D-01 9.84D-02. 69 vectors produced by pass 3 Test12= 8.43D-15 1.39D-09 XBig12= 6.80D-04 4.83D-03. 69 vectors produced by pass 4 Test12= 8.43D-15 1.39D-09 XBig12= 1.05D-06 1.29D-04. 49 vectors produced by pass 5 Test12= 8.43D-15 1.39D-09 XBig12= 9.07D-10 3.72D-06. 5 vectors produced by pass 6 Test12= 8.43D-15 1.39D-09 XBig12= 7.31D-13 1.15D-07. 2 vectors produced by pass 7 Test12= 8.43D-15 1.39D-09 XBig12= 6.09D-16 3.11D-09. InvSVY: IOpt=1 It= 1 EMax= 6.22D-15 Solved reduced A of dimension 401 with 72 vectors. Isotropic polarizability for W= 0.000000 101.28 Bohr**3. End of Minotr F.D. properties file 721 does not exist. End of Minotr F.D. properties file 722 does not exist. End of Minotr F.D. properties file 788 does not exist. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -19.17684 -19.17683 -10.29230 -10.23860 -10.23802 Alpha occ. eigenvalues -- -10.18644 -10.18641 -10.18037 -10.18019 -10.16936 Alpha occ. eigenvalues -- -10.16886 -1.10717 -1.01320 -0.82908 -0.76591 Alpha occ. eigenvalues -- -0.73370 -0.72868 -0.64376 -0.61453 -0.60399 Alpha occ. eigenvalues -- -0.58468 -0.53237 -0.51154 -0.49418 -0.47020 Alpha occ. eigenvalues -- -0.44671 -0.44355 -0.44104 -0.40558 -0.39790 Alpha occ. eigenvalues -- -0.38963 -0.38415 -0.37329 -0.35526 -0.34882 Alpha occ. eigenvalues -- -0.32858 -0.31942 -0.31708 -0.28626 -0.19801 Alpha occ. eigenvalues -- -0.18560 Alpha virt. eigenvalues -- -0.00699 0.01019 0.08379 0.11232 0.11913 Alpha virt. eigenvalues -- 0.12247 0.12316 0.13517 0.14424 0.14526 Alpha virt. eigenvalues -- 0.16394 0.17144 0.17765 0.19270 0.19777 Alpha virt. eigenvalues -- 0.20300 0.22889 0.23612 0.24272 0.24911 Alpha virt. eigenvalues -- 0.30439 0.31363 0.32662 0.37013 0.43216 Alpha virt. eigenvalues -- 0.47398 0.47797 0.49140 0.50831 0.52317 Alpha virt. eigenvalues -- 0.54653 0.54787 0.54867 0.56891 0.57934 Alpha virt. eigenvalues -- 0.60743 0.61335 0.61823 0.63631 0.66309 Alpha virt. eigenvalues -- 0.67863 0.71283 0.72293 0.74094 0.75190 Alpha virt. eigenvalues -- 0.77536 0.79575 0.79877 0.81071 0.82847 Alpha virt. eigenvalues -- 0.84211 0.85443 0.86451 0.88061 0.88445 Alpha virt. eigenvalues -- 0.88520 0.88709 0.89806 0.91385 0.93717 Alpha virt. eigenvalues -- 0.94030 0.95124 1.00794 1.01439 1.02295 Alpha virt. eigenvalues -- 1.02725 1.09209 1.09920 1.11414 1.14921 Alpha virt. eigenvalues -- 1.15187 1.18946 1.20405 1.25127 1.26439 Alpha virt. eigenvalues -- 1.36726 1.37046 1.39833 1.42704 1.43216 Alpha virt. eigenvalues -- 1.43860 1.47574 1.49204 1.52643 1.58530 Alpha virt. eigenvalues -- 1.63999 1.66109 1.72044 1.72342 1.75845 Alpha virt. eigenvalues -- 1.77089 1.79419 1.86001 1.87778 1.88534 Alpha virt. eigenvalues -- 1.90842 1.93562 1.95825 1.97652 1.97838 Alpha virt. eigenvalues -- 1.98101 2.00054 2.01937 2.04161 2.08890 Alpha virt. eigenvalues -- 2.12024 2.14083 2.16019 2.23013 2.25488 Alpha virt. eigenvalues -- 2.26203 2.27991 2.29193 2.30961 2.31855 Alpha virt. eigenvalues -- 2.37117 2.40151 2.43436 2.44809 2.45144 Alpha virt. eigenvalues -- 2.48408 2.52225 2.54538 2.59890 2.62740 Alpha virt. eigenvalues -- 2.64518 2.67569 2.69296 2.69442 2.73616 Alpha virt. eigenvalues -- 2.76592 2.80390 2.86686 2.87995 2.94456 Alpha virt. eigenvalues -- 3.10576 3.13119 4.00622 4.10578 4.12767 Alpha virt. eigenvalues -- 4.25202 4.26809 4.36207 4.37018 4.44858 Alpha virt. eigenvalues -- 4.48935 4.64966 4.87452 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.17684 -19.17683 -10.29230 -10.23860 -10.23802 1 1 C 1S 0.00001 0.00000 -0.00012 0.70006 0.70434 2 2S 0.00025 0.00019 -0.00038 0.03450 0.03570 3 2PX 0.00025 0.00008 0.00006 0.00041 0.00036 4 2PY -0.00013 -0.00008 -0.00014 -0.00024 0.00010 5 2PZ 0.00020 0.00006 0.00002 0.00060 0.00067 6 3S -0.00214 -0.00073 0.00089 -0.00710 -0.01901 7 3PX -0.00110 -0.00010 0.00066 0.00005 -0.00024 8 3PY 0.00055 0.00033 0.00057 0.00049 -0.00480 9 3PZ -0.00097 0.00000 0.00080 -0.00079 -0.00265 10 4XX 0.00012 0.00002 0.00007 -0.00637 -0.00613 11 4YY 0.00014 -0.00005 -0.00003 -0.00643 -0.00591 12 4ZZ 0.00007 -0.00001 -0.00003 -0.00633 -0.00606 13 4XY -0.00006 -0.00005 0.00004 -0.00009 0.00002 14 4XZ 0.00007 0.00002 0.00018 0.00019 0.00019 15 4YZ -0.00005 -0.00005 0.00000 0.00007 0.00001 16 2 O 1S 0.89267 0.43428 -0.00007 -0.00003 -0.00014 17 2S 0.02311 0.01132 0.00001 0.00009 -0.00035 18 2PX -0.00024 -0.00011 -0.00009 0.00008 0.00006 19 2PY 0.00080 0.00037 0.00000 0.00004 -0.00003 20 2PZ -0.00009 -0.00003 -0.00006 0.00006 0.00002 21 3S 0.01195 0.00560 0.00114 -0.00001 0.00352 22 3PX -0.00037 -0.00006 0.00053 -0.00028 -0.00045 23 3PY 0.00030 0.00025 -0.00039 -0.00072 0.00031 24 3PZ -0.00014 -0.00006 0.00039 -0.00014 0.00008 25 4XX -0.00740 -0.00357 -0.00010 -0.00015 -0.00038 26 4YY -0.00745 -0.00367 -0.00050 -0.00004 -0.00038 27 4ZZ -0.00741 -0.00358 -0.00002 -0.00008 -0.00034 28 4XY -0.00001 0.00000 -0.00016 0.00009 0.00017 29 4XZ -0.00003 -0.00004 -0.00020 -0.00032 -0.00038 30 4YZ -0.00002 -0.00001 -0.00020 0.00004 0.00013 31 3 C 1S 0.00001 0.00002 0.99303 0.00001 0.00000 32 2S 0.00011 0.00033 0.04864 -0.00058 0.00000 33 2PX -0.00005 -0.00015 -0.00077 -0.00008 0.00000 34 2PY -0.00040 0.00014 0.00000 0.00000 0.00008 35 2PZ -0.00007 -0.00020 -0.00067 -0.00010 0.00000 36 3S -0.00093 -0.00270 -0.01350 0.00274 0.00001 37 3PX 0.00014 0.00040 0.00060 -0.00136 0.00000 38 3PY 0.00107 -0.00037 0.00000 0.00000 0.00025 39 3PZ 0.00019 0.00055 -0.00001 -0.00099 0.00000 40 4XX 0.00003 0.00008 -0.00875 0.00007 0.00000 41 4YY 0.00013 0.00037 -0.00875 0.00003 0.00000 42 4ZZ 0.00003 0.00010 -0.00878 0.00002 0.00000 43 4XY 0.00012 -0.00004 0.00000 0.00000 0.00002 44 4XZ 0.00003 0.00009 0.00006 0.00025 0.00000 45 4YZ 0.00016 -0.00005 0.00000 0.00000 0.00003 46 4 C 1S -0.00001 0.00001 -0.00012 0.70400 -0.70040 47 2S -0.00008 0.00030 -0.00038 0.03470 -0.03551 48 2PX -0.00015 0.00022 0.00006 0.00041 -0.00036 49 2PY -0.00005 0.00014 0.00014 0.00024 0.00010 50 2PZ -0.00012 0.00017 0.00002 0.00061 -0.00067 51 3S 0.00123 -0.00190 0.00089 -0.00721 0.01897 52 3PX 0.00081 -0.00076 0.00066 0.00005 0.00024 53 3PY 0.00023 -0.00060 -0.00057 -0.00046 -0.00480 54 3PZ 0.00076 -0.00059 0.00080 -0.00081 0.00264 55 4XX -0.00008 0.00009 0.00007 -0.00641 0.00609 56 4YY -0.00014 0.00004 -0.00003 -0.00646 0.00588 57 4ZZ -0.00006 0.00003 -0.00003 -0.00636 0.00603 58 4XY -0.00001 0.00008 -0.00004 0.00009 0.00002 59 4XZ -0.00004 0.00006 0.00018 0.00019 -0.00019 60 4YZ -0.00001 0.00007 0.00000 -0.00007 0.00001 61 5 H 1S 0.00004 0.00011 -0.00007 -0.00013 0.00000 62 2S 0.00005 0.00016 0.00276 -0.00005 0.00000 63 6 H 1S 0.00006 0.00017 -0.00018 -0.00007 0.00000 64 2S 0.00004 0.00013 0.00240 0.00015 0.00000 65 7 O 1S -0.43427 0.89268 -0.00007 -0.00003 0.00014 66 2S -0.01120 0.02317 0.00001 0.00009 0.00035 67 2PX 0.00012 -0.00023 -0.00009 0.00008 -0.00006 68 2PY 0.00041 -0.00078 0.00000 -0.00004 -0.00003 69 2PZ 0.00006 -0.00008 -0.00006 0.00006 -0.00002 70 3S -0.00595 0.01178 0.00114 0.00001 -0.00352 71 3PX 0.00025 -0.00027 0.00053 -0.00028 0.00045 72 3PY 0.00008 -0.00038 0.00039 0.00072 0.00031 73 3PZ 0.00007 -0.00013 0.00039 -0.00014 -0.00008 74 4XX 0.00362 -0.00738 -0.00010 -0.00015 0.00038 75 4YY 0.00360 -0.00748 -0.00050 -0.00004 0.00038 76 4ZZ 0.00362 -0.00739 -0.00002 -0.00008 0.00034 77 4XY -0.00001 0.00001 0.00016 -0.00009 0.00017 78 4XZ 0.00000 -0.00005 -0.00020 -0.00032 0.00037 79 4YZ -0.00001 0.00002 0.00020 -0.00004 0.00013 80 8 H 1S 0.00000 0.00012 0.00006 -0.00026 0.00012 81 2S 0.00009 0.00008 0.00039 0.00140 -0.00070 82 9 H 1S 0.00007 0.00009 0.00006 -0.00026 -0.00012 83 2S -0.00002 0.00012 0.00039 0.00139 0.00070 84 10 C 1S 0.00002 0.00001 -0.00002 -0.00008 -0.00004 85 2S 0.00011 0.00003 -0.00007 -0.00010 -0.00006 86 2PX 0.00001 0.00000 -0.00002 -0.00007 -0.00005 87 2PY 0.00000 0.00001 -0.00005 -0.00001 0.00000 88 2PZ -0.00001 -0.00001 0.00001 0.00003 -0.00001 89 3S -0.00116 -0.00012 0.00019 0.00041 -0.00110 90 3PX -0.00046 -0.00003 0.00024 -0.00002 -0.00054 91 3PY -0.00020 0.00018 0.00025 -0.00017 -0.00035 92 3PZ -0.00028 0.00003 0.00019 -0.00007 -0.00057 93 4XX 0.00001 0.00000 -0.00001 -0.00006 -0.00003 94 4YY 0.00002 0.00001 -0.00003 -0.00006 -0.00005 95 4ZZ 0.00004 0.00002 -0.00003 -0.00007 -0.00004 96 4XY 0.00000 0.00001 0.00001 -0.00002 -0.00001 97 4XZ -0.00002 -0.00001 0.00002 0.00000 0.00001 98 4YZ 0.00001 0.00000 0.00000 -0.00006 -0.00006 99 11 C 1S -0.00001 0.00002 -0.00002 -0.00009 0.00004 100 2S -0.00007 0.00009 -0.00007 -0.00010 0.00006 101 2PX 0.00000 0.00000 -0.00002 -0.00007 0.00005 102 2PY -0.00001 -0.00001 0.00005 0.00001 0.00000 103 2PZ 0.00000 -0.00002 0.00001 0.00003 0.00001 104 3S 0.00084 -0.00082 0.00019 0.00040 0.00110 105 3PX 0.00034 -0.00031 0.00024 -0.00002 0.00054 106 3PY -0.00027 -0.00002 -0.00025 0.00018 -0.00035 107 3PZ 0.00024 -0.00015 0.00019 -0.00007 0.00056 108 4XX -0.00001 0.00001 -0.00001 -0.00006 0.00003 109 4YY -0.00001 0.00002 -0.00003 -0.00006 0.00005 110 4ZZ -0.00002 0.00004 -0.00003 -0.00007 0.00004 111 4XY -0.00001 -0.00001 -0.00001 0.00002 -0.00001 112 4XZ 0.00001 -0.00002 0.00002 0.00000 -0.00001 113 4YZ 0.00001 -0.00001 0.00000 0.00006 -0.00006 114 12 C 1S 0.00002 -0.00002 0.00004 -0.00011 0.00022 115 2S 0.00010 -0.00012 0.00012 -0.00041 0.00085 116 2PX 0.00001 0.00002 0.00003 -0.00010 0.00008 117 2PY 0.00000 0.00000 -0.00006 0.00008 -0.00015 118 2PZ 0.00001 0.00001 0.00003 -0.00003 0.00010 119 3S -0.00084 0.00079 -0.00079 0.00149 -0.00368 120 3PX -0.00005 -0.00012 -0.00019 0.00090 -0.00076 121 3PY 0.00039 -0.00029 0.00067 -0.00037 0.00137 122 3PZ -0.00009 -0.00022 -0.00037 0.00000 0.00002 123 4XX -0.00001 0.00002 0.00004 -0.00005 0.00013 124 4YY 0.00001 -0.00001 0.00004 -0.00020 0.00028 125 4ZZ 0.00001 -0.00001 0.00003 -0.00013 0.00020 126 4XY 0.00000 0.00002 0.00002 -0.00007 0.00010 127 4XZ -0.00001 0.00001 -0.00003 -0.00009 0.00012 128 4YZ 0.00001 0.00001 0.00002 0.00003 -0.00005 129 13 C 1S -0.00001 -0.00001 -0.00002 -0.00010 0.00014 130 2S -0.00004 -0.00004 -0.00005 -0.00012 0.00029 131 2PX -0.00003 0.00001 -0.00006 -0.00013 0.00015 132 2PY 0.00001 0.00000 0.00004 0.00004 0.00001 133 2PZ 0.00002 -0.00003 0.00000 0.00020 -0.00027 134 3S 0.00046 0.00019 0.00051 -0.00023 -0.00029 135 3PX 0.00000 0.00012 0.00002 0.00054 -0.00141 136 3PY -0.00015 0.00014 0.00001 -0.00019 0.00084 137 3PZ -0.00040 0.00023 -0.00041 -0.00027 0.00056 138 4XX -0.00003 0.00001 -0.00003 -0.00006 0.00011 139 4YY -0.00001 -0.00001 -0.00002 -0.00010 0.00010 140 4ZZ 0.00000 -0.00003 0.00002 -0.00011 0.00016 141 4XY 0.00000 0.00000 0.00002 0.00001 0.00005 142 4XZ 0.00002 -0.00002 0.00003 0.00001 -0.00003 143 4YZ 0.00001 0.00000 -0.00001 -0.00004 -0.00003 144 14 C 1S 0.00000 -0.00001 -0.00002 -0.00010 -0.00014 145 2S 0.00001 -0.00006 -0.00005 -0.00012 -0.00029 146 2PX 0.00003 -0.00001 -0.00006 -0.00013 -0.00015 147 2PY 0.00001 -0.00001 -0.00004 -0.00004 0.00001 148 2PZ -0.00003 -0.00001 0.00000 0.00020 0.00028 149 3S -0.00024 0.00043 0.00051 -0.00023 0.00029 150 3PX 0.00008 0.00010 0.00001 0.00054 0.00141 151 3PY -0.00020 -0.00002 -0.00001 0.00019 0.00084 152 3PZ 0.00045 -0.00007 -0.00041 -0.00027 -0.00057 153 4XX 0.00002 -0.00001 -0.00003 -0.00006 -0.00011 154 4YY 0.00000 -0.00001 -0.00002 -0.00010 -0.00010 155 4ZZ -0.00001 -0.00002 0.00002 -0.00011 -0.00016 156 4XY 0.00000 0.00000 -0.00002 -0.00001 0.00005 157 4XZ -0.00003 0.00000 0.00003 0.00001 0.00003 158 4YZ 0.00001 -0.00001 0.00001 0.00004 -0.00003 159 15 C 1S -0.00002 0.00000 0.00004 -0.00011 -0.00023 160 2S -0.00015 -0.00003 0.00012 -0.00041 -0.00085 161 2PX 0.00001 0.00002 0.00003 -0.00010 -0.00008 162 2PY 0.00000 0.00000 0.00006 -0.00008 -0.00015 163 2PZ 0.00000 0.00001 0.00003 -0.00003 -0.00010 164 3S 0.00114 0.00010 -0.00079 0.00147 0.00369 165 3PX -0.00003 -0.00012 -0.00019 0.00090 0.00076 166 3PY 0.00049 -0.00001 -0.00067 0.00036 0.00137 167 3PZ -0.00006 -0.00023 -0.00037 0.00000 -0.00002 168 4XX 0.00002 0.00001 0.00004 -0.00005 -0.00013 169 4YY -0.00002 -0.00001 0.00004 -0.00020 -0.00028 170 4ZZ -0.00002 0.00000 0.00003 -0.00012 -0.00020 171 4XY -0.00001 -0.00001 -0.00002 0.00007 0.00010 172 4XZ 0.00002 0.00000 -0.00003 -0.00009 -0.00012 173 4YZ 0.00000 -0.00001 -0.00002 -0.00003 -0.00005 174 16 H 1S 0.00001 0.00002 0.00003 0.00001 -0.00001 175 2S -0.00009 0.00004 0.00012 -0.00020 -0.00028 176 17 H 1S 0.00001 0.00002 0.00003 0.00001 0.00002 177 2S 0.00010 -0.00002 0.00012 -0.00020 0.00028 178 18 H 1S 0.00000 -0.00001 -0.00002 -0.00006 0.00005 179 2S -0.00008 0.00006 -0.00025 -0.00007 -0.00001 180 19 H 1S -0.00007 0.00007 -0.00007 -0.00004 0.00018 181 2S 0.00019 -0.00041 0.00010 -0.00027 0.00023 182 20 H 1S 0.00010 0.00001 -0.00007 -0.00004 -0.00018 183 2S -0.00040 -0.00020 0.00010 -0.00027 -0.00023 184 21 H 1S -0.00001 -0.00001 -0.00002 -0.00006 -0.00005 185 2S 0.00010 -0.00001 -0.00025 -0.00007 0.00001 186 22 H 1S 0.00002 -0.00003 0.00001 0.00005 -0.00013 187 2S 0.00010 -0.00007 0.00012 0.00049 -0.00082 188 23 H 1S -0.00003 -0.00001 0.00001 0.00005 0.00013 189 2S -0.00012 0.00001 0.00012 0.00049 0.00083 6 7 8 9 10 O O O O O Eigenvalues -- -10.18644 -10.18641 -10.18037 -10.18019 -10.16936 1 1 C 1S 0.00019 -0.00011 0.00002 -0.00002 0.00002 2 2S 0.00125 -0.00062 -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 -0.00915 0.00277 0.00022 0.00368 -0.00015 7 3PX 0.00089 -0.00055 0.00033 0.00112 -0.00081 8 3PY -0.00199 -0.00051 0.00048 0.00201 0.00015 9 3PZ -0.00314 0.00077 0.00079 0.00243 -0.00039 10 4XX 0.00005 -0.00003 -0.00012 -0.00011 -0.00014 11 4YY 0.00025 -0.00017 -0.00008 -0.00005 -0.00006 12 4ZZ 0.00023 -0.00017 -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 -0.00005 -0.00006 0.00004 0.00006 16 2 O 1S -0.00010 0.00003 0.00006 0.00003 -0.00004 17 2S -0.00050 0.00016 0.00028 0.00016 -0.00019 18 2PX 0.00007 -0.00004 -0.00001 0.00002 0.00000 19 2PY -0.00003 0.00000 0.00002 -0.00003 -0.00001 20 2PZ -0.00002 -0.00002 0.00002 0.00000 0.00003 21 3S 0.00305 -0.00085 -0.00148 -0.00147 0.00103 22 3PX -0.00129 0.00052 0.00023 0.00053 -0.00029 23 3PY 0.00048 0.00008 -0.00044 -0.00020 0.00015 24 3PZ -0.00021 0.00027 -0.00015 0.00022 -0.00032 25 4XX -0.00012 0.00003 0.00016 -0.00001 -0.00008 26 4YY -0.00031 0.00011 0.00011 0.00007 -0.00012 27 4ZZ -0.00035 0.00014 0.00019 0.00006 -0.00009 28 4XY -0.00006 0.00001 0.00004 0.00004 -0.00004 29 4XZ 0.00002 -0.00002 0.00000 0.00002 0.00006 30 4YZ 0.00000 -0.00001 -0.00001 0.00004 -0.00004 31 3 C 1S 0.00000 0.00002 0.00000 0.00000 -0.00001 32 2S 0.00001 0.00018 -0.00003 0.00000 -0.00008 33 2PX 0.00000 -0.00011 0.00002 0.00000 0.00000 34 2PY 0.00012 0.00000 0.00000 -0.00002 0.00000 35 2PZ 0.00000 0.00006 -0.00010 0.00000 0.00003 36 3S -0.00003 -0.00087 0.00104 0.00001 0.00030 37 3PX 0.00002 0.00065 -0.00041 0.00000 0.00000 38 3PY -0.00024 0.00001 0.00000 0.00026 0.00000 39 3PZ -0.00001 -0.00018 0.00032 0.00000 -0.00006 40 4XX 0.00000 0.00007 -0.00007 0.00000 -0.00002 41 4YY 0.00000 0.00001 0.00003 0.00000 0.00001 42 4ZZ 0.00000 0.00006 -0.00001 0.00000 -0.00004 43 4XY -0.00005 0.00000 0.00000 -0.00003 0.00000 44 4XZ 0.00000 -0.00003 0.00001 0.00000 0.00000 45 4YZ 0.00004 0.00000 0.00000 -0.00002 0.00000 46 4 C 1S -0.00020 -0.00010 0.00002 0.00002 0.00002 47 2S -0.00129 -0.00054 -0.00014 0.00039 -0.00005 48 2PX 0.00020 0.00009 0.00004 -0.00004 0.00014 49 2PY -0.00009 0.00005 0.00016 0.00001 0.00000 50 2PZ -0.00006 -0.00003 -0.00016 0.00021 -0.00001 51 3S 0.00932 0.00214 0.00026 -0.00367 -0.00014 52 3PX -0.00093 -0.00049 0.00034 -0.00111 -0.00079 53 3PY -0.00195 0.00065 -0.00050 0.00201 -0.00015 54 3PZ 0.00319 0.00056 0.00082 -0.00242 -0.00038 55 4XX -0.00005 -0.00003 -0.00012 0.00011 -0.00014 56 4YY -0.00026 -0.00015 -0.00008 0.00005 -0.00006 57 4ZZ -0.00024 -0.00015 -0.00009 0.00012 -0.00013 58 4XY 0.00005 -0.00007 0.00002 -0.00005 -0.00006 59 4XZ -0.00003 -0.00007 0.00005 -0.00009 -0.00008 60 4YZ -0.00004 0.00006 0.00005 0.00004 -0.00006 61 5 H 1S 0.00000 0.00009 -0.00004 0.00000 0.00001 62 2S 0.00001 0.00032 -0.00076 0.00000 -0.00006 63 6 H 1S 0.00000 -0.00002 -0.00002 0.00000 -0.00001 64 2S -0.00001 -0.00026 0.00013 0.00000 -0.00005 65 7 O 1S 0.00011 0.00003 0.00006 -0.00003 -0.00004 66 2S 0.00051 0.00012 0.00028 -0.00016 -0.00019 67 2PX -0.00008 -0.00003 -0.00001 -0.00002 0.00000 68 2PY -0.00003 0.00000 -0.00002 -0.00003 0.00001 69 2PZ 0.00002 -0.00003 0.00002 0.00001 0.00003 70 3S -0.00310 -0.00064 -0.00150 0.00145 0.00101 71 3PX 0.00132 0.00043 0.00023 -0.00052 -0.00029 72 3PY 0.00048 -0.00011 0.00044 -0.00019 -0.00015 73 3PZ 0.00022 0.00025 -0.00014 -0.00022 -0.00032 74 4XX 0.00012 0.00002 0.00016 0.00001 -0.00008 75 4YY 0.00032 0.00009 0.00011 -0.00007 -0.00011 76 4ZZ 0.00036 0.00012 0.00019 -0.00006 -0.00009 77 4XY -0.00006 -0.00001 -0.00004 0.00004 0.00004 78 4XZ -0.00002 -0.00002 0.00000 -0.00002 0.00005 79 4YZ 0.00000 0.00001 0.00001 0.00004 0.00004 80 8 H 1S -0.00022 -0.00013 0.00008 -0.00014 -0.00011 81 2S 0.00039 -0.00029 0.00058 -0.00118 -0.00007 82 9 H 1S 0.00021 -0.00015 0.00008 0.00014 -0.00011 83 2S -0.00040 -0.00027 0.00057 0.00118 -0.00007 84 10 C 1S -0.01134 0.01250 -0.00068 -0.00057 0.70470 85 2S -0.00008 0.00020 -0.00022 -0.00022 0.03500 86 2PX -0.00001 -0.00013 -0.00005 -0.00008 0.00024 87 2PY -0.00014 0.00007 -0.00007 0.00004 -0.00013 88 2PZ 0.00012 -0.00017 -0.00010 -0.00007 -0.00002 89 3S -0.01062 0.00362 0.00052 0.00042 -0.00769 90 3PX -0.00397 0.00132 0.00034 0.00050 -0.00093 91 3PY -0.00109 -0.00039 -0.00003 -0.00006 0.00066 92 3PZ -0.00427 0.00124 0.00032 0.00030 -0.00042 93 4XX 0.00021 -0.00024 -0.00007 -0.00004 -0.00674 94 4YY 0.00030 -0.00022 -0.00002 -0.00003 -0.00679 95 4ZZ 0.00024 -0.00027 -0.00004 -0.00003 -0.00667 96 4XY -0.00009 0.00013 -0.00007 -0.00002 -0.00001 97 4XZ 0.00004 -0.00003 0.00005 0.00004 0.00011 98 4YZ -0.00009 0.00009 0.00000 0.00005 0.00001 99 11 C 1S 0.01217 0.01169 -0.00068 0.00056 0.69888 100 2S 0.00009 0.00019 -0.00022 0.00022 0.03470 101 2PX 0.00000 -0.00013 -0.00005 0.00008 0.00024 102 2PY -0.00015 -0.00006 0.00007 0.00004 0.00014 103 2PZ -0.00013 -0.00016 -0.00011 0.00007 -0.00002 104 3S 0.01084 0.00288 0.00053 -0.00042 -0.00755 105 3PX 0.00406 0.00105 0.00034 -0.00050 -0.00091 106 3PY -0.00106 0.00046 0.00003 -0.00006 -0.00069 107 3PZ 0.00434 0.00095 0.00033 -0.00030 -0.00041 108 4XX -0.00023 -0.00022 -0.00007 0.00004 -0.00669 109 4YY -0.00031 -0.00020 -0.00002 0.00003 -0.00674 110 4ZZ -0.00026 -0.00026 -0.00004 0.00003 -0.00662 111 4XY -0.00010 -0.00012 0.00007 -0.00002 0.00000 112 4XZ -0.00004 -0.00003 0.00005 -0.00004 0.00011 113 4YZ -0.00009 -0.00009 0.00000 0.00005 -0.00001 114 12 C 1S 0.72586 0.67743 -0.01407 0.01374 -0.01230 115 2S 0.03768 0.03387 -0.00083 0.00072 -0.00083 116 2PX 0.00032 0.00010 -0.00001 -0.00004 0.00019 117 2PY -0.00053 -0.00009 0.00005 0.00002 0.00009 118 2PZ 0.00005 -0.00001 -0.00012 -0.00008 0.00010 119 3S -0.02250 -0.01178 0.00288 -0.00389 0.00248 120 3PX 0.00037 -0.00021 0.00061 -0.00047 -0.00092 121 3PY 0.00669 0.00089 -0.00039 0.00097 -0.00060 122 3PZ -0.00041 -0.00004 0.00169 -0.00177 -0.00083 123 4XX -0.00618 -0.00620 -0.00001 -0.00007 -0.00002 124 4YY -0.00606 -0.00600 0.00008 -0.00004 0.00009 125 4ZZ -0.00622 -0.00613 -0.00013 0.00010 0.00000 126 4XY 0.00004 0.00009 0.00003 -0.00006 -0.00003 127 4XZ 0.00005 0.00016 -0.00004 0.00002 -0.00008 128 4YZ 0.00003 0.00003 0.00006 -0.00003 -0.00001 129 13 C 1S 0.01415 0.01336 0.70610 -0.69808 0.00037 130 2S 0.00036 0.00049 0.03551 -0.03582 -0.00015 131 2PX 0.00010 0.00003 0.00001 -0.00002 0.00010 132 2PY -0.00007 0.00000 0.00003 0.00003 0.00004 133 2PZ -0.00022 0.00006 -0.00014 0.00019 0.00004 134 3S 0.00764 0.00252 -0.01080 0.01966 0.00035 135 3PX -0.00214 -0.00031 -0.00002 0.00000 -0.00037 136 3PY -0.00036 0.00042 -0.00119 -0.00268 0.00002 137 3PZ -0.00307 -0.00117 0.00087 -0.00191 -0.00019 138 4XX -0.00016 -0.00023 -0.00631 0.00597 -0.00007 139 4YY -0.00022 -0.00024 -0.00667 0.00593 -0.00005 140 4ZZ -0.00020 -0.00032 -0.00640 0.00607 0.00000 141 4XY 0.00005 0.00003 0.00000 0.00000 -0.00001 142 4XZ -0.00008 -0.00006 -0.00003 0.00004 0.00004 143 4YZ 0.00016 0.00016 0.00005 0.00005 -0.00002 144 14 C 1S -0.01320 0.01430 0.69783 0.70635 0.00037 145 2S -0.00033 0.00052 0.03509 0.03623 -0.00015 146 2PX -0.00010 0.00004 0.00001 0.00002 0.00010 147 2PY -0.00007 0.00001 -0.00003 0.00003 -0.00004 148 2PZ 0.00023 0.00005 -0.00014 -0.00020 0.00004 149 3S -0.00745 0.00303 -0.01057 -0.01979 0.00034 150 3PX 0.00212 -0.00046 -0.00002 0.00000 -0.00037 151 3PY -0.00039 -0.00040 0.00122 -0.00267 -0.00002 152 3PZ 0.00298 -0.00138 0.00085 0.00192 -0.00019 153 4XX 0.00015 -0.00024 -0.00624 -0.00605 -0.00007 154 4YY 0.00020 -0.00026 -0.00660 -0.00601 -0.00005 155 4ZZ 0.00018 -0.00033 -0.00633 -0.00615 0.00000 156 4XY 0.00005 -0.00003 0.00000 0.00000 0.00001 157 4XZ 0.00007 -0.00006 -0.00003 -0.00004 0.00004 158 4YZ 0.00015 -0.00017 -0.00006 0.00005 0.00002 159 15 C 1S -0.67774 0.72556 -0.01391 -0.01391 -0.01240 160 2S -0.03527 0.03637 -0.00083 -0.00073 -0.00084 161 2PX -0.00031 0.00012 -0.00001 0.00004 0.00019 162 2PY -0.00052 0.00013 -0.00005 0.00002 -0.00009 163 2PZ -0.00005 -0.00001 -0.00012 0.00008 0.00010 164 3S 0.02164 -0.01329 0.00283 0.00393 0.00252 165 3PX -0.00039 -0.00018 0.00061 0.00048 -0.00093 166 3PY 0.00662 -0.00135 0.00038 0.00097 0.00061 167 3PZ 0.00040 -0.00006 0.00167 0.00179 -0.00083 168 4XX 0.00574 -0.00661 -0.00001 0.00007 -0.00002 169 4YY 0.00564 -0.00641 0.00008 0.00004 0.00009 170 4ZZ 0.00579 -0.00654 -0.00013 -0.00010 0.00000 171 4XY 0.00004 -0.00010 -0.00003 -0.00007 0.00003 172 4XZ -0.00004 0.00016 -0.00004 -0.00002 -0.00008 173 4YZ 0.00003 -0.00004 -0.00006 -0.00003 0.00001 174 16 H 1S -0.00007 -0.00007 0.00001 0.00001 -0.00031 175 2S -0.00113 0.00034 0.00026 0.00024 0.00135 176 17 H 1S 0.00006 -0.00007 0.00001 -0.00001 -0.00031 177 2S 0.00115 0.00026 0.00026 -0.00024 0.00134 178 18 H 1S -0.00021 -0.00011 -0.00011 0.00006 -0.00004 179 2S 0.00031 0.00168 -0.00002 0.00006 0.00009 180 19 H 1S -0.00013 -0.00009 -0.00010 -0.00031 0.00001 181 2S 0.00060 0.00008 0.00221 -0.00210 0.00030 182 20 H 1S 0.00012 -0.00010 -0.00010 0.00031 0.00001 183 2S -0.00059 0.00012 0.00219 0.00213 0.00031 184 21 H 1S 0.00020 -0.00012 -0.00011 -0.00006 -0.00004 185 2S -0.00019 0.00170 -0.00002 -0.00006 0.00009 186 22 H 1S -0.00040 -0.00011 -0.00009 -0.00020 -0.00005 187 2S -0.00013 0.00014 0.00179 -0.00176 -0.00013 188 23 H 1S 0.00039 -0.00014 -0.00009 0.00020 -0.00005 189 2S 0.00014 0.00013 0.00177 0.00178 -0.00014 11 12 13 14 15 O O O O O Eigenvalues -- -10.16886 -1.10717 -1.01320 -0.82908 -0.76591 1 1 C 1S -0.00001 -0.05621 -0.04408 -0.02570 -0.12240 2 2S -0.00003 0.10426 0.08664 0.05206 0.24580 3 2PX -0.00007 0.05979 0.06053 -0.01488 0.02205 4 2PY -0.00003 0.00911 -0.04361 0.01419 0.06650 5 2PZ -0.00003 0.04382 0.04454 0.00150 -0.00991 6 3S 0.00084 0.03495 -0.00909 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 -0.00106 -0.00590 10 4XX 0.00011 0.00382 0.00644 -0.00140 -0.00970 11 4YY 0.00005 -0.00147 -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 O 1S 0.00006 -0.13125 -0.15242 0.00883 0.01419 17 2S 0.00030 0.28412 0.33479 -0.02049 -0.03359 18 2PX -0.00002 -0.02242 -0.03040 -0.02008 -0.12266 19 2PY 0.00000 0.08689 0.06083 -0.00854 -0.03559 20 2PZ -0.00003 -0.00833 -0.01425 -0.01174 -0.10844 21 3S -0.00183 0.28832 0.35799 -0.02274 -0.03739 22 3PX 0.00052 -0.00923 -0.02342 -0.00987 -0.05543 23 3PY -0.00020 0.05298 0.03672 -0.00479 -0.01554 24 3PZ 0.00040 -0.00213 -0.01098 -0.00502 -0.04937 25 4XX 0.00012 -0.00171 0.00000 0.00129 0.00396 26 4YY 0.00019 0.00722 -0.00050 -0.00136 -0.00582 27 4ZZ 0.00016 -0.00460 -0.00387 0.00018 0.00101 28 4XY 0.00004 -0.00045 -0.00198 -0.00195 -0.01122 29 4XZ -0.00004 0.00716 0.00771 0.00022 0.00388 30 4YZ 0.00003 0.00191 0.00021 -0.00132 -0.01023 31 3 C 1S 0.00000 -0.08320 0.00000 0.01834 0.11738 32 2S 0.00000 0.16015 0.00000 -0.03863 -0.24499 33 2PX 0.00000 -0.06128 0.00000 0.00171 -0.01012 34 2PY -0.00002 0.00001 -0.12748 0.00000 0.00000 35 2PZ 0.00000 -0.05993 -0.00001 0.00672 -0.00417 36 3S 0.00000 0.02856 0.00000 -0.02224 -0.17824 37 3PX 0.00000 0.00866 0.00000 -0.00494 -0.00891 38 3PY 0.00011 0.00000 -0.00620 0.00000 0.00000 39 3PZ 0.00000 0.01227 0.00000 -0.00136 -0.00931 40 4XX 0.00000 -0.00116 0.00000 0.00107 0.00503 41 4YY 0.00000 0.00726 0.00000 -0.00129 -0.00324 42 4ZZ 0.00000 -0.00224 0.00000 0.00059 0.00459 43 4XY 0.00000 0.00000 0.01755 0.00000 0.00000 44 4XZ 0.00000 0.00959 0.00000 -0.00019 0.00357 45 4YZ -0.00001 0.00000 0.01777 0.00000 0.00000 46 4 C 1S 0.00001 -0.05621 0.04408 -0.02571 -0.12241 47 2S 0.00003 0.10426 -0.08664 0.05207 0.24580 48 2PX 0.00007 0.05979 -0.06053 -0.01488 0.02205 49 2PY -0.00003 -0.00912 -0.04360 -0.01419 -0.06650 50 2PZ 0.00003 0.04382 -0.04455 0.00150 -0.00993 51 3S -0.00084 0.03495 0.00910 0.03217 0.17211 52 3PX -0.00159 -0.00366 0.01821 -0.00320 -0.00226 53 3PY 0.00011 0.00021 -0.01692 -0.00195 -0.01028 54 3PZ -0.00139 -0.00408 0.02568 -0.00107 -0.00590 55 4XX -0.00012 0.00382 -0.00644 -0.00140 -0.00970 56 4YY -0.00005 -0.00147 0.00861 0.00137 0.00604 57 4ZZ -0.00006 -0.00073 -0.00180 -0.00082 -0.00696 58 4XY 0.00002 0.00226 -0.00613 0.00011 0.00065 59 4XZ -0.00007 0.01131 -0.01155 -0.00055 0.00474 60 4YZ -0.00005 0.00084 -0.00358 -0.00099 -0.00231 61 5 H 1S 0.00000 0.02534 0.00000 -0.00825 -0.07516 62 2S 0.00000 -0.00230 0.00000 0.00196 -0.01513 63 6 H 1S 0.00000 0.02455 0.00000 -0.01041 -0.07732 64 2S 0.00000 0.00139 0.00000 0.00001 -0.01628 65 7 O 1S -0.00006 -0.13125 0.15242 0.00883 0.01419 66 2S -0.00030 0.28412 -0.33479 -0.02049 -0.03359 67 2PX 0.00002 -0.02241 0.03039 -0.02008 -0.12266 68 2PY 0.00000 -0.08689 0.06083 0.00854 0.03561 69 2PZ 0.00003 -0.00835 0.01426 -0.01174 -0.10844 70 3S 0.00184 0.28832 -0.35799 -0.02274 -0.03739 71 3PX -0.00052 -0.00923 0.02341 -0.00987 -0.05543 72 3PY -0.00020 -0.05298 0.03672 0.00479 0.01555 73 3PZ -0.00040 -0.00214 0.01099 -0.00502 -0.04936 74 4XX -0.00012 -0.00171 0.00000 0.00129 0.00396 75 4YY -0.00019 0.00722 0.00050 -0.00136 -0.00583 76 4ZZ -0.00016 -0.00460 0.00387 0.00018 0.00101 77 4XY 0.00004 0.00045 -0.00198 0.00195 0.01122 78 4XZ 0.00005 0.00716 -0.00771 0.00022 0.00388 79 4YZ 0.00003 -0.00191 0.00021 0.00132 0.01023 80 8 H 1S -0.00023 0.01251 -0.01447 0.01509 0.06814 81 2S -0.00031 -0.00345 0.00847 0.00255 0.01258 82 9 H 1S 0.00023 0.01251 0.01447 0.01508 0.06813 83 2S 0.00031 -0.00346 -0.00847 0.00255 0.01258 84 10 C 1S -0.69917 -0.00034 0.00002 -0.09538 0.01854 85 2S -0.03543 0.00232 0.00271 0.18221 -0.03476 86 2PX -0.00026 0.00108 0.00075 0.03994 -0.00118 87 2PY -0.00029 0.00042 -0.00050 0.02997 -0.00676 88 2PZ -0.00005 0.00015 0.00009 0.03308 -0.00784 89 3S 0.01695 -0.00444 -0.02195 0.11188 -0.03009 90 3PX 0.00239 -0.00291 -0.00854 0.00064 -0.00202 91 3PY 0.00338 -0.00016 -0.01026 0.00183 -0.00013 92 3PZ 0.00171 -0.00115 -0.00564 -0.00174 -0.00222 93 4XX 0.00643 0.00025 0.00018 -0.00440 0.00179 94 4YY 0.00608 0.00030 0.00009 0.00298 -0.00056 95 4ZZ 0.00634 0.00041 0.00045 -0.00337 0.00066 96 4XY 0.00012 0.00008 -0.00026 -0.00028 0.00023 97 4XZ -0.00014 -0.00007 -0.00015 0.00711 -0.00167 98 4YZ 0.00004 0.00005 -0.00006 0.00046 -0.00014 99 11 C 1S 0.70499 -0.00034 -0.00002 -0.09538 0.01853 100 2S 0.03572 0.00232 -0.00271 0.18221 -0.03474 101 2PX 0.00026 0.00108 -0.00075 0.03994 -0.00117 102 2PY -0.00029 -0.00042 -0.00050 -0.02998 0.00677 103 2PZ 0.00005 0.00015 -0.00009 0.03308 -0.00783 104 3S -0.01701 -0.00445 0.02195 0.11188 -0.03009 105 3PX -0.00240 -0.00292 0.00854 0.00063 -0.00202 106 3PY 0.00337 0.00016 -0.01026 -0.00183 0.00014 107 3PZ -0.00172 -0.00115 0.00564 -0.00174 -0.00222 108 4XX -0.00649 0.00025 -0.00018 -0.00440 0.00179 109 4YY -0.00613 0.00030 -0.00009 0.00298 -0.00056 110 4ZZ -0.00640 0.00041 -0.00045 -0.00337 0.00066 111 4XY 0.00012 -0.00008 -0.00026 0.00028 -0.00023 112 4XZ 0.00014 -0.00007 0.00015 0.00711 -0.00167 113 4YZ 0.00004 -0.00005 -0.00006 -0.00046 0.00014 114 12 C 1S -0.01210 -0.00188 0.00246 -0.09140 0.01321 115 2S -0.00074 0.00225 -0.00017 0.17063 -0.02625 116 2PX 0.00009 0.00154 -0.00109 -0.02432 0.01434 117 2PY 0.00010 -0.00063 -0.00058 -0.04654 0.00801 118 2PZ 0.00002 -0.00023 0.00070 0.00317 -0.01051 119 3S 0.00447 0.00685 -0.02164 0.13187 -0.01328 120 3PX -0.00093 0.00007 -0.00423 -0.00049 0.00160 121 3PY -0.00162 -0.00219 0.01160 -0.01393 -0.00134 122 3PZ -0.00061 -0.00034 -0.00364 0.00078 -0.00607 123 4XX -0.00009 0.00010 0.00015 -0.00551 0.00153 124 4YY -0.00006 -0.00028 0.00082 0.00086 -0.00027 125 4ZZ -0.00002 -0.00022 0.00068 -0.00068 -0.00068 126 4XY -0.00005 -0.00001 0.00005 0.00343 -0.00111 127 4XZ -0.00016 0.00007 -0.00012 0.00599 -0.00192 128 4YZ -0.00006 0.00001 0.00009 -0.00074 0.00092 129 13 C 1S 0.00027 -0.00166 0.00115 -0.08158 0.02465 130 2S -0.00014 0.00239 -0.00198 0.15286 -0.04710 131 2PX 0.00008 0.00108 -0.00111 -0.01409 0.00546 132 2PY -0.00003 0.00017 -0.00083 -0.01819 0.00662 133 2PZ 0.00009 -0.00087 0.00018 -0.03442 0.00014 134 3S -0.00017 -0.00019 0.00794 0.11365 -0.03489 135 3PX -0.00035 0.00161 -0.00279 -0.00242 0.00123 136 3PY -0.00006 -0.00162 0.00171 -0.00282 0.00328 137 3PZ -0.00004 -0.00105 -0.00241 -0.00208 0.00027 138 4XX -0.00005 0.00007 -0.00018 -0.00223 0.00040 139 4YY -0.00004 -0.00016 0.00028 0.00150 -0.00058 140 4ZZ -0.00001 -0.00021 0.00035 0.00107 0.00072 141 4XY 0.00004 0.00001 0.00000 -0.00006 -0.00006 142 4XZ 0.00002 -0.00030 0.00037 0.00194 -0.00065 143 4YZ 0.00001 -0.00008 0.00004 -0.00015 -0.00012 144 14 C 1S -0.00026 -0.00166 -0.00115 -0.08158 0.02466 145 2S 0.00014 0.00239 0.00198 0.15285 -0.04711 146 2PX -0.00007 0.00108 0.00111 -0.01409 0.00546 147 2PY -0.00003 -0.00017 -0.00083 0.01820 -0.00662 148 2PZ -0.00009 -0.00087 -0.00018 -0.03441 0.00014 149 3S 0.00017 -0.00019 -0.00794 0.11365 -0.03489 150 3PX 0.00035 0.00161 0.00280 -0.00241 0.00123 151 3PY -0.00006 0.00162 0.00171 0.00282 -0.00327 152 3PZ 0.00004 -0.00105 0.00241 -0.00208 0.00027 153 4XX 0.00005 0.00007 0.00018 -0.00223 0.00040 154 4YY 0.00004 -0.00016 -0.00028 0.00150 -0.00058 155 4ZZ 0.00001 -0.00021 -0.00035 0.00107 0.00072 156 4XY 0.00004 -0.00001 0.00000 0.00006 0.00006 157 4XZ -0.00002 -0.00030 -0.00037 0.00194 -0.00065 158 4YZ 0.00001 0.00008 0.00004 0.00015 0.00012 159 15 C 1S 0.01200 -0.00188 -0.00246 -0.09139 0.01323 160 2S 0.00074 0.00225 0.00017 0.17062 -0.02628 161 2PX -0.00009 0.00154 0.00109 -0.02431 0.01434 162 2PY 0.00010 0.00063 -0.00058 0.04654 -0.00801 163 2PZ -0.00002 -0.00023 -0.00070 0.00318 -0.01051 164 3S -0.00445 0.00685 0.02164 0.13186 -0.01331 165 3PX 0.00093 0.00007 0.00423 -0.00049 0.00160 166 3PY -0.00161 0.00219 0.01160 0.01392 0.00134 167 3PZ 0.00060 -0.00034 0.00365 0.00078 -0.00606 168 4XX 0.00009 0.00010 -0.00015 -0.00551 0.00153 169 4YY 0.00006 -0.00028 -0.00082 0.00087 -0.00027 170 4ZZ 0.00002 -0.00022 -0.00068 -0.00068 -0.00068 171 4XY -0.00005 0.00001 0.00005 -0.00343 0.00112 172 4XZ 0.00016 0.00007 0.00012 0.00599 -0.00192 173 4YZ -0.00006 -0.00001 0.00009 0.00073 -0.00092 174 16 H 1S 0.00025 0.00012 -0.00004 0.03708 -0.00830 175 2S -0.00074 -0.00043 -0.00320 0.00181 -0.00145 176 17 H 1S -0.00025 0.00012 0.00004 0.03708 -0.00829 177 2S 0.00075 -0.00043 0.00320 0.00181 -0.00145 178 18 H 1S 0.00001 0.00044 -0.00093 0.03736 -0.00454 179 2S 0.00013 0.00104 -0.00364 0.00636 0.00024 180 19 H 1S 0.00002 0.00209 -0.00253 0.03706 -0.01329 181 2S 0.00033 0.00186 -0.00188 0.00200 -0.00618 182 20 H 1S -0.00002 0.00210 0.00254 0.03706 -0.01329 183 2S -0.00032 0.00186 0.00187 0.00200 -0.00618 184 21 H 1S -0.00001 0.00044 0.00093 0.03736 -0.00455 185 2S -0.00012 0.00104 0.00364 0.00635 0.00024 186 22 H 1S -0.00005 0.00050 -0.00061 0.03922 -0.01538 187 2S -0.00007 0.00121 -0.00136 0.00320 -0.00367 188 23 H 1S 0.00005 0.00050 0.00061 0.03921 -0.01538 189 2S 0.00007 0.00121 0.00136 0.00321 -0.00367 16 17 18 19 20 O O O O O Eigenvalues -- -0.73370 -0.72868 -0.64376 -0.61453 -0.60399 1 1 C 1S -0.00475 -0.01207 -0.07241 -0.09541 0.02250 2 2S 0.00928 0.02324 0.14729 0.19678 -0.04501 3 2PX 0.00302 -0.01226 -0.08531 0.03100 -0.01197 4 2PY 0.00304 -0.01515 0.15595 -0.13077 0.03063 5 2PZ 0.00726 0.00043 -0.08058 -0.01989 -0.00234 6 3S 0.00868 0.02696 0.12859 0.18873 -0.05485 7 3PX 0.00049 -0.00446 -0.02247 -0.00190 -0.00808 8 3PY -0.00014 0.00039 0.02897 -0.02718 0.00269 9 3PZ 0.00264 0.00237 -0.01968 -0.01220 -0.00727 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 O 1S 0.00235 0.00715 0.07106 0.02548 -0.00812 17 2S -0.00548 -0.01658 -0.16574 -0.05881 0.01850 18 2PX -0.01379 -0.01549 0.07316 -0.18528 0.05831 19 2PY -0.00429 -0.00677 0.08875 -0.05652 0.01760 20 2PZ -0.00318 -0.00677 0.06654 -0.16881 0.04084 21 3S -0.00824 -0.02076 -0.22092 -0.08045 0.03084 22 3PX -0.00676 -0.00714 0.02849 -0.08559 0.02718 23 3PY -0.00336 -0.00377 0.04835 -0.02424 0.00915 24 3PZ -0.00013 -0.00252 0.02633 -0.07957 0.01597 25 4XX 0.00056 0.00102 -0.00023 0.00599 -0.00168 26 4YY -0.00086 -0.00046 0.01009 -0.00336 0.00116 27 4ZZ 0.00012 0.00029 0.00085 0.00283 -0.00068 28 4XY -0.00114 -0.00052 0.00146 -0.00716 0.00216 29 4XZ -0.00032 0.00003 0.00109 0.00506 -0.00057 30 4YZ -0.00038 -0.00035 0.00257 -0.00696 0.00168 31 3 C 1S 0.00912 0.00001 -0.12225 0.00000 0.00000 32 2S -0.01980 -0.00001 0.25807 0.00001 0.00001 33 2PX -0.00442 0.00000 0.06480 0.00000 0.00000 34 2PY 0.00000 0.01881 -0.00001 0.21590 -0.06312 35 2PZ 0.00607 0.00000 0.06778 0.00002 -0.00001 36 3S -0.01503 -0.00001 0.24382 0.00001 0.00001 37 3PX -0.00669 0.00000 0.02131 0.00000 0.00000 38 3PY 0.00000 0.00189 0.00000 0.05677 -0.01520 39 3PZ -0.00182 0.00000 0.02828 0.00001 0.00000 40 4XX 0.00069 0.00000 0.00236 0.00000 0.00000 41 4YY -0.00042 0.00000 -0.01362 0.00000 0.00000 42 4ZZ 0.00029 0.00000 0.00146 0.00000 0.00000 43 4XY 0.00000 -0.00129 0.00000 -0.01287 0.00323 44 4XZ -0.00007 0.00000 -0.00553 0.00000 0.00000 45 4YZ 0.00000 -0.00186 0.00000 -0.01406 0.00448 46 4 C 1S -0.00475 0.01206 -0.07241 0.09540 -0.02251 47 2S 0.00927 -0.02322 0.14730 -0.19676 0.04503 48 2PX 0.00303 0.01227 -0.08531 -0.03100 0.01198 49 2PY -0.00304 -0.01516 -0.15593 -0.13080 0.03061 50 2PZ 0.00726 -0.00044 -0.08062 0.01986 0.00233 51 3S 0.00866 -0.02694 0.12860 -0.18872 0.05487 52 3PX 0.00050 0.00446 -0.02247 0.00190 0.00808 53 3PY 0.00014 0.00038 -0.02897 -0.02719 0.00268 54 3PZ 0.00263 -0.00237 -0.01968 0.01219 0.00727 55 4XX -0.00120 0.00037 -0.01419 0.00289 -0.00136 56 4YY 0.00015 0.00102 0.00714 0.00733 -0.00180 57 4ZZ 0.00048 0.00010 -0.00463 -0.00003 0.00049 58 4XY 0.00019 0.00103 -0.00809 -0.00478 0.00178 59 4XZ -0.00033 0.00044 -0.00622 -0.00762 0.00190 60 4YZ -0.00006 0.00039 -0.00772 0.00424 -0.00014 61 5 H 1S -0.00190 -0.00001 0.11587 0.00000 0.00000 62 2S 0.00654 0.00000 0.03555 0.00000 0.00000 63 6 H 1S -0.00772 0.00000 0.11585 0.00000 0.00001 64 2S 0.00021 0.00000 0.03820 0.00000 0.00000 65 7 O 1S 0.00235 -0.00715 0.07106 -0.02547 0.00812 66 2S -0.00547 0.01658 -0.16574 0.05880 -0.01852 67 2PX -0.01378 0.01548 0.07316 0.18528 -0.05830 68 2PY 0.00428 -0.00677 -0.08876 -0.05657 0.01760 69 2PZ -0.00318 0.00675 0.06652 0.16880 -0.04085 70 3S -0.00823 0.02076 -0.22093 0.08043 -0.03086 71 3PX -0.00676 0.00714 0.02849 0.08559 -0.02718 72 3PY 0.00336 -0.00377 -0.04835 -0.02426 0.00915 73 3PZ -0.00012 0.00251 0.02632 0.07956 -0.01598 74 4XX 0.00056 -0.00102 -0.00023 -0.00599 0.00168 75 4YY -0.00086 0.00046 0.01010 0.00336 -0.00115 76 4ZZ 0.00012 -0.00029 0.00085 -0.00283 0.00068 77 4XY 0.00114 -0.00052 -0.00146 -0.00716 0.00216 78 4XZ -0.00032 -0.00003 0.00109 -0.00506 0.00057 79 4YZ 0.00038 -0.00035 -0.00257 -0.00696 0.00168 80 8 H 1S -0.00059 -0.01420 0.05360 -0.11567 0.02285 81 2S -0.00151 -0.00614 0.01636 -0.04773 0.01077 82 9 H 1S -0.00058 0.01420 0.05359 0.11567 -0.02285 83 2S -0.00151 0.00614 0.01636 0.04773 -0.01077 84 10 C 1S 0.10570 -0.06444 0.01274 -0.00728 -0.08066 85 2S -0.20536 0.12813 -0.02554 0.01532 0.16377 86 2PX -0.00705 0.04458 0.01059 0.00456 0.02123 87 2PY -0.05187 -0.07806 -0.00820 -0.00961 -0.10416 88 2PZ 0.01101 0.03742 -0.00022 -0.00673 -0.00048 89 3S -0.15234 0.07291 -0.02503 0.00480 0.12772 90 3PX 0.00249 -0.00658 0.00269 -0.00316 -0.00807 91 3PY -0.00493 -0.02229 -0.00068 -0.00246 -0.03748 92 3PZ 0.00882 -0.01008 -0.00274 -0.00497 -0.01708 93 4XX 0.00670 0.00004 0.00186 0.00029 -0.00146 94 4YY -0.00490 -0.00641 -0.00089 -0.00069 -0.00748 95 4ZZ 0.00601 0.00096 0.00004 -0.00053 -0.00057 96 4XY -0.00085 -0.00408 0.00012 -0.00033 -0.00109 97 4XZ -0.00472 0.00713 -0.00107 0.00002 0.00613 98 4YZ -0.00176 -0.00269 -0.00031 0.00080 0.00192 99 11 C 1S 0.10572 0.06440 0.01274 0.00727 0.08066 100 2S -0.20540 -0.12806 -0.02553 -0.01530 -0.16378 101 2PX -0.00706 -0.04459 0.01059 -0.00458 -0.02125 102 2PY 0.05184 -0.07807 0.00821 -0.00964 -0.10415 103 2PZ 0.01100 -0.03743 -0.00022 0.00672 0.00047 104 3S -0.15237 -0.07285 -0.02503 -0.00478 -0.12773 105 3PX 0.00249 0.00657 0.00269 0.00316 0.00806 106 3PY 0.00493 -0.02229 0.00068 -0.00246 -0.03749 107 3PZ 0.00882 0.01008 -0.00274 0.00497 0.01708 108 4XX 0.00670 -0.00004 0.00186 -0.00029 0.00146 109 4YY -0.00490 0.00641 -0.00089 0.00069 0.00748 110 4ZZ 0.00601 -0.00096 0.00004 0.00053 0.00057 111 4XY 0.00085 -0.00408 -0.00012 -0.00034 -0.00109 112 4XZ -0.00472 -0.00713 -0.00106 -0.00002 -0.00613 113 4YZ 0.00176 -0.00269 0.00031 0.00080 0.00192 114 12 C 1S 0.00746 0.12444 -0.00049 -0.00481 0.02264 115 2S -0.01417 -0.24080 0.00018 0.01119 -0.04691 116 2PX 0.05829 0.02710 0.01392 -0.00123 0.09492 117 2PY 0.01148 0.00553 -0.00032 -0.00308 0.00526 118 2PZ 0.09022 -0.00674 -0.00712 0.04279 0.13781 119 3S -0.01431 -0.21043 0.00800 0.00039 -0.04358 120 3PX 0.00996 0.00285 -0.00010 -0.00202 0.02376 121 3PY 0.00625 0.00250 -0.00511 0.00312 -0.00098 122 3PZ 0.01542 0.00010 -0.00379 0.01692 0.03504 123 4XX -0.00218 0.00700 -0.00029 -0.00204 -0.00229 124 4YY -0.00061 0.00073 0.00012 0.00009 -0.00081 125 4ZZ 0.00531 0.00138 -0.00010 0.00213 0.00682 126 4XY -0.00503 -0.00333 -0.00124 -0.00048 -0.00396 127 4XZ -0.00164 -0.00666 -0.00099 0.00147 -0.00268 128 4YZ -0.00739 0.00133 0.00059 -0.00148 -0.00523 129 13 C 1S -0.11129 0.06712 0.00650 -0.03433 -0.09318 130 2S 0.21417 -0.13013 -0.01235 0.06895 0.18931 131 2PX 0.00844 0.01551 0.00763 -0.00345 0.01268 132 2PY -0.03642 -0.06529 0.00103 0.03476 0.09507 133 2PZ 0.01722 0.04147 -0.00619 0.00551 0.02003 134 3S 0.18755 -0.10781 -0.01229 0.06572 0.17956 135 3PX 0.00519 0.00524 0.00451 0.00040 0.00931 136 3PY -0.00547 -0.01783 -0.00001 0.00860 0.03889 137 3PZ 0.00638 0.00269 -0.00014 0.00279 0.01637 138 4XX -0.00074 -0.00076 0.00011 0.00151 0.00477 139 4YY 0.00374 0.00741 -0.00015 -0.00368 -0.01016 140 4ZZ -0.00473 -0.00512 0.00047 0.00010 -0.00048 141 4XY 0.00066 0.00119 -0.00021 -0.00017 0.00150 142 4XZ -0.00196 -0.00236 -0.00017 -0.00002 -0.00246 143 4YZ 0.00143 0.00346 0.00009 0.00087 0.00254 144 14 C 1S -0.11132 -0.06709 0.00649 0.03432 0.09318 145 2S 0.21421 0.13006 -0.01233 -0.06894 -0.18931 146 2PX 0.00843 -0.01552 0.00763 0.00344 -0.01270 147 2PY 0.03639 -0.06529 -0.00104 0.03477 0.09508 148 2PZ 0.01721 -0.04148 -0.00619 -0.00549 -0.02001 149 3S 0.18759 0.10775 -0.01226 -0.06571 -0.17955 150 3PX 0.00519 -0.00524 0.00451 -0.00040 -0.00932 151 3PY 0.00546 -0.01783 0.00001 0.00861 0.03889 152 3PZ 0.00638 -0.00270 -0.00014 -0.00279 -0.01635 153 4XX -0.00074 0.00076 0.00011 -0.00151 -0.00477 154 4YY 0.00374 -0.00741 -0.00015 0.00368 0.01016 155 4ZZ -0.00473 0.00513 0.00047 -0.00010 0.00048 156 4XY -0.00066 0.00119 0.00021 -0.00017 0.00150 157 4XZ -0.00196 0.00236 -0.00017 0.00002 0.00246 158 4YZ -0.00143 0.00345 -0.00009 0.00087 0.00255 159 15 C 1S 0.00743 -0.12444 -0.00049 0.00483 -0.02264 160 2S -0.01410 0.24081 0.00018 -0.01122 0.04691 161 2PX 0.05829 -0.02711 0.01393 0.00121 -0.09494 162 2PY -0.01150 0.00554 0.00031 -0.00305 0.00530 163 2PZ 0.09022 0.00671 -0.00711 -0.04278 -0.13780 164 3S -0.01424 0.21043 0.00800 -0.00043 0.04358 165 3PX 0.00996 -0.00285 -0.00010 0.00201 -0.02376 166 3PY -0.00626 0.00250 0.00511 0.00313 -0.00097 167 3PZ 0.01542 -0.00011 -0.00379 -0.01691 -0.03504 168 4XX -0.00218 -0.00700 -0.00029 0.00204 0.00229 169 4YY -0.00061 -0.00073 0.00012 -0.00009 0.00081 170 4ZZ 0.00531 -0.00138 -0.00010 -0.00213 -0.00682 171 4XY 0.00503 -0.00333 0.00124 -0.00048 -0.00396 172 4XZ -0.00163 0.00666 -0.00099 -0.00147 0.00267 173 4YZ 0.00739 0.00133 -0.00059 -0.00148 -0.00523 174 16 H 1S -0.06122 0.03838 -0.01005 0.00876 0.08123 175 2S -0.01269 0.00262 -0.00389 0.00344 0.02734 176 17 H 1S -0.06123 -0.03835 -0.01005 -0.00876 -0.08124 177 2S -0.01269 -0.00261 -0.00389 -0.00344 -0.02734 178 18 H 1S -0.00150 -0.07839 0.00120 0.00005 -0.01615 179 2S -0.00162 -0.01907 0.00015 -0.00331 -0.00473 180 19 H 1S 0.07057 -0.04276 -0.00107 0.03079 0.09334 181 2S 0.01290 -0.00874 -0.00180 0.01475 0.03179 182 20 H 1S 0.07058 0.04274 -0.00106 -0.03078 -0.09334 183 2S 0.01290 0.00873 -0.00180 -0.01474 -0.03179 184 21 H 1S -0.00148 0.07839 0.00120 -0.00008 0.01615 185 2S -0.00161 0.01907 0.00015 0.00330 0.00473 186 22 H 1S 0.06841 -0.04375 -0.00808 0.03306 0.08667 187 2S 0.01612 -0.00724 -0.00285 0.01302 0.03160 188 23 H 1S 0.06843 0.04373 -0.00807 -0.03305 -0.08667 189 2S 0.01613 0.00723 -0.00284 -0.01301 -0.03160 21 22 23 24 25 O O O O O Eigenvalues -- -0.58468 -0.53237 -0.51154 -0.49418 -0.47020 1 1 C 1S 0.00936 -0.01088 -0.00407 0.00035 -0.00589 2 2S -0.02080 0.02184 0.00862 -0.00108 0.01079 3 2PX -0.02354 -0.04637 -0.05096 0.03425 -0.05261 4 2PY -0.04754 -0.19530 -0.06027 0.03874 -0.01150 5 2PZ 0.00370 -0.15381 0.06747 -0.01084 -0.03788 6 3S -0.00963 0.04436 0.01529 -0.00642 0.01816 7 3PX -0.00746 -0.00762 -0.02763 0.01432 -0.01824 8 3PY -0.01394 -0.06105 -0.01984 0.01141 -0.00886 9 3PZ 0.00436 -0.05091 0.03234 -0.00446 -0.00578 10 4XX 0.00152 -0.00174 -0.00691 0.00150 -0.00273 11 4YY -0.00087 0.00133 -0.00001 0.00014 0.00111 12 4ZZ 0.00115 0.00280 0.00727 -0.00239 0.00126 13 4XY -0.00092 -0.00669 -0.00442 0.00440 0.00558 14 4XZ -0.00110 -0.00280 0.00205 0.00093 -0.00325 15 4YZ -0.00074 -0.00165 -0.00111 0.00030 0.00424 16 2 O 1S -0.00787 -0.02952 -0.00277 0.01110 0.00414 17 2S 0.01892 0.06741 0.00642 -0.02494 -0.00879 18 2PX 0.00462 0.05353 -0.16048 0.03338 0.06324 19 2PY -0.02736 -0.19858 -0.08019 0.06939 0.01145 20 2PZ 0.00850 -0.05737 0.12565 -0.03151 0.05853 21 3S 0.02410 0.09922 0.00696 -0.04169 -0.02137 22 3PX 0.00459 0.03584 -0.08928 0.01746 0.03350 23 3PY -0.01586 -0.11636 -0.04814 0.04077 0.00386 24 3PZ 0.00532 -0.02721 0.07606 -0.01900 0.02976 25 4XX 0.00143 0.00629 0.00441 -0.00253 0.00040 26 4YY -0.00199 -0.01676 -0.00726 0.00596 0.00109 27 4ZZ 0.00065 0.00841 0.00325 -0.00174 0.00074 28 4XY 0.00204 0.01180 -0.00815 0.00046 0.00280 29 4XZ 0.00007 0.00512 -0.00055 -0.00080 0.00002 30 4YZ 0.00149 0.00143 0.01119 -0.00382 0.00236 31 3 C 1S -0.00096 -0.01077 -0.00554 -0.00027 0.00000 32 2S 0.00286 0.02344 0.00836 0.00201 0.00001 33 2PX 0.01562 0.22011 -0.14689 0.00046 -0.00004 34 2PY 0.00002 -0.00001 -0.00003 0.00002 -0.07078 35 2PZ 0.00729 0.07973 0.30138 -0.09949 0.00007 36 3S 0.00474 0.04138 0.02727 -0.00855 0.00001 37 3PX 0.00845 0.08451 -0.07300 0.00356 -0.00001 38 3PY 0.00001 0.00000 -0.00001 0.00001 -0.02804 39 3PZ 0.00408 0.01924 0.11941 -0.04302 0.00003 40 4XX -0.00055 -0.00014 -0.00211 0.00084 0.00000 41 4YY 0.00114 -0.00245 -0.00482 0.00048 0.00000 42 4ZZ -0.00100 -0.00010 0.00614 -0.00098 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00227 44 4XZ -0.00164 -0.01453 -0.00686 0.00449 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00290 46 4 C 1S 0.00938 -0.01088 -0.00407 0.00035 0.00588 47 2S -0.02083 0.02184 0.00862 -0.00108 -0.01077 48 2PX -0.02356 -0.04637 -0.05097 0.03423 0.05262 49 2PY 0.04752 0.19533 0.06025 -0.03874 -0.01149 50 2PZ 0.00371 -0.15377 0.06749 -0.01085 0.03788 51 3S -0.00966 0.04435 0.01529 -0.00642 -0.01816 52 3PX -0.00746 -0.00762 -0.02764 0.01432 0.01824 53 3PY 0.01394 0.06106 0.01984 -0.01141 -0.00885 54 3PZ 0.00437 -0.05090 0.03234 -0.00446 0.00578 55 4XX 0.00152 -0.00174 -0.00691 0.00150 0.00273 56 4YY -0.00087 0.00133 -0.00001 0.00014 -0.00111 57 4ZZ 0.00115 0.00280 0.00727 -0.00239 -0.00125 58 4XY 0.00091 0.00669 0.00442 -0.00441 0.00558 59 4XZ -0.00110 -0.00280 0.00205 0.00093 0.00326 60 4YZ 0.00074 0.00165 0.00110 -0.00030 0.00424 61 5 H 1S 0.00034 0.02998 0.17195 -0.04819 0.00005 62 2S -0.00428 0.02516 0.10560 -0.02521 0.00003 63 6 H 1S 0.00690 0.10833 -0.09034 0.00870 -0.00003 64 2S 0.00243 0.06408 -0.05002 0.00280 -0.00002 65 7 O 1S -0.00787 -0.02952 -0.00277 0.01110 -0.00414 66 2S 0.01893 0.06741 0.00642 -0.02494 0.00879 67 2PX 0.00466 0.05353 -0.16047 0.03339 -0.06332 68 2PY 0.02735 0.19859 0.08016 -0.06939 0.01149 69 2PZ 0.00854 -0.05733 0.12567 -0.03150 -0.05849 70 3S 0.02411 0.09922 0.00696 -0.04170 0.02138 71 3PX 0.00461 0.03584 -0.08927 0.01747 -0.03354 72 3PY 0.01586 0.11636 0.04812 -0.04077 0.00388 73 3PZ 0.00535 -0.02719 0.07608 -0.01900 -0.02974 74 4XX 0.00143 0.00629 0.00441 -0.00253 -0.00040 75 4YY -0.00198 -0.01676 -0.00726 0.00596 -0.00110 76 4ZZ 0.00065 0.00841 0.00325 -0.00174 -0.00074 77 4XY -0.00205 -0.01180 0.00815 -0.00047 0.00280 78 4XZ 0.00007 0.00511 -0.00055 -0.00080 -0.00002 79 4YZ -0.00149 -0.00144 -0.01119 0.00382 0.00235 80 8 H 1S 0.00745 0.12876 0.00465 -0.00974 -0.03701 81 2S 0.00579 0.07793 0.00772 -0.00247 -0.02723 82 9 H 1S 0.00747 0.12876 0.00465 -0.00975 0.03702 83 2S 0.00580 0.07793 0.00772 -0.00248 0.02725 84 10 C 1S 0.05700 -0.00370 -0.00459 -0.00524 0.06954 85 2S -0.11519 0.00604 0.00983 0.00986 -0.14349 86 2PX 0.08938 -0.01931 -0.02769 -0.11647 0.06289 87 2PY -0.13463 0.00267 -0.00745 -0.12251 0.08209 88 2PZ 0.08848 -0.03278 -0.05976 -0.14405 0.07087 89 3S -0.10504 0.01671 0.01740 0.01926 -0.15379 90 3PX 0.02722 -0.00291 -0.00620 -0.03703 0.02734 91 3PY -0.02908 -0.00142 -0.00400 -0.03502 0.03357 92 3PZ 0.02888 -0.00949 -0.01936 -0.04669 0.03177 93 4XX 0.00702 -0.00040 0.00076 -0.00090 0.00320 94 4YY -0.00385 0.00038 0.00100 0.00204 0.00904 95 4ZZ 0.00294 -0.00007 -0.00049 0.00341 -0.00280 96 4XY -0.00455 0.00015 0.00021 -0.00210 -0.00786 97 4XZ 0.00046 -0.00055 -0.00003 0.00131 -0.00556 98 4YZ -0.00466 0.00026 0.00027 -0.00046 -0.00926 99 11 C 1S 0.05700 -0.00370 -0.00456 -0.00525 -0.06954 100 2S -0.11520 0.00603 0.00978 0.00987 0.14349 101 2PX 0.08940 -0.01931 -0.02768 -0.11645 -0.06288 102 2PY 0.13460 -0.00267 0.00743 0.12255 0.08214 103 2PZ 0.08850 -0.03279 -0.05975 -0.14404 -0.07086 104 3S -0.10505 0.01671 0.01735 0.01927 0.15380 105 3PX 0.02722 -0.00291 -0.00619 -0.03702 -0.02733 106 3PY 0.02907 0.00142 0.00399 0.03503 0.03359 107 3PZ 0.02889 -0.00949 -0.01935 -0.04668 -0.03176 108 4XX 0.00703 -0.00040 0.00076 -0.00090 -0.00320 109 4YY -0.00385 0.00038 0.00101 0.00204 -0.00904 110 4ZZ 0.00294 -0.00007 -0.00049 0.00341 0.00280 111 4XY 0.00455 -0.00015 -0.00020 0.00210 -0.00786 112 4XZ 0.00046 -0.00055 -0.00003 0.00132 0.00555 113 4YZ 0.00465 -0.00026 -0.00027 0.00046 -0.00926 114 12 C 1S -0.10221 0.01243 0.00591 -0.00758 0.06160 115 2S 0.20674 -0.02605 -0.01125 0.01797 -0.12766 116 2PX 0.00355 0.00929 0.04269 0.01431 -0.07389 117 2PY 0.07521 0.01895 0.04311 0.19958 -0.11921 118 2PZ -0.00523 -0.00864 -0.02145 -0.01119 -0.01967 119 3S 0.19341 -0.02643 -0.01499 0.01836 -0.14638 120 3PX 0.00839 0.00957 0.01713 -0.00485 -0.03068 121 3PY 0.03143 0.00913 0.02111 0.08102 -0.04702 122 3PZ -0.00418 -0.00263 -0.00587 -0.01018 -0.00078 123 4XX -0.00818 0.00096 0.00299 -0.00020 0.00863 124 4YY 0.00404 -0.00063 0.00065 0.00238 -0.01114 125 4ZZ -0.00854 0.00206 0.00006 0.00181 0.00992 126 4XY 0.00041 0.00000 -0.00187 -0.00216 0.00004 127 4XZ -0.00002 -0.00128 0.00078 0.00152 0.00499 128 4YZ -0.00150 -0.00002 0.00103 -0.00081 0.00208 129 13 C 1S 0.04252 -0.00808 0.00682 -0.00557 -0.04544 130 2S -0.08562 0.01802 -0.01495 0.01014 0.09133 131 2PX -0.02395 0.00211 0.09665 0.03188 0.00769 132 2PY 0.07743 -0.00185 0.02339 0.08418 0.03414 133 2PZ -0.10177 0.03755 0.00527 0.10170 0.10454 134 3S -0.08413 0.01121 -0.01994 0.02786 0.12228 135 3PX -0.00902 -0.00468 0.04047 0.01507 0.00724 136 3PY 0.02420 -0.00042 0.00272 0.03835 0.00864 137 3PZ -0.03481 0.01451 -0.00661 0.04013 0.04435 138 4XX -0.00235 0.00083 0.00328 0.00497 0.00641 139 4YY -0.00228 0.00097 -0.00078 0.00096 -0.00755 140 4ZZ 0.00760 -0.00105 -0.00188 -0.00214 -0.00294 141 4XY -0.00165 0.00026 0.00069 -0.00075 0.00126 142 4XZ 0.00378 -0.00097 0.00063 -0.00322 -0.00274 143 4YZ -0.00494 0.00010 -0.00095 -0.00328 0.00987 144 14 C 1S 0.04252 -0.00808 0.00682 -0.00557 0.04544 145 2S -0.08563 0.01802 -0.01495 0.01014 -0.09134 146 2PX -0.02396 0.00211 0.09666 0.03187 -0.00779 147 2PY -0.07741 0.00184 -0.02338 -0.08420 0.03414 148 2PZ -0.10178 0.03755 0.00527 0.10168 -0.10450 149 3S -0.08413 0.01120 -0.01993 0.02787 -0.12230 150 3PX -0.00902 -0.00469 0.04046 0.01506 -0.00729 151 3PY -0.02419 0.00042 -0.00271 -0.03836 0.00864 152 3PZ -0.03482 0.01451 -0.00661 0.04012 -0.04433 153 4XX -0.00235 0.00082 0.00329 0.00497 -0.00641 154 4YY -0.00228 0.00097 -0.00078 0.00095 0.00754 155 4ZZ 0.00760 -0.00105 -0.00189 -0.00213 0.00294 156 4XY 0.00165 -0.00026 -0.00069 0.00075 0.00126 157 4XZ 0.00378 -0.00097 0.00063 -0.00323 0.00274 158 4YZ 0.00494 -0.00010 0.00095 0.00328 0.00987 159 15 C 1S -0.10221 0.01243 0.00593 -0.00757 -0.06160 160 2S 0.20674 -0.02605 -0.01129 0.01797 0.12767 161 2PX 0.00354 0.00928 0.04264 0.01427 0.07384 162 2PY -0.07521 -0.01894 -0.04309 -0.19958 -0.11925 163 2PZ -0.00525 -0.00864 -0.02149 -0.01122 0.01965 164 3S 0.19340 -0.02642 -0.01502 0.01836 0.14637 165 3PX 0.00838 0.00956 0.01711 -0.00486 0.03066 166 3PY -0.03143 -0.00912 -0.02110 -0.08101 -0.04705 167 3PZ -0.00419 -0.00263 -0.00588 -0.01019 0.00077 168 4XX -0.00818 0.00096 0.00300 -0.00020 -0.00863 169 4YY 0.00404 -0.00063 0.00064 0.00238 0.01114 170 4ZZ -0.00854 0.00206 0.00006 0.00181 -0.00992 171 4XY -0.00041 0.00000 0.00187 0.00216 0.00005 172 4XZ -0.00002 -0.00128 0.00078 0.00152 -0.00499 173 4YZ 0.00150 0.00002 -0.00103 0.00081 0.00209 174 16 H 1S -0.06453 0.01841 0.03456 0.12050 -0.13842 175 2S -0.02740 0.01176 0.02239 0.08522 -0.08665 176 17 H 1S -0.06454 0.01841 0.03452 0.12050 0.13843 177 2S -0.02740 0.01176 0.02237 0.08523 0.08666 178 18 H 1S 0.11678 0.00021 0.02013 0.11151 -0.13178 179 2S 0.05092 0.00380 0.01351 0.06812 -0.08343 180 19 H 1S -0.04246 0.01138 0.05537 0.04764 0.06776 181 2S -0.01761 0.01371 0.05148 0.02204 0.03710 182 20 H 1S -0.04246 0.01138 0.05539 0.04761 -0.06777 183 2S -0.01761 0.01371 0.05150 0.02203 -0.03710 184 21 H 1S 0.11678 0.00021 0.02010 0.11150 0.13179 185 2S 0.05092 0.00380 0.01349 0.06812 0.08344 186 22 H 1S -0.04640 0.01879 -0.03240 0.04630 0.08456 187 2S -0.02136 0.00974 -0.01512 0.03114 0.05216 188 23 H 1S -0.04641 0.01879 -0.03239 0.04632 -0.08452 189 2S -0.02136 0.00974 -0.01511 0.03115 -0.05213 26 27 28 29 30 O O O O O Eigenvalues -- -0.44671 -0.44355 -0.44104 -0.40558 -0.39790 1 1 C 1S -0.04334 0.00850 -0.00356 -0.00432 -0.00571 2 2S 0.08672 -0.02298 0.01065 0.00806 0.00806 3 2PX -0.13359 -0.09446 0.13120 -0.02800 0.01139 4 2PY -0.07239 0.02208 -0.00089 0.01149 -0.00266 5 2PZ -0.20086 -0.03042 0.16383 -0.02585 -0.02553 6 3S 0.13910 -0.00863 0.01251 0.01682 0.04801 7 3PX -0.03564 -0.03419 0.04727 -0.00534 0.00373 8 3PY -0.00526 0.00617 -0.00329 -0.00034 0.01917 9 3PZ -0.05305 -0.00397 0.06050 -0.00697 -0.01614 10 4XX -0.01110 0.00028 0.00659 -0.00395 0.00160 11 4YY 0.00182 0.00045 -0.00230 0.00138 -0.00149 12 4ZZ 0.00420 0.00122 -0.00650 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 0.00206 -0.00452 0.00011 0.00320 16 2 O 1S 0.01680 -0.01268 0.02331 -0.00419 -0.00046 17 2S -0.03654 0.02834 -0.05156 0.00895 0.00285 18 2PX 0.20198 0.12873 -0.15375 0.02087 0.04589 19 2PY 0.02964 -0.00070 -0.02246 -0.01390 0.02108 20 2PZ 0.12173 0.05265 -0.18961 0.04673 -0.05294 21 3S -0.08737 0.04956 -0.10459 0.01780 -0.00123 22 3PX 0.10903 0.07171 -0.08060 0.01160 0.03278 23 3PY 0.00785 -0.00893 -0.00850 -0.00961 0.01281 24 3PZ 0.05878 0.02979 -0.10566 0.03041 -0.03687 25 4XX -0.00009 -0.00067 0.00830 -0.00066 -0.00101 26 4YY 0.00227 -0.00028 -0.00208 -0.00071 0.00156 27 4ZZ 0.00539 -0.00301 0.00038 -0.00006 0.00122 28 4XY 0.00859 0.00644 -0.00493 0.00083 0.00145 29 4XZ 0.00199 -0.00354 0.00343 -0.00036 0.00144 30 4YZ 0.00511 0.00045 -0.00949 0.00241 -0.00199 31 3 C 1S 0.00001 0.01987 -0.02040 -0.00014 -0.00001 32 2S -0.00001 -0.04360 0.04006 0.00102 0.00001 33 2PX 0.00007 0.00865 0.29899 -0.03914 -0.00003 34 2PY -0.19148 0.00011 0.00002 0.00001 -0.00993 35 2PZ -0.00013 -0.19840 0.06920 0.01122 0.00001 36 3S -0.00001 -0.05148 0.05403 0.00650 0.00002 37 3PX 0.00002 -0.00575 0.10989 -0.00774 -0.00001 38 3PY -0.08924 0.00005 0.00001 0.00000 0.00178 39 3PZ -0.00006 -0.08661 0.01954 0.01502 0.00001 40 4XX 0.00000 -0.00317 0.02270 -0.00375 0.00000 41 4YY 0.00000 0.01639 -0.02990 0.00468 0.00000 42 4ZZ 0.00000 -0.01230 0.00792 -0.00148 0.00000 43 4XY 0.00391 0.00000 0.00000 0.00000 -0.00212 44 4XZ 0.00000 0.00184 -0.00456 -0.00025 0.00000 45 4YZ 0.00850 0.00000 -0.00001 0.00000 0.00433 46 4 C 1S 0.04335 0.00846 -0.00357 -0.00432 0.00571 47 2S -0.08674 -0.02289 0.01068 0.00808 -0.00806 48 2PX 0.13353 -0.09458 0.13115 -0.02800 -0.01139 49 2PY -0.07245 -0.02201 0.00089 -0.01147 -0.00262 50 2PZ 0.20087 -0.03062 0.16376 -0.02589 0.02551 51 3S -0.13910 -0.00850 0.01256 0.01685 -0.04802 52 3PX 0.03562 -0.03422 0.04726 -0.00534 -0.00372 53 3PY -0.00528 -0.00616 0.00328 0.00033 0.01918 54 3PZ 0.05307 -0.00403 0.06048 -0.00699 0.01614 55 4XX 0.01110 0.00027 0.00659 -0.00396 -0.00160 56 4YY -0.00183 0.00046 -0.00230 0.00138 0.00149 57 4ZZ -0.00420 0.00122 -0.00650 0.00176 0.00185 58 4XY 0.01347 -0.00070 0.00450 -0.00022 -0.00121 59 4XZ 0.00595 -0.00538 0.00273 -0.00138 0.00025 60 4YZ 0.02186 -0.00208 0.00452 -0.00011 0.00320 61 5 H 1S -0.00007 -0.12927 0.03820 0.00245 0.00001 62 2S -0.00004 -0.07777 0.03192 -0.01652 0.00000 63 6 H 1S 0.00004 -0.00168 0.19585 -0.02668 -0.00002 64 2S 0.00003 0.00842 0.14793 -0.02503 -0.00002 65 7 O 1S -0.01680 -0.01267 0.02331 -0.00419 0.00047 66 2S 0.03654 0.02831 -0.05157 0.00895 -0.00287 67 2PX -0.20189 0.12893 -0.15367 0.02091 -0.04591 68 2PY 0.02966 0.00066 0.02249 0.01388 0.02102 69 2PZ -0.12174 0.05274 -0.18957 0.04672 0.05296 70 3S 0.08737 0.04948 -0.10462 0.01779 0.00119 71 3PX -0.10898 0.07181 -0.08056 0.01163 -0.03279 72 3PY 0.00787 0.00891 0.00852 0.00960 0.01277 73 3PZ -0.05879 0.02984 -0.10564 0.03040 0.03688 74 4XX 0.00009 -0.00067 0.00830 -0.00066 0.00101 75 4YY -0.00227 -0.00028 -0.00208 -0.00071 -0.00156 76 4ZZ -0.00539 -0.00300 0.00038 -0.00006 -0.00122 77 4XY 0.00858 -0.00645 0.00492 -0.00083 0.00145 78 4XZ -0.00199 -0.00354 0.00343 -0.00036 -0.00144 79 4YZ 0.00511 -0.00045 0.00949 -0.00241 -0.00199 80 8 H 1S -0.18979 0.01014 -0.08950 0.01444 -0.01385 81 2S -0.14822 0.01124 -0.07275 0.00772 -0.00331 82 9 H 1S 0.18977 0.00996 -0.08957 0.01441 0.01388 83 2S 0.14821 0.01110 -0.07281 0.00770 0.00333 84 10 C 1S -0.01120 0.00124 -0.00257 0.00504 -0.00673 85 2S 0.02096 -0.00226 0.00788 -0.01054 0.01763 86 2PX -0.01419 0.00933 -0.03105 -0.15433 0.12095 87 2PY -0.01095 0.05724 0.03611 0.19644 0.01496 88 2PZ -0.03531 -0.05807 -0.01678 -0.07680 0.16402 89 3S 0.03569 -0.00525 -0.00336 -0.01432 0.02551 90 3PX 0.00017 0.00838 -0.01600 -0.06152 0.01628 91 3PY 0.00469 0.01738 0.01231 0.07222 0.03694 92 3PZ -0.01228 -0.02817 -0.00606 -0.02508 0.03667 93 4XX 0.00010 0.00217 -0.00088 -0.00437 0.00156 94 4YY -0.00214 0.00037 0.00117 0.00309 -0.00776 95 4ZZ -0.00008 -0.00265 0.00010 0.00260 0.00083 96 4XY 0.00198 0.00173 0.00027 0.00083 -0.00671 97 4XZ 0.00022 -0.00064 0.00069 -0.00131 0.00156 98 4YZ 0.00367 0.00011 0.00047 0.00074 -0.01097 99 11 C 1S 0.01120 0.00120 -0.00259 0.00504 0.00674 100 2S -0.02096 -0.00220 0.00791 -0.01054 -0.01764 101 2PX 0.01416 0.00926 -0.03107 -0.15429 -0.12104 102 2PY -0.01103 -0.05719 -0.03608 -0.19641 0.01487 103 2PZ 0.03524 -0.05816 -0.01681 -0.07672 -0.16408 104 3S -0.03569 -0.00516 -0.00333 -0.01434 -0.02553 105 3PX -0.00017 0.00837 -0.01601 -0.06152 -0.01631 106 3PY 0.00466 -0.01737 -0.01230 -0.07223 0.03690 107 3PZ 0.01224 -0.02820 -0.00607 -0.02507 -0.03668 108 4XX -0.00010 0.00217 -0.00089 -0.00437 -0.00157 109 4YY 0.00214 0.00037 0.00117 0.00309 0.00777 110 4ZZ 0.00008 -0.00265 0.00010 0.00260 -0.00083 111 4XY 0.00198 -0.00173 -0.00027 -0.00082 -0.00671 112 4XZ -0.00022 -0.00064 0.00069 -0.00131 -0.00156 113 4YZ 0.00367 -0.00012 -0.00047 -0.00073 -0.01097 114 12 C 1S -0.02374 -0.00058 -0.00395 -0.00060 0.02736 115 2S 0.04993 -0.00101 0.00774 0.00101 -0.06302 116 2PX -0.01203 0.10545 0.03942 0.12509 0.10106 117 2PY 0.02919 -0.01635 0.00076 0.03515 0.25433 118 2PZ 0.02251 0.00100 0.04134 0.23683 -0.03096 119 3S 0.05784 0.01167 0.01690 0.01220 -0.09500 120 3PX -0.00312 0.04404 0.01134 0.03646 0.04769 121 3PY 0.00934 -0.01976 -0.00856 0.00708 0.07515 122 3PZ 0.02116 -0.00503 0.01306 0.08431 -0.01001 123 4XX -0.00268 -0.00004 0.00022 -0.00440 -0.00057 124 4YY 0.00332 0.00143 0.00081 0.00260 0.01169 125 4ZZ -0.00431 -0.00110 -0.00159 0.00350 -0.00279 126 4XY 0.00059 -0.00365 -0.00091 -0.00120 -0.00320 127 4XZ 0.00067 0.00388 0.00245 -0.00455 0.00024 128 4YZ -0.00094 0.00053 -0.00121 -0.00457 -0.00081 129 13 C 1S 0.01410 -0.00518 -0.00044 0.00002 0.00885 130 2S -0.03009 0.01145 0.00052 0.00169 -0.01672 131 2PX -0.01786 0.22940 0.07296 -0.12360 0.12740 132 2PY -0.01118 -0.01030 0.01420 0.14019 0.01426 133 2PZ -0.04258 -0.10548 -0.07152 -0.15616 0.07834 134 3S -0.04059 0.01712 0.00841 0.00240 -0.05379 135 3PX 0.00232 0.10343 0.03543 -0.05639 0.06028 136 3PY -0.00918 0.00082 0.01009 0.06578 0.03114 137 3PZ -0.02057 -0.04030 -0.02589 -0.07064 0.02678 138 4XX -0.00244 0.00088 -0.00017 -0.00463 0.00344 139 4YY 0.00212 0.00102 -0.00008 -0.00205 0.00505 140 4ZZ 0.00061 -0.00332 -0.00083 0.00507 -0.00687 141 4XY -0.00150 0.00302 0.00087 -0.00124 0.00780 142 4XZ 0.00134 0.00828 0.00354 -0.00200 -0.00167 143 4YZ -0.00352 -0.00012 -0.00057 -0.00273 0.00142 144 14 C 1S -0.01410 -0.00514 -0.00043 0.00003 -0.00885 145 2S 0.03010 0.01138 0.00049 0.00168 0.01673 146 2PX 0.01813 0.22935 0.07295 -0.12350 -0.12751 147 2PY -0.01120 0.01038 -0.01417 -0.14017 0.01425 148 2PZ 0.04243 -0.10561 -0.07156 -0.15614 -0.07843 149 3S 0.04061 0.01703 0.00839 0.00238 0.05380 150 3PX -0.00220 0.10342 0.03544 -0.05635 -0.06034 151 3PY -0.00920 -0.00078 -0.01008 -0.06579 0.03113 152 3PZ 0.02051 -0.04036 -0.02592 -0.07065 -0.02682 153 4XX 0.00244 0.00088 -0.00017 -0.00463 -0.00344 154 4YY -0.00212 0.00103 -0.00008 -0.00205 -0.00505 155 4ZZ -0.00061 -0.00332 -0.00083 0.00507 0.00688 156 4XY -0.00150 -0.00302 -0.00087 0.00124 0.00780 157 4XZ -0.00133 0.00827 0.00354 -0.00200 0.00167 158 4YZ -0.00352 0.00013 0.00057 0.00272 0.00142 159 15 C 1S 0.02373 -0.00063 -0.00396 -0.00059 -0.02737 160 2S -0.04993 -0.00091 0.00778 0.00098 0.06302 161 2PX 0.01216 0.10545 0.03942 0.12517 -0.10092 162 2PY 0.02920 0.01627 -0.00079 -0.03534 0.25432 163 2PZ -0.02247 0.00101 0.04133 0.23680 0.03117 164 3S -0.05781 0.01179 0.01694 0.01213 0.09502 165 3PX 0.00317 0.04405 0.01135 0.03650 -0.04765 166 3PY 0.00936 0.01973 0.00855 -0.00715 0.07515 167 3PZ -0.02115 -0.00502 0.01307 0.08430 0.01008 168 4XX 0.00268 -0.00005 0.00022 -0.00440 0.00056 169 4YY -0.00332 0.00144 0.00081 0.00260 -0.01169 170 4ZZ 0.00431 -0.00112 -0.00159 0.00350 0.00279 171 4XY 0.00059 0.00365 0.00091 0.00121 -0.00320 172 4XZ -0.00067 0.00387 0.00245 -0.00454 -0.00024 173 4YZ -0.00094 -0.00052 0.00121 0.00457 -0.00081 174 16 H 1S 0.03402 0.00329 0.00878 0.01611 -0.11250 175 2S 0.02852 0.00143 0.00537 0.01595 -0.10978 176 17 H 1S -0.03400 0.00339 0.00882 0.01603 0.11251 177 2S -0.02851 0.00150 0.00539 0.01587 0.10980 178 18 H 1S 0.03818 -0.00211 0.00456 0.02001 0.13988 179 2S 0.02417 0.00269 0.00595 0.01912 0.14217 180 19 H 1S -0.03164 0.09956 0.02826 -0.06374 0.08251 181 2S -0.02291 0.06368 0.00951 -0.04922 0.07450 182 20 H 1S 0.03175 0.09950 0.02825 -0.06365 -0.08257 183 2S 0.02297 0.06364 0.00949 -0.04914 -0.07455 184 21 H 1S -0.03818 -0.00202 0.00460 0.02008 -0.13986 185 2S -0.02416 0.00274 0.00597 0.01918 -0.14215 186 22 H 1S -0.02585 -0.12769 -0.05405 0.01226 -0.02407 187 2S -0.01210 -0.10023 -0.04367 0.00927 -0.01495 188 23 H 1S 0.02571 -0.12774 -0.05408 0.01220 0.02405 189 2S 0.01198 -0.10026 -0.04368 0.00922 0.01493 31 32 33 34 35 O O O O O Eigenvalues -- -0.38963 -0.38415 -0.37329 -0.35526 -0.34882 1 1 C 1S 0.01689 0.00694 -0.01729 -0.03094 -0.00027 2 2S -0.03769 -0.01690 0.03518 0.07034 0.00351 3 2PX 0.11954 0.02816 -0.05553 0.07431 0.12388 4 2PY -0.23107 -0.11831 -0.00832 0.00353 0.18252 5 2PZ -0.09962 -0.03292 0.08250 0.04468 -0.12769 6 3S -0.05887 -0.02340 0.07144 0.10610 0.00158 7 3PX 0.05941 0.01762 -0.05556 -0.00859 0.08671 8 3PY -0.05968 -0.02882 0.01932 0.05217 0.05865 9 3PZ -0.04602 -0.00577 0.03759 -0.01250 -0.08090 10 4XX 0.01016 0.00358 -0.00612 0.00543 0.00040 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 0.00675 0.00170 0.00604 0.00330 0.00188 14 4XZ 0.00732 0.00269 0.00250 0.00900 -0.00648 15 4YZ 0.00406 0.00261 -0.00412 0.00351 -0.00620 16 2 O 1S 0.03751 0.01425 0.01760 0.03612 -0.01841 17 2S -0.07463 -0.02608 -0.03963 -0.07271 0.03595 18 2PX -0.04361 -0.02397 -0.17541 -0.06751 0.13864 19 2PY 0.20893 0.08341 0.09709 0.41169 -0.10602 20 2PZ -0.11687 -0.03174 0.20956 -0.03325 -0.09790 21 3S -0.17861 -0.07433 -0.06341 -0.13344 0.08451 22 3PX -0.02996 -0.01452 -0.12786 -0.04962 0.09598 23 3PY 0.12845 0.05036 0.06183 0.27482 -0.06919 24 3PZ -0.07702 -0.02160 0.13955 -0.02377 -0.06029 25 4XX -0.00403 -0.00040 0.00513 -0.00060 -0.01004 26 4YY 0.01542 0.00641 0.00348 0.02029 -0.00698 27 4ZZ 0.00532 0.00242 -0.00345 -0.00181 0.00747 28 4XY -0.00010 0.00003 -0.00861 -0.00813 0.00211 29 4XZ 0.00067 0.00041 -0.00243 0.00199 0.00135 30 4YZ -0.00249 0.00081 0.00771 -0.00315 -0.00640 31 3 C 1S -0.03130 -0.01593 0.00001 0.00000 0.02086 32 2S 0.07640 0.03965 -0.00002 0.00000 -0.05254 33 2PX -0.15448 -0.07159 0.00002 -0.00001 -0.06520 34 2PY 0.00000 0.00000 -0.06917 -0.17972 -0.00002 35 2PZ -0.01810 0.00013 -0.00001 -0.00002 0.17944 36 3S 0.08254 0.04564 -0.00002 0.00001 -0.06788 37 3PX -0.06702 -0.03035 0.00001 -0.00001 -0.00660 38 3PY 0.00000 0.00000 -0.02101 -0.00551 0.00000 39 3PZ -0.02679 0.00025 0.00000 0.00000 0.04819 40 4XX -0.00403 -0.00156 0.00000 0.00000 -0.01842 41 4YY -0.01126 -0.00388 0.00000 0.00000 0.00293 42 4ZZ 0.01304 0.00461 0.00000 0.00000 0.01774 43 4XY 0.00000 0.00000 0.01652 0.01811 0.00000 44 4XZ 0.00785 0.00305 0.00000 0.00000 -0.00391 45 4YZ 0.00000 0.00000 -0.00762 0.01714 0.00000 46 4 C 1S 0.01689 0.00694 0.01729 0.03095 -0.00027 47 2S -0.03769 -0.01690 -0.03517 -0.07035 0.00351 48 2PX 0.11956 0.02817 0.05553 -0.07432 0.12388 49 2PY 0.23109 0.11832 -0.00839 0.00356 -0.18250 50 2PZ -0.09960 -0.03291 -0.08251 -0.04468 -0.12772 51 3S -0.05887 -0.02341 -0.07142 -0.10611 0.00159 52 3PX 0.05942 0.01763 0.05557 0.00859 0.08671 53 3PY 0.05969 0.02882 0.01930 0.05217 -0.05864 54 3PZ -0.04602 -0.00577 -0.03759 0.01252 -0.08091 55 4XX 0.01016 0.00359 0.00611 -0.00543 0.00039 56 4YY -0.00909 -0.00439 0.00395 0.01151 0.00543 57 4ZZ 0.00693 0.00473 -0.00790 -0.00274 -0.00897 58 4XY -0.00675 -0.00170 0.00604 0.00330 -0.00188 59 4XZ 0.00732 0.00269 -0.00251 -0.00900 -0.00648 60 4YZ -0.00407 -0.00262 -0.00412 0.00351 0.00620 61 5 H 1S 0.05619 0.02391 -0.00001 0.00000 0.12007 62 2S 0.05455 0.01111 -0.00001 0.00000 0.15195 63 6 H 1S -0.05864 -0.02633 0.00001 0.00000 -0.10328 64 2S -0.06677 -0.02973 0.00001 0.00000 -0.09892 65 7 O 1S 0.03751 0.01425 -0.01760 -0.03612 -0.01841 66 2S -0.07463 -0.02607 0.03965 0.07271 0.03595 67 2PX -0.04357 -0.02394 0.17543 0.06750 0.13861 68 2PY -0.20891 -0.08341 0.09719 0.41167 0.10605 69 2PZ -0.11696 -0.03180 -0.20952 0.03333 -0.09784 70 3S -0.17861 -0.07432 0.06346 0.13344 0.08452 71 3PX -0.02993 -0.01449 0.12787 0.04961 0.09596 72 3PY -0.12844 -0.05036 0.06190 0.27481 0.06921 73 3PZ -0.07708 -0.02164 -0.13952 0.02383 -0.06025 74 4XX -0.00403 -0.00040 -0.00514 0.00060 -0.01004 75 4YY 0.01542 0.00641 -0.00349 -0.02028 -0.00698 76 4ZZ 0.00532 0.00242 0.00345 0.00181 0.00747 77 4XY 0.00010 -0.00003 -0.00861 -0.00813 -0.00210 78 4XZ 0.00067 0.00041 0.00243 -0.00199 0.00135 79 4YZ 0.00249 -0.00081 0.00771 -0.00315 0.00640 80 8 H 1S 0.10333 0.05197 0.00693 -0.00527 -0.04078 81 2S 0.09582 0.05555 0.01354 0.00959 -0.05589 82 9 H 1S 0.10332 0.05196 -0.00696 0.00528 -0.04079 83 2S 0.09582 0.05554 -0.01356 -0.00958 -0.05590 84 10 C 1S -0.00999 0.01764 -0.01083 0.00563 -0.00510 85 2S 0.02442 -0.04016 0.02196 -0.00836 0.01106 86 2PX 0.02175 -0.07891 0.05004 -0.02594 -0.06474 87 2PY 0.11436 -0.19123 0.00066 0.00047 -0.08213 88 2PZ 0.06209 -0.09336 0.01749 -0.01615 0.08544 89 3S 0.01834 -0.06648 0.07766 -0.05452 0.01055 90 3PX 0.00346 -0.03126 0.03148 -0.02535 -0.03996 91 3PY 0.03862 -0.05037 0.01266 -0.00305 -0.03213 92 3PZ 0.02361 -0.02974 0.01975 -0.01900 0.04539 93 4XX -0.00311 0.00315 0.00321 -0.00086 -0.00326 94 4YY 0.00326 -0.00571 -0.00484 0.00224 -0.00106 95 4ZZ -0.00360 0.00916 -0.00062 0.00079 0.00378 96 4XY -0.00093 0.00115 -0.00197 0.00123 -0.00182 97 4XZ -0.00264 0.00609 0.00204 -0.00113 0.00290 98 4YZ -0.00076 0.00278 0.00017 0.00078 0.00156 99 11 C 1S -0.00999 0.01764 0.01083 -0.00563 -0.00511 100 2S 0.02442 -0.04016 -0.02195 0.00836 0.01106 101 2PX 0.02173 -0.07886 -0.05002 0.02593 -0.06475 102 2PY -0.11437 0.19125 0.00073 0.00043 0.08213 103 2PZ 0.06210 -0.09331 -0.01744 0.01613 0.08544 104 3S 0.01835 -0.06651 -0.07764 0.05452 0.01058 105 3PX 0.00345 -0.03126 -0.03147 0.02535 -0.03995 106 3PY -0.03865 0.05037 0.01269 -0.00307 0.03212 107 3PZ 0.02361 -0.02974 -0.01972 0.01899 0.04541 108 4XX -0.00311 0.00315 -0.00321 0.00086 -0.00326 109 4YY 0.00326 -0.00571 0.00484 -0.00224 -0.00106 110 4ZZ -0.00360 0.00915 0.00062 -0.00079 0.00378 111 4XY 0.00093 -0.00115 -0.00197 0.00123 0.00182 112 4XZ -0.00264 0.00609 -0.00204 0.00113 0.00290 113 4YZ 0.00077 -0.00278 0.00017 0.00078 -0.00156 114 12 C 1S -0.00339 -0.00256 0.00623 -0.00443 -0.00778 115 2S 0.00582 0.00655 -0.01854 0.01276 0.01954 116 2PX -0.00252 0.01299 -0.05238 0.01323 -0.09596 117 2PY 0.01289 -0.05040 0.13676 -0.05872 -0.02132 118 2PZ 0.01551 0.03912 0.03081 -0.01262 0.06736 119 3S 0.01606 0.01083 0.01221 -0.01656 0.01464 120 3PX -0.00160 -0.01053 -0.05380 0.02956 -0.05666 121 3PY 0.00481 -0.00966 0.01683 -0.00962 -0.00985 122 3PZ 0.00693 -0.01470 0.01455 -0.00025 0.04227 123 4XX -0.00094 0.00035 -0.00514 0.00165 0.00137 124 4YY 0.00196 -0.00346 0.00662 -0.00265 -0.00410 125 4ZZ -0.00151 0.00076 -0.00026 -0.00010 -0.00218 126 4XY 0.00435 -0.00588 0.00128 -0.00025 0.00135 127 4XZ 0.00133 0.00137 -0.00401 0.00235 0.00624 128 4YZ 0.00223 -0.01022 -0.00122 0.00048 -0.00250 129 13 C 1S 0.00305 -0.02069 0.00249 -0.00130 -0.00272 130 2S -0.00755 0.04516 0.00035 0.00386 0.00792 131 2PX 0.08121 -0.04531 -0.15595 0.08163 0.08065 132 2PY 0.07395 -0.21889 0.01050 -0.00259 0.04210 133 2PZ 0.00720 -0.16430 0.09247 -0.04277 -0.06566 134 3S -0.00370 0.08486 -0.04622 -0.00035 -0.00103 135 3PX 0.03274 -0.01867 -0.06141 0.02250 0.03264 136 3PY 0.03468 -0.09032 0.04182 -0.01347 0.01866 137 3PZ 0.01608 -0.08315 0.06037 -0.02689 -0.02498 138 4XX 0.00435 -0.01049 -0.00122 0.00088 0.00329 139 4YY -0.00171 0.00682 0.00236 -0.00078 -0.00059 140 4ZZ -0.00110 -0.00219 0.00012 -0.00014 -0.00285 141 4XY 0.00073 -0.00053 -0.01121 0.00586 0.00004 142 4XZ 0.00447 0.00227 -0.00668 0.00433 0.00978 143 4YZ -0.00023 -0.00022 0.00379 -0.00186 -0.00002 144 14 C 1S 0.00306 -0.02068 -0.00248 0.00130 -0.00272 145 2S -0.00755 0.04515 -0.00037 -0.00386 0.00793 146 2PX 0.08124 -0.04524 0.15595 -0.08163 0.08059 147 2PY -0.07395 0.21893 0.01042 -0.00254 -0.04208 148 2PZ 0.00718 -0.16427 -0.09245 0.04277 -0.06563 149 3S -0.00372 0.08487 0.04619 0.00037 -0.00102 150 3PX 0.03277 -0.01865 0.06139 -0.02249 0.03262 151 3PY -0.03468 0.09034 0.04179 -0.01345 -0.01866 152 3PZ 0.01609 -0.08314 -0.06035 0.02688 -0.02493 153 4XX 0.00435 -0.01048 0.00123 -0.00089 0.00330 154 4YY -0.00171 0.00682 -0.00236 0.00079 -0.00059 155 4ZZ -0.00110 -0.00220 -0.00012 0.00015 -0.00286 156 4XY -0.00073 0.00052 -0.01121 0.00586 -0.00004 157 4XZ 0.00447 0.00227 0.00667 -0.00433 0.00977 158 4YZ 0.00023 0.00023 0.00379 -0.00186 0.00002 159 15 C 1S -0.00338 -0.00256 -0.00622 0.00442 -0.00778 160 2S 0.00581 0.00655 0.01853 -0.01276 0.01953 161 2PX -0.00249 0.01303 0.05233 -0.01321 -0.09596 162 2PY -0.01291 0.05038 0.13677 -0.05873 0.02133 163 2PZ 0.01548 0.03913 -0.03082 0.01262 0.06733 164 3S 0.01607 0.01080 -0.01224 0.01657 0.01466 165 3PX -0.00157 -0.01050 0.05377 -0.02955 -0.05667 166 3PY -0.00480 0.00966 0.01682 -0.00962 0.00987 167 3PZ 0.00694 -0.01470 -0.01456 0.00026 0.04226 168 4XX -0.00094 0.00035 0.00515 -0.00165 0.00137 169 4YY 0.00197 -0.00347 -0.00663 0.00265 -0.00410 170 4ZZ -0.00151 0.00077 0.00026 0.00010 -0.00218 171 4XY -0.00435 0.00588 0.00128 -0.00025 -0.00135 172 4XZ 0.00133 0.00138 0.00402 -0.00235 0.00624 173 4YZ -0.00222 0.01022 -0.00123 0.00048 0.00250 174 16 H 1S -0.06113 0.11469 -0.01200 0.01065 0.01679 175 2S -0.05780 0.11960 -0.00973 0.00875 0.01665 176 17 H 1S -0.06115 0.11467 0.01200 -0.01066 0.01681 177 2S -0.05781 0.11958 0.00973 -0.00875 0.01667 178 18 H 1S 0.01387 -0.03208 0.07863 -0.03236 -0.02009 179 2S 0.01011 -0.03590 0.08717 -0.02907 -0.02221 180 19 H 1S 0.06089 -0.08555 -0.08469 0.04661 0.05426 181 2S 0.04165 -0.08611 -0.09763 0.06870 0.05670 182 20 H 1S 0.06090 -0.08547 0.08476 -0.04664 0.05425 183 2S 0.04165 -0.08604 0.09770 -0.06874 0.05667 184 21 H 1S 0.01388 -0.03208 -0.07865 0.03237 -0.02009 185 2S 0.01013 -0.03590 -0.08719 0.02909 -0.02220 186 22 H 1S -0.02004 -0.07969 0.11101 -0.05666 -0.05825 187 2S -0.02532 -0.07531 0.09569 -0.05378 -0.06185 188 23 H 1S -0.02004 -0.07977 -0.11097 0.05664 -0.05819 189 2S -0.02532 -0.07538 -0.09566 0.05376 -0.06180 36 37 38 39 40 O O O O O Eigenvalues -- -0.32858 -0.31942 -0.31708 -0.28626 -0.19801 1 1 C 1S -0.00394 0.00531 -0.00346 -0.01309 -0.00047 2 2S 0.01437 -0.00844 0.00540 0.03296 0.00362 3 2PX -0.06828 0.04149 -0.04075 -0.03638 0.07519 4 2PY -0.02132 0.01536 -0.07047 -0.02276 -0.01356 5 2PZ 0.03287 -0.00483 0.01753 -0.00901 -0.10129 6 3S -0.03894 -0.03291 0.01008 0.03755 0.00183 7 3PX -0.06158 0.01580 -0.02908 -0.01481 0.08045 8 3PY -0.04199 0.00391 -0.02062 -0.01828 0.01799 9 3PZ 0.00484 -0.02485 0.01762 0.00808 -0.07054 10 4XX -0.01180 0.00671 -0.00324 -0.01368 -0.00966 11 4YY 0.00250 -0.00149 -0.00236 0.00225 0.00210 12 4ZZ 0.00724 -0.00410 0.00537 0.00947 0.00514 13 4XY 0.00318 -0.00175 -0.00108 0.00084 -0.00517 14 4XZ 0.00162 0.00018 0.00258 0.00409 0.00504 15 4YZ -0.00352 0.00072 0.00251 0.00145 0.00742 16 2 O 1S -0.00440 0.00153 0.00621 0.00387 0.00233 17 2S 0.00431 -0.00464 -0.01234 -0.00699 -0.00184 18 2PX -0.17415 0.06322 -0.06117 -0.10719 -0.07170 19 2PY -0.09840 0.05458 0.03244 0.00040 -0.00157 20 2PZ 0.24696 -0.11972 0.06063 0.16846 0.07444 21 3S 0.03610 0.00556 -0.02749 -0.02268 -0.02606 22 3PX -0.13312 0.04308 -0.04362 -0.07747 -0.06041 23 3PY -0.06162 0.03947 0.02183 -0.00023 -0.00652 24 3PZ 0.16746 -0.08423 0.04206 0.12559 0.06599 25 4XX 0.00451 -0.00313 0.00401 0.00662 -0.00115 26 4YY -0.00626 0.00197 0.00166 0.00057 0.00071 27 4ZZ -0.00321 0.00022 -0.00221 -0.00374 0.00435 28 4XY -0.00615 0.00148 -0.00085 -0.00285 -0.00244 29 4XZ -0.00110 0.00036 -0.00081 -0.00131 0.00043 30 4YZ 0.01005 -0.00528 0.00312 0.00633 0.00287 31 3 C 1S 0.00000 0.00000 -0.00483 -0.00071 0.00000 32 2S 0.00000 0.00001 0.01383 0.00372 0.00001 33 2PX 0.00000 0.00002 0.03289 0.07150 -0.00005 34 2PY 0.01507 0.00163 0.00000 0.00001 -0.00730 35 2PZ 0.00000 -0.00006 -0.08194 -0.11324 0.00002 36 3S 0.00000 0.00001 0.01435 0.00063 0.00002 37 3PX 0.00000 0.00000 0.00510 0.00276 -0.00001 38 3PY -0.01075 0.00629 0.00000 0.00000 -0.01242 39 3PZ 0.00001 -0.00002 -0.02067 -0.01324 -0.00004 40 4XX 0.00000 0.00001 0.00861 0.01578 -0.00001 41 4YY 0.00000 0.00000 0.00007 0.00385 0.00000 42 4ZZ 0.00000 0.00000 -0.00936 -0.02004 0.00001 43 4XY 0.00912 -0.00346 0.00000 0.00000 0.00582 44 4XZ 0.00000 0.00000 0.00054 -0.00058 0.00000 45 4YZ -0.01719 0.00728 0.00000 0.00000 -0.00599 46 4 C 1S 0.00393 -0.00532 -0.00345 -0.01309 0.00046 47 2S -0.01437 0.00844 0.00539 0.03296 -0.00360 48 2PX 0.06826 -0.04154 -0.04072 -0.03638 -0.07544 49 2PY -0.02131 0.01545 0.07045 0.02276 -0.01348 50 2PZ -0.03286 0.00484 0.01754 -0.00900 0.10148 51 3S 0.03894 0.03292 0.01008 0.03756 -0.00171 52 3PX 0.06157 -0.01583 -0.02907 -0.01483 -0.08060 53 3PY -0.04199 0.00393 0.02060 0.01828 0.01806 54 3PZ -0.00484 0.02487 0.01761 0.00808 0.07069 55 4XX 0.01180 -0.00671 -0.00323 -0.01368 0.00968 56 4YY -0.00250 0.00149 -0.00236 0.00225 -0.00211 57 4ZZ -0.00724 0.00411 0.00537 0.00947 -0.00515 58 4XY 0.00318 -0.00175 0.00108 -0.00084 -0.00516 59 4XZ -0.00161 -0.00017 0.00258 0.00409 -0.00505 60 4YZ -0.00352 0.00072 -0.00251 -0.00145 0.00740 61 5 H 1S 0.00000 -0.00004 -0.05915 -0.10844 0.00006 62 2S -0.00001 -0.00005 -0.07280 -0.14171 0.00011 63 6 H 1S 0.00000 0.00003 0.04716 0.08539 -0.00006 64 2S 0.00000 0.00004 0.05042 0.11070 -0.00010 65 7 O 1S 0.00440 -0.00152 0.00622 0.00387 -0.00232 66 2S -0.00431 0.00462 -0.01234 -0.00699 0.00183 67 2PX 0.17413 -0.06329 -0.06111 -0.10721 0.07195 68 2PY -0.09835 0.05451 -0.03249 -0.00043 -0.00159 69 2PZ -0.24695 0.11980 0.06052 0.16849 -0.07474 70 3S -0.03609 -0.00561 -0.02748 -0.02268 0.02597 71 3PX 0.13311 -0.04313 -0.04358 -0.07749 0.06062 72 3PY -0.06158 0.03942 -0.02186 0.00021 -0.00652 73 3PZ -0.16746 0.08429 0.04199 0.12561 -0.06623 74 4XX -0.00450 0.00313 0.00401 0.00662 0.00115 75 4YY 0.00626 -0.00197 0.00166 0.00057 -0.00071 76 4ZZ 0.00321 -0.00022 -0.00221 -0.00374 -0.00434 77 4XY -0.00615 0.00148 0.00085 0.00285 -0.00245 78 4XZ 0.00109 -0.00037 -0.00081 -0.00131 -0.00043 79 4YZ 0.01005 -0.00528 -0.00311 -0.00633 0.00288 80 8 H 1S -0.01308 0.01730 0.03246 0.04364 -0.06509 81 2S -0.00240 0.01917 0.03077 0.03396 -0.07002 82 9 H 1S 0.01308 -0.01726 0.03247 0.04364 0.06507 83 2S 0.00241 -0.01912 0.03077 0.03395 0.06996 84 10 C 1S 0.00476 -0.00272 0.00196 -0.01120 -0.00590 85 2S -0.00545 0.01588 -0.00792 0.02347 0.01965 86 2PX 0.04989 0.14857 -0.00097 -0.19344 -0.11975 87 2PY -0.00447 -0.01679 -0.21060 0.00891 -0.02878 88 2PZ 0.05528 0.12128 0.02494 0.20518 0.15121 89 3S -0.04963 -0.07020 0.00326 0.05550 -0.04889 90 3PX 0.00353 0.02662 0.00315 -0.12751 -0.12091 91 3PY -0.02035 -0.04059 -0.07790 -0.00527 -0.07359 92 3PZ 0.00506 0.00322 0.02231 0.13575 0.09147 93 4XX -0.00023 0.00152 0.00351 -0.00666 -0.01018 94 4YY 0.00207 0.00040 -0.00856 0.00363 0.00345 95 4ZZ -0.00243 -0.00732 0.00764 0.00066 0.00536 96 4XY -0.00501 -0.01190 0.00293 -0.00789 0.00667 97 4XZ -0.00311 -0.00451 0.00650 -0.00105 -0.00071 98 4YZ -0.00530 -0.00992 0.00311 0.00356 -0.01174 99 11 C 1S -0.00476 0.00273 0.00196 -0.01120 0.00590 100 2S 0.00545 -0.01589 -0.00790 0.02347 -0.01967 101 2PX -0.04992 -0.14856 -0.00079 -0.19343 0.11957 102 2PY -0.00449 -0.01654 0.21061 -0.00890 -0.02875 103 2PZ -0.05529 -0.12126 0.02507 0.20518 -0.15109 104 3S 0.04962 0.07021 0.00322 0.05553 0.04886 105 3PX -0.00355 -0.02662 0.00320 -0.12749 0.12075 106 3PY -0.02037 -0.04051 0.07794 0.00527 -0.07359 107 3PZ -0.00507 -0.00321 0.02233 0.13575 -0.09139 108 4XX 0.00022 -0.00152 0.00351 -0.00665 0.01019 109 4YY -0.00207 -0.00041 -0.00856 0.00362 -0.00345 110 4ZZ 0.00243 0.00732 0.00764 0.00066 -0.00537 111 4XY -0.00501 -0.01190 -0.00292 0.00789 0.00667 112 4XZ 0.00311 0.00451 0.00649 -0.00104 0.00071 113 4YZ -0.00530 -0.00993 -0.00311 -0.00356 -0.01174 114 12 C 1S -0.01043 0.00118 -0.00072 0.01248 -0.01316 115 2S 0.02696 0.00313 0.00765 -0.02322 0.02808 116 2PX 0.08862 0.10022 -0.06202 -0.12501 0.25643 117 2PY -0.05356 -0.02359 -0.18181 0.07743 -0.08082 118 2PZ 0.10175 0.23178 0.05568 0.04045 -0.16000 119 3S 0.02197 -0.05079 -0.02049 -0.06292 0.04144 120 3PX 0.04269 0.04286 -0.02755 -0.07268 0.19394 121 3PY -0.01134 0.02968 -0.04898 0.05954 -0.02274 122 3PZ 0.03863 0.09630 0.02298 0.03569 -0.14706 123 4XX -0.00065 -0.00141 0.00777 0.01108 -0.00722 124 4YY -0.00225 -0.00268 -0.02072 0.00379 -0.00184 125 4ZZ 0.00156 0.00579 0.00930 -0.01078 0.00812 126 4XY -0.00278 -0.00456 -0.00177 0.00378 -0.00203 127 4XZ 0.00614 -0.00381 0.00470 -0.00194 -0.00293 128 4YZ -0.00327 -0.00689 0.00267 -0.00447 0.00138 129 13 C 1S -0.01000 -0.00302 0.00649 0.00204 -0.00751 130 2S 0.02398 0.00983 -0.01911 -0.00732 0.00931 131 2PX 0.14175 -0.16972 0.00768 0.05503 -0.07888 132 2PY 0.01368 0.01054 0.27372 -0.09271 -0.01319 133 2PZ -0.17318 -0.18132 -0.03429 0.01722 0.03516 134 3S 0.05249 0.02785 -0.00793 -0.01555 0.09904 135 3PX 0.07491 -0.08644 0.00326 0.01733 -0.04011 136 3PY 0.01211 -0.00208 0.13290 -0.06111 -0.01253 137 3PZ -0.06069 -0.11416 -0.03278 -0.01015 0.01889 138 4XX -0.00131 -0.00940 0.00761 0.00246 -0.00619 139 4YY -0.00038 0.00083 -0.01219 0.00278 -0.00399 140 4ZZ -0.00065 0.00559 0.00678 -0.00717 0.00915 141 4XY 0.00981 -0.01125 0.00068 -0.00033 -0.00312 142 4XZ 0.00982 -0.00252 0.00308 0.00570 -0.01276 143 4YZ -0.01006 -0.01132 0.00382 -0.00204 0.00325 144 14 C 1S 0.00999 0.00302 0.00649 0.00204 0.00753 145 2S -0.02397 -0.00985 -0.01910 -0.00731 -0.00935 146 2PX -0.14176 0.16976 0.00742 0.05504 0.07889 147 2PY 0.01372 0.01021 -0.27372 0.09271 -0.01323 148 2PZ 0.17318 0.18128 -0.03449 0.01722 -0.03512 149 3S -0.05250 -0.02785 -0.00791 -0.01557 -0.09910 150 3PX -0.07492 0.08648 0.00314 0.01734 0.04012 151 3PY 0.01214 -0.00224 -0.13289 0.06110 -0.01255 152 3PZ 0.06069 0.11412 -0.03290 -0.01011 -0.01886 153 4XX 0.00129 0.00941 0.00760 0.00247 0.00621 154 4YY 0.00039 -0.00084 -0.01218 0.00278 0.00398 155 4ZZ 0.00066 -0.00559 0.00679 -0.00717 -0.00915 156 4XY 0.00981 -0.01125 -0.00066 0.00033 -0.00312 157 4XZ -0.00982 0.00251 0.00308 0.00570 0.01275 158 4YZ -0.01006 -0.01132 -0.00382 0.00204 0.00325 159 15 C 1S 0.01043 -0.00118 -0.00072 0.01248 0.01316 160 2S -0.02695 -0.00313 0.00765 -0.02321 -0.02810 161 2PX -0.08863 -0.10030 -0.06192 -0.12503 -0.25640 162 2PY -0.05356 -0.02336 0.18182 -0.07743 -0.08080 163 2PZ -0.10171 -0.23175 0.05594 0.04047 0.15997 164 3S -0.02194 0.05075 -0.02050 -0.06287 -0.04139 165 3PX -0.04269 -0.04289 -0.02753 -0.07270 -0.19393 166 3PY -0.01133 0.02975 0.04896 -0.05952 -0.02269 167 3PZ -0.03861 -0.09628 0.02308 0.03571 0.14702 168 4XX 0.00064 0.00142 0.00777 0.01107 0.00724 169 4YY 0.00226 0.00267 -0.02073 0.00379 0.00184 170 4ZZ -0.00156 -0.00578 0.00930 -0.01078 -0.00813 171 4XY -0.00278 -0.00455 0.00177 -0.00378 -0.00203 172 4XZ -0.00614 0.00381 0.00469 -0.00194 0.00293 173 4YZ -0.00326 -0.00689 -0.00267 0.00447 0.00138 174 16 H 1S -0.05628 -0.12068 0.06934 -0.02891 -0.02584 175 2S -0.06642 -0.15108 0.08118 -0.03231 -0.05061 176 17 H 1S 0.05628 0.12075 0.06924 -0.02891 0.02584 177 2S 0.06642 0.15116 0.08105 -0.03231 0.05062 178 18 H 1S -0.02691 -0.02568 -0.15224 0.03721 -0.02189 179 2S -0.04163 -0.03579 -0.16878 0.04308 -0.05195 180 19 H 1S 0.06147 -0.13917 0.06462 0.01832 -0.06720 181 2S 0.01781 -0.12493 0.06750 0.04701 -0.11832 182 20 H 1S -0.06154 0.13922 0.06442 0.01833 0.06723 183 2S -0.01786 0.12497 0.06730 0.04702 0.11835 184 21 H 1S 0.02694 0.02554 -0.15225 0.03722 0.02188 185 2S 0.04166 0.03563 -0.16880 0.04309 0.05192 186 22 H 1S -0.14062 -0.00333 0.03757 -0.04875 0.08658 187 2S -0.14962 0.00234 0.04290 -0.04231 0.10184 188 23 H 1S 0.14061 0.00342 0.03765 -0.04876 -0.08655 189 2S 0.14961 -0.00224 0.04298 -0.04234 -0.10177 41 42 43 44 45 O V V V V Eigenvalues -- -0.18560 -0.00699 0.01019 0.08379 0.11232 1 1 C 1S 0.01561 0.01169 0.05212 0.01389 -0.00961 2 2S -0.02636 -0.03790 -0.11163 -0.04163 0.00100 3 2PX 0.22005 0.15883 0.23721 0.01564 -0.06763 4 2PY 0.08634 0.03389 0.07430 0.03085 -0.05608 5 2PZ -0.17715 -0.09921 -0.20971 0.03482 -0.11981 6 3S -0.11583 0.00269 -0.27487 -0.14090 0.29373 7 3PX 0.14341 0.20324 0.31496 0.07921 -0.14871 8 3PY 0.07614 0.00790 0.23624 0.04993 -0.12635 9 3PZ -0.13610 -0.08008 -0.11702 0.10460 -0.27845 10 4XX -0.00839 0.00552 0.00421 0.00188 0.00358 11 4YY 0.00092 -0.00096 0.00407 -0.00079 -0.00558 12 4ZZ 0.01024 0.00183 0.00641 0.00347 -0.00129 13 4XY 0.01161 0.01368 -0.01145 0.00154 -0.00287 14 4XZ 0.00281 -0.01141 0.00576 -0.00155 0.00413 15 4YZ -0.01257 -0.01066 0.00816 0.00258 -0.01277 16 2 O 1S -0.00598 0.00573 -0.01756 0.01154 -0.00907 17 2S 0.00548 -0.00821 0.04328 -0.03192 0.00991 18 2PX -0.18585 -0.01622 -0.12506 0.01592 -0.06026 19 2PY -0.02667 -0.01482 0.01591 -0.01248 0.02723 20 2PZ 0.21714 0.08078 0.08192 0.00359 -0.00485 21 3S 0.06521 -0.07374 0.11196 -0.11290 0.12138 22 3PX -0.15622 -0.00527 -0.10862 0.03683 -0.07011 23 3PY -0.01190 -0.02619 0.00820 -0.07040 0.05138 24 3PZ 0.17797 0.09795 0.09522 0.04664 0.02233 25 4XX -0.00410 -0.00188 -0.01483 -0.00271 -0.00460 26 4YY -0.00348 0.00090 0.00163 -0.00299 -0.00382 27 4ZZ -0.00103 0.00593 0.00724 -0.00047 -0.00323 28 4XY -0.00705 0.00053 -0.00326 0.00059 0.00354 29 4XZ 0.00027 -0.00120 -0.00156 -0.01156 -0.00506 30 4YZ 0.00294 -0.00122 0.00246 -0.00326 -0.00296 31 3 C 1S 0.00839 -0.00001 0.00000 0.05871 0.04879 32 2S -0.02049 -0.00328 0.00000 -0.10857 -0.07177 33 2PX 0.07239 0.00106 0.00000 -0.05294 -0.05268 34 2PY 0.00000 0.00003 0.06577 0.00003 -0.00003 35 2PZ -0.02596 0.02195 -0.00001 -0.19215 -0.16881 36 3S -0.04373 0.02257 -0.00002 -0.80835 -0.80860 37 3PX 0.01174 0.01859 -0.00001 -0.17741 -0.14500 38 3PY -0.00001 0.00007 0.11935 0.00009 -0.00008 39 3PZ 0.05639 0.04090 -0.00002 -0.48221 -0.43517 40 4XX 0.01838 0.00011 0.00000 0.01076 0.00338 41 4YY 0.00230 0.00338 0.00000 0.00118 -0.00217 42 4ZZ -0.01983 -0.00331 0.00000 0.00491 0.00638 43 4XY 0.00000 0.00001 0.01363 0.00000 0.00000 44 4XZ 0.00046 0.00052 0.00000 -0.00823 -0.00557 45 4YZ 0.00000 0.00000 -0.00627 0.00000 0.00000 46 4 C 1S 0.01561 0.01163 -0.05213 0.01390 -0.00959 47 2S -0.02637 -0.03777 0.11168 -0.04165 0.00095 48 2PX 0.21995 0.15853 -0.23741 0.01569 -0.06758 49 2PY -0.08632 -0.03378 0.07431 -0.03086 0.05607 50 2PZ -0.17704 -0.09895 0.20983 0.03479 -0.11988 51 3S -0.11585 0.00296 0.27490 -0.14095 0.29366 52 3PX 0.14331 0.20287 -0.31523 0.07931 -0.14860 53 3PY -0.07610 -0.00763 0.23624 -0.04996 0.12631 54 3PZ -0.13602 -0.07995 0.11713 0.10463 -0.27850 55 4XX -0.00837 0.00551 -0.00422 0.00188 0.00358 56 4YY 0.00091 -0.00097 -0.00407 -0.00079 -0.00558 57 4ZZ 0.01023 0.00183 -0.00641 0.00347 -0.00128 58 4XY -0.01162 -0.01369 -0.01143 -0.00153 0.00287 59 4XZ 0.00280 -0.01142 -0.00574 -0.00155 0.00413 60 4YZ 0.01258 0.01067 0.00815 -0.00259 0.01277 61 5 H 1S -0.08858 -0.01615 0.00001 0.02914 0.04105 62 2S -0.16276 -0.08593 0.00006 0.84938 0.84398 63 6 H 1S 0.09038 0.00386 0.00000 0.03349 0.02901 64 2S 0.14833 0.00357 0.00000 0.46146 0.42987 65 7 O 1S -0.00599 0.00575 0.01755 0.01155 -0.00909 66 2S 0.00548 -0.00827 -0.04327 -0.03193 0.00994 67 2PX -0.18577 -0.01605 0.12508 0.01590 -0.06027 68 2PY 0.02662 0.01482 0.01590 0.01248 -0.02725 69 2PZ 0.21705 0.08066 -0.08201 0.00359 -0.00481 70 3S 0.06526 -0.07384 -0.11186 -0.11297 0.12158 71 3PX -0.15616 -0.00513 0.10862 0.03680 -0.07010 72 3PY 0.01185 0.02618 0.00818 0.07041 -0.05143 73 3PZ 0.17789 0.09782 -0.09533 0.04667 0.02240 74 4XX -0.00410 -0.00186 0.01483 -0.00271 -0.00461 75 4YY -0.00348 0.00090 -0.00163 -0.00300 -0.00383 76 4ZZ -0.00104 0.00592 -0.00725 -0.00047 -0.00323 77 4XY 0.00705 -0.00053 -0.00326 -0.00059 -0.00353 78 4XZ 0.00027 -0.00120 0.00156 -0.01156 -0.00506 79 4YZ -0.00293 0.00122 0.00246 0.00326 0.00296 80 8 H 1S 0.00981 -0.02419 -0.06322 0.00918 -0.03358 81 2S 0.04013 -0.06005 -0.35370 0.28073 -0.60415 82 9 H 1S 0.00988 -0.02410 0.06325 0.00918 -0.03361 83 2S 0.04021 -0.05963 0.35374 0.28064 -0.60426 84 10 C 1S -0.00195 0.00460 0.00662 0.02285 -0.02043 85 2S 0.00986 -0.00466 -0.01375 -0.05096 0.02312 86 2PX 0.15339 -0.12032 0.20348 0.03997 -0.07618 87 2PY 0.02327 -0.03531 0.00586 0.03602 -0.05709 88 2PZ -0.11245 0.10306 -0.15785 0.02654 -0.09758 89 3S 0.02455 -0.03350 0.00392 -0.24367 0.42050 90 3PX 0.12899 -0.17256 0.30039 0.08835 -0.15503 91 3PY 0.00705 -0.02143 0.06006 0.06202 -0.11728 92 3PZ -0.08398 0.14984 -0.17062 0.09418 -0.19305 93 4XX -0.00253 0.01610 0.00009 -0.00056 0.00122 94 4YY 0.00188 -0.00378 0.00175 -0.00387 -0.00097 95 4ZZ 0.00269 -0.00941 0.00077 0.00528 -0.00295 96 4XY 0.00497 -0.00830 -0.01074 0.00493 -0.00732 97 4XZ 0.00085 0.00539 0.00099 0.00230 -0.00122 98 4YZ -0.00559 0.01375 0.00903 0.00596 -0.00807 99 11 C 1S -0.00195 0.00460 -0.00663 0.02285 -0.02044 100 2S 0.00984 -0.00464 0.01376 -0.05095 0.02313 101 2PX 0.15355 -0.12053 -0.20335 0.03991 -0.07623 102 2PY -0.02331 0.03532 0.00584 -0.03603 0.05712 103 2PZ -0.11263 0.10322 0.15773 0.02659 -0.09752 104 3S 0.02464 -0.03353 -0.00387 -0.24359 0.42066 105 3PX 0.12917 -0.17287 -0.30019 0.08827 -0.15509 106 3PY -0.00715 0.02152 0.06006 -0.06203 0.11730 107 3PZ -0.08409 0.15000 0.17043 0.09429 -0.19295 108 4XX -0.00252 0.01610 -0.00012 -0.00056 0.00123 109 4YY 0.00188 -0.00378 -0.00175 -0.00387 -0.00098 110 4ZZ 0.00268 -0.00941 -0.00075 0.00528 -0.00295 111 4XY -0.00496 0.00829 -0.01075 -0.00494 0.00731 112 4XZ 0.00085 0.00539 -0.00099 0.00230 -0.00121 113 4YZ 0.00558 -0.01374 0.00905 -0.00596 0.00807 114 12 C 1S -0.00473 -0.02868 0.00882 0.02362 -0.04189 115 2S 0.02223 0.05165 -0.04384 -0.04894 0.06232 116 2PX -0.03691 0.29282 -0.00788 -0.00127 0.03384 117 2PY 0.00633 -0.09312 0.01683 -0.07482 0.08529 118 2PZ 0.02554 -0.18156 0.01179 0.00260 -0.01082 119 3S -0.04324 0.21357 0.08578 -0.26269 0.59800 120 3PX -0.01505 0.37271 -0.00151 0.00401 0.12821 121 3PY 0.03918 -0.10312 -0.02699 -0.16938 0.23973 122 3PZ 0.04465 -0.21537 0.03742 0.04879 0.06928 123 4XX -0.01126 0.00020 0.01993 -0.00062 -0.00327 124 4YY 0.00295 -0.00195 -0.00423 0.00824 -0.00910 125 4ZZ 0.00571 -0.00747 -0.01352 -0.00332 0.00293 126 4XY 0.00115 0.00500 -0.00005 0.00252 -0.00055 127 4XZ 0.00523 0.00384 -0.00879 -0.00656 -0.00084 128 4YZ 0.00006 -0.00467 0.00028 -0.00384 -0.00171 129 13 C 1S -0.01157 0.01411 0.01541 0.05243 0.00921 130 2S 0.02705 -0.02559 -0.03229 -0.07738 -0.00303 131 2PX -0.00743 0.01030 0.02049 -0.09419 -0.10188 132 2PY -0.00756 0.01787 -0.02728 -0.05154 -0.02532 133 2PZ -0.04300 0.02632 0.05412 -0.08098 0.00526 134 3S 0.03924 -0.12994 -0.14371 -0.73834 -0.26478 135 3PX -0.01337 0.01227 0.05387 -0.18145 -0.21144 136 3PY -0.00261 -0.01359 -0.04796 -0.19722 -0.15842 137 3PZ -0.03372 0.01991 0.04196 -0.16110 0.07278 138 4XX -0.00183 -0.00649 0.00244 0.01073 0.00045 139 4YY 0.00255 -0.00565 -0.00081 -0.00369 -0.00067 140 4ZZ -0.00267 0.01495 -0.00076 0.00228 -0.00187 141 4XY 0.00040 0.00587 0.00101 0.00322 0.00055 142 4XZ 0.00392 -0.01388 -0.00243 0.00026 0.00083 143 4YZ -0.00099 0.00202 0.00226 0.00681 -0.00837 144 14 C 1S -0.01156 0.01410 -0.01543 0.05242 0.00921 145 2S 0.02704 -0.02557 0.03233 -0.07738 -0.00303 146 2PX -0.00735 0.01028 -0.02052 -0.09420 -0.10191 147 2PY 0.00756 -0.01793 -0.02724 0.05153 0.02529 148 2PZ -0.04304 0.02624 -0.05414 -0.08094 0.00530 149 3S 0.03908 -0.12988 0.14387 -0.73823 -0.26479 150 3PX -0.01334 0.01219 -0.05390 -0.18145 -0.21143 151 3PY 0.00260 0.01346 -0.04797 0.19717 0.15830 152 3PZ -0.03374 0.01979 -0.04197 -0.16087 0.07302 153 4XX -0.00182 -0.00651 -0.00243 0.01073 0.00045 154 4YY 0.00255 -0.00565 0.00082 -0.00369 -0.00067 155 4ZZ -0.00268 0.01496 0.00074 0.00227 -0.00187 156 4XY -0.00040 -0.00587 0.00102 -0.00322 -0.00055 157 4XZ 0.00394 -0.01387 0.00245 0.00026 0.00083 158 4YZ 0.00100 -0.00202 0.00226 -0.00682 0.00837 159 15 C 1S -0.00471 -0.02868 -0.00878 0.02362 -0.04188 160 2S 0.02219 0.05170 0.04379 -0.04895 0.06230 161 2PX -0.03721 0.29285 0.00754 -0.00131 0.03376 162 2PY -0.00643 0.09313 0.01672 0.07479 -0.08531 163 2PZ 0.02574 -0.18159 -0.01157 0.00264 -0.01081 164 3S -0.04328 0.21338 -0.08600 -0.26256 0.59803 165 3PX -0.01531 0.37271 0.00102 0.00394 0.12807 166 3PY -0.03920 0.10307 -0.02712 0.16936 -0.23973 167 3PZ 0.04482 -0.21544 -0.03715 0.04885 0.06927 168 4XX -0.01125 0.00017 -0.01993 -0.00063 -0.00327 169 4YY 0.00295 -0.00194 0.00423 0.00824 -0.00911 170 4ZZ 0.00570 -0.00745 0.01353 -0.00331 0.00293 171 4XY -0.00115 -0.00501 -0.00004 -0.00251 0.00055 172 4XZ 0.00524 0.00385 0.00879 -0.00656 -0.00084 173 4YZ -0.00006 0.00467 0.00027 0.00384 0.00171 174 16 H 1S -0.00342 0.02131 0.01090 0.02993 -0.02732 175 2S -0.00400 0.06251 0.06745 0.37819 -0.61036 176 17 H 1S -0.00339 0.02130 -0.01093 0.02993 -0.02732 177 2S -0.00394 0.06244 -0.06757 0.37818 -0.61039 178 18 H 1S 0.01302 -0.01335 -0.01335 0.02888 -0.02884 179 2S 0.00686 -0.05556 -0.01293 0.42893 -0.62079 180 19 H 1S 0.00218 -0.02834 0.00552 0.03639 0.00738 181 2S 0.02543 -0.04312 0.00654 0.67013 0.35020 182 20 H 1S 0.00227 -0.02837 -0.00547 0.03639 0.00740 183 2S 0.02561 -0.04313 -0.00645 0.66992 0.35020 184 21 H 1S 0.01304 -0.01334 0.01335 0.02888 -0.02885 185 2S 0.00692 -0.05553 0.01293 0.42886 -0.62077 186 22 H 1S -0.01960 0.06087 0.01280 0.01248 -0.01631 187 2S -0.04984 0.20041 0.09812 0.34462 -0.17665 188 23 H 1S -0.01970 0.06087 -0.01288 0.01246 -0.01634 189 2S -0.04995 0.20034 -0.09842 0.34456 -0.17680 46 47 48 49 50 V V V V V Eigenvalues -- 0.11913 0.12247 0.12316 0.13517 0.14424 1 1 C 1S 0.04795 -0.00479 0.00442 0.02435 0.04020 2 2S -0.10826 0.00040 -0.02734 -0.02953 -0.08332 3 2PX 0.06039 -0.25231 0.06412 0.06632 -0.11908 4 2PY 0.09225 0.04988 0.00960 0.09771 0.05144 5 2PZ -0.10924 0.05748 0.07975 0.17975 -0.10591 6 3S -0.37780 0.13571 -0.07434 -0.54007 -0.46680 7 3PX 0.18576 -0.44148 0.14972 0.22739 -0.28795 8 3PY 0.15635 0.23160 0.04301 0.24364 0.21889 9 3PZ 0.02090 0.07155 0.19133 0.38933 -0.20636 10 4XX 0.00753 -0.00247 -0.00619 0.00002 0.00834 11 4YY -0.00150 -0.00781 -0.00047 0.00529 -0.01141 12 4ZZ 0.00678 0.00150 0.00663 0.00097 0.00472 13 4XY 0.00013 0.01187 0.00427 0.01083 -0.01372 14 4XZ 0.00122 0.00904 -0.00763 0.00082 0.01365 15 4YZ 0.00252 -0.00006 0.01331 0.01507 -0.01041 16 2 O 1S -0.04230 -0.06527 0.01884 0.00217 -0.04984 17 2S 0.06951 0.08825 -0.03304 -0.01869 0.07547 18 2PX 0.00178 0.09490 0.07681 0.07939 -0.09372 19 2PY 0.07144 0.08540 -0.04961 0.00007 0.07173 20 2PZ 0.07570 0.04200 0.01096 0.03753 -0.10706 21 3S 0.44681 0.81303 -0.23976 -0.00218 0.59811 22 3PX 0.05123 0.13255 0.12512 0.14089 -0.12567 23 3PY 0.13424 0.21632 -0.10701 -0.02039 0.15247 24 3PZ 0.13525 0.06385 0.01425 0.05124 -0.19970 25 4XX -0.02420 -0.02278 0.00585 -0.00588 -0.02160 26 4YY -0.00312 -0.01306 0.00005 -0.00295 -0.01109 27 4ZZ -0.01341 -0.03603 0.00589 -0.00764 -0.01768 28 4XY 0.00078 -0.00038 -0.00394 -0.00725 -0.00875 29 4XZ -0.00908 -0.00784 -0.00536 -0.00310 -0.00242 30 4YZ 0.00293 0.00180 0.00258 -0.00064 0.00283 31 3 C 1S 0.00003 0.00002 0.00923 0.05793 0.06459 32 2S -0.00001 -0.00016 -0.04201 -0.09731 -0.09101 33 2PX 0.00005 -0.00035 -0.09027 -0.07811 -0.24186 34 2PY 0.22821 0.34648 -0.00130 0.00001 -0.00001 35 2PZ -0.00003 0.00020 0.03439 0.03544 0.13725 36 3S -0.00043 -0.00014 -0.08882 -0.79181 -0.99101 37 3PX 0.00023 -0.00136 -0.33436 -0.13282 -0.61817 38 3PY 0.62489 0.88994 -0.00328 0.00000 -0.00003 39 3PZ -0.00007 0.00045 0.07125 0.07099 0.31589 40 4XX 0.00000 0.00002 0.00475 0.00394 0.01355 41 4YY 0.00000 0.00000 0.00130 0.00812 -0.00621 42 4ZZ 0.00001 -0.00001 -0.00352 0.00275 0.00523 43 4XY 0.01713 0.01392 -0.00004 0.00000 0.00000 44 4XZ 0.00001 -0.00002 -0.00444 0.00494 0.00598 45 4YZ 0.01048 0.02309 -0.00009 0.00000 0.00000 46 4 C 1S -0.04794 0.00481 0.00428 0.02437 0.04022 47 2S 0.10827 -0.00061 -0.02711 -0.02955 -0.08337 48 2PX -0.06057 0.25289 0.06182 0.06638 -0.11901 49 2PY 0.09220 0.04985 -0.00988 -0.09777 -0.05143 50 2PZ 0.10911 -0.05681 0.08043 0.17973 -0.10594 51 3S 0.37761 -0.13606 -0.07233 -0.54042 -0.46709 52 3PX -0.18617 0.44281 0.14551 0.22754 -0.28776 53 3PY 0.15629 0.23136 -0.04476 -0.24367 -0.21882 54 3PZ -0.02124 -0.06992 0.19182 0.38939 -0.20633 55 4XX -0.00752 0.00241 -0.00623 0.00003 0.00835 56 4YY 0.00149 0.00781 -0.00053 0.00530 -0.01141 57 4ZZ -0.00679 -0.00145 0.00663 0.00097 0.00473 58 4XY 0.00014 0.01183 -0.00437 -0.01083 0.01372 59 4XZ -0.00119 -0.00911 -0.00755 0.00081 0.01366 60 4YZ 0.00255 -0.00017 -0.01330 -0.01507 0.01041 61 5 H 1S 0.00003 -0.00007 -0.01376 0.00902 0.02088 62 2S 0.00046 -0.00081 -0.15921 0.24446 -0.09559 63 6 H 1S 0.00001 0.00005 0.01444 0.00763 0.07892 64 2S -0.00009 0.00177 0.46081 0.59982 1.41911 65 7 O 1S 0.04224 0.06544 0.01835 0.00218 -0.04983 66 2S -0.06941 -0.08854 -0.03241 -0.01869 0.07547 67 2PX -0.00198 -0.09421 0.07763 0.07938 -0.09374 68 2PY 0.07131 0.08583 0.04900 -0.00008 -0.07172 69 2PZ -0.07573 -0.04186 0.01120 0.03753 -0.10707 70 3S -0.44603 -0.81518 -0.23352 -0.00225 0.59803 71 3PX -0.05153 -0.13146 0.12616 0.14089 -0.12566 72 3PY 0.13397 0.21725 0.10538 0.02039 -0.15242 73 3PZ -0.13529 -0.06363 0.01458 0.05125 -0.19973 74 4XX 0.02418 0.02284 0.00570 -0.00588 -0.02160 75 4YY 0.00311 0.01306 -0.00006 -0.00294 -0.01109 76 4ZZ 0.01338 0.03608 0.00560 -0.00764 -0.01767 77 4XY 0.00078 -0.00035 0.00395 0.00725 0.00874 78 4XZ 0.00909 0.00779 -0.00541 -0.00309 -0.00242 79 4YZ 0.00294 0.00177 -0.00259 0.00064 -0.00283 80 8 H 1S -0.04689 -0.03214 0.03828 0.05617 -0.00896 81 2S -0.41336 -0.11652 0.35417 0.94737 0.08390 82 9 H 1S 0.04683 0.03246 0.03809 0.05617 -0.00897 83 2S 0.41293 0.11925 0.35405 0.94711 0.08367 84 10 C 1S -0.01468 0.01328 -0.03552 -0.01152 0.01726 85 2S 0.02923 -0.03685 0.05315 0.02270 -0.04594 86 2PX -0.20623 0.06436 -0.03865 -0.04249 -0.01089 87 2PY 0.01538 -0.01240 -0.04976 -0.01766 0.02897 88 2PZ 0.17845 -0.06632 -0.10278 0.00493 0.07773 89 3S 0.08367 -0.07414 0.54977 0.13740 -0.28582 90 3PX -0.36928 0.17301 -0.09708 -0.06049 0.04050 91 3PY -0.00917 0.03507 -0.19858 -0.03519 0.12841 92 3PZ 0.25904 -0.09550 -0.21144 -0.02212 0.10547 93 4XX 0.00911 -0.00567 -0.00668 -0.00170 0.00608 94 4YY -0.00705 0.00493 0.00451 0.00139 -0.00422 95 4ZZ -0.00669 0.00217 -0.00544 -0.00081 -0.00409 96 4XY 0.00975 -0.00313 -0.00602 -0.00814 0.00192 97 4XZ 0.00165 -0.00403 -0.00389 -0.00212 -0.00251 98 4YZ -0.00496 0.00063 -0.00978 0.00140 0.00319 99 11 C 1S 0.01474 -0.01359 -0.03538 -0.01151 0.01725 100 2S -0.02934 0.03732 0.05279 0.02269 -0.04593 101 2PX 0.20625 -0.06467 -0.03770 -0.04253 -0.01097 102 2PY 0.01530 -0.01195 0.04995 0.01762 -0.02898 103 2PZ -0.17827 0.06540 -0.10368 0.00503 0.07779 104 3S -0.08451 0.07899 0.54896 0.13713 -0.28578 105 3PX 0.36939 -0.17384 -0.09490 -0.06048 0.04030 106 3PY -0.00950 0.03683 0.19838 0.03516 -0.12838 107 3PZ -0.25872 0.09365 -0.21277 -0.02185 0.10556 108 4XX -0.00909 0.00561 -0.00674 -0.00169 0.00609 109 4YY 0.00703 -0.00489 0.00456 0.00139 -0.00422 110 4ZZ 0.00669 -0.00222 -0.00541 -0.00081 -0.00410 111 4XY 0.00974 -0.00308 0.00607 0.00813 -0.00192 112 4XZ -0.00164 0.00399 -0.00393 -0.00211 -0.00252 113 4YZ -0.00498 0.00072 0.00977 -0.00140 -0.00318 114 12 C 1S 0.01241 -0.01041 0.00410 -0.00801 -0.01006 115 2S -0.02185 0.01815 -0.01712 0.02439 0.01470 116 2PX -0.20661 0.13138 -0.04533 0.02646 0.03322 117 2PY 0.06480 -0.07483 0.06419 0.02516 -0.00246 118 2PZ 0.09826 -0.06763 -0.02081 -0.02585 0.01728 119 3S -0.13111 0.09174 -0.00566 0.04198 0.14333 120 3PX -0.26559 0.25661 -0.07971 0.11191 -0.05441 121 3PY 0.13962 -0.21289 0.13890 0.09381 0.01962 122 3PZ 0.14775 -0.00938 0.04899 -0.18968 -0.00190 123 4XX -0.00752 0.00134 0.00519 -0.00037 -0.00387 124 4YY -0.00256 0.00269 -0.00866 -0.00709 0.00507 125 4ZZ 0.01374 -0.00790 0.00162 0.00656 -0.00245 126 4XY -0.00785 0.00711 -0.01061 0.00574 -0.00282 127 4XZ -0.00242 0.00428 0.00485 0.00070 0.00048 128 4YZ 0.00725 -0.00382 -0.00072 -0.00433 0.00346 129 13 C 1S 0.00823 0.02089 0.01863 -0.03955 -0.00565 130 2S -0.00741 -0.00502 -0.01714 0.04340 0.00174 131 2PX -0.04542 -0.02589 0.11935 -0.11347 0.09431 132 2PY 0.05816 -0.05307 -0.02556 0.06760 0.01919 133 2PZ -0.02592 -0.01234 -0.14049 0.08816 0.01757 134 3S -0.13039 -0.44896 -0.39923 0.70594 0.14616 135 3PX -0.14960 -0.08411 0.34190 -0.30789 0.28080 136 3PY 0.15461 -0.10126 -0.13649 0.19189 0.03920 137 3PZ -0.04654 0.01096 -0.36406 0.20457 0.03944 138 4XX 0.00359 0.00007 0.00593 -0.00341 -0.00483 139 4YY 0.00718 -0.00134 0.00096 -0.00205 -0.00170 140 4ZZ -0.00924 0.00874 -0.00223 -0.00287 0.00399 141 4XY -0.00507 0.00117 -0.01140 0.00253 -0.00577 142 4XZ 0.00817 -0.00747 -0.01276 -0.00043 0.00028 143 4YZ -0.00192 0.00065 0.00398 -0.00403 -0.00053 144 14 C 1S -0.00827 -0.02073 0.01879 -0.03953 -0.00565 145 2S 0.00746 0.00486 -0.01718 0.04339 0.00173 146 2PX 0.04514 0.02697 0.11913 -0.11346 0.09430 147 2PY 0.05812 -0.05285 0.02621 -0.06771 -0.01920 148 2PZ 0.02617 0.01111 -0.14057 0.08818 0.01754 149 3S 0.13111 0.44546 -0.40273 0.70578 0.14626 150 3PX 0.14884 0.08715 0.34113 -0.30782 0.28075 151 3PY 0.15441 -0.10006 0.13791 -0.19212 -0.03921 152 3PZ 0.04728 -0.01420 -0.36403 0.20476 0.03926 153 4XX -0.00361 -0.00001 0.00592 -0.00341 -0.00483 154 4YY -0.00718 0.00134 0.00093 -0.00205 -0.00170 155 4ZZ 0.00924 -0.00877 -0.00214 -0.00287 0.00398 156 4XY -0.00509 0.00127 0.01138 -0.00253 0.00577 157 4XZ -0.00815 0.00735 -0.01284 -0.00043 0.00029 158 4YZ -0.00191 0.00062 -0.00399 0.00403 0.00053 159 15 C 1S -0.01242 0.01044 0.00399 -0.00802 -0.01006 160 2S 0.02189 -0.01829 -0.01691 0.02438 0.01471 161 2PX 0.20671 -0.13178 -0.04382 0.02638 0.03312 162 2PY 0.06488 -0.07538 -0.06336 -0.02529 0.00243 163 2PZ -0.09822 0.06744 -0.02156 -0.02582 0.01734 164 3S 0.13125 -0.09174 -0.00480 0.04236 0.14321 165 3PX 0.26580 -0.25730 -0.07700 0.11182 -0.05458 166 3PY 0.13979 -0.21408 -0.13677 -0.09406 -0.01970 167 3PZ -0.14780 0.00979 0.04861 -0.18960 -0.00185 168 4XX 0.00750 -0.00129 0.00522 -0.00037 -0.00388 169 4YY 0.00258 -0.00277 -0.00863 -0.00710 0.00507 170 4ZZ -0.01373 0.00791 0.00152 0.00657 -0.00244 171 4XY -0.00787 0.00721 0.01053 -0.00574 0.00282 172 4XZ 0.00241 -0.00424 0.00488 0.00070 0.00048 173 4YZ 0.00725 -0.00381 0.00077 0.00432 -0.00346 174 16 H 1S -0.01551 -0.00661 -0.05051 -0.02521 0.00285 175 2S -0.04185 0.04407 -0.71019 -0.19465 0.35533 176 17 H 1S 0.01559 0.00617 -0.05055 -0.02521 0.00283 177 2S 0.04292 -0.05030 -0.70985 -0.19427 0.35527 178 18 H 1S -0.01966 0.01709 -0.02661 -0.02467 0.01511 179 2S -0.09641 0.19841 -0.19916 -0.22067 -0.05303 180 19 H 1S 0.02406 -0.01423 -0.03243 0.00355 -0.02960 181 2S 0.18922 0.24111 -0.18627 -0.04942 -0.45206 182 20 H 1S -0.02402 0.01395 -0.03258 0.00355 -0.02959 183 2S -0.18876 -0.24276 -0.18439 -0.04942 -0.45199 184 21 H 1S 0.01970 -0.01732 -0.02642 -0.02469 0.01510 185 2S 0.09663 -0.20020 -0.19709 -0.22121 -0.05306 186 22 H 1S -0.04446 0.03888 0.06325 -0.02405 0.01626 187 2S -0.19437 0.21322 0.88151 -0.81909 0.17498 188 23 H 1S 0.04433 -0.03832 0.06366 -0.02407 0.01623 189 2S 0.19255 -0.20547 0.88362 -0.81926 0.17485 51 52 53 54 55 V V V V V Eigenvalues -- 0.14526 0.16394 0.17144 0.17765 0.19270 1 1 C 1S -0.03254 -0.05606 -0.00411 0.01466 0.06493 2 2S 0.03710 0.09082 0.01993 -0.01501 -0.09275 3 2PX 0.05902 0.06276 0.05492 0.02288 -0.02880 4 2PY -0.01604 -0.12470 -0.02487 -0.03174 0.01153 5 2PZ -0.13296 0.01296 0.08416 0.07702 0.20248 6 3S 0.64247 0.90726 -0.10960 -0.25881 -1.08653 7 3PX -0.00648 0.24257 0.12472 0.14353 0.17584 8 3PY 0.04392 -0.44253 0.09528 0.02056 0.01107 9 3PZ -0.45769 0.03541 0.16420 0.30119 0.68649 10 4XX -0.00607 -0.00893 -0.00391 0.00026 0.00874 11 4YY -0.00410 0.00892 -0.00009 0.01066 0.01365 12 4ZZ 0.00078 -0.00113 0.00303 -0.00264 -0.00179 13 4XY -0.00230 0.00448 0.00853 -0.00278 0.00029 14 4XZ -0.00458 -0.01416 -0.00530 0.00129 0.00699 15 4YZ 0.00612 0.01154 0.00978 -0.00383 -0.01065 16 2 O 1S -0.00160 0.05755 -0.00666 0.01644 0.01099 17 2S -0.00091 -0.07982 0.00192 -0.00468 -0.00176 18 2PX -0.01523 0.12681 0.05152 -0.04746 -0.02948 19 2PY -0.03312 -0.10929 0.03791 -0.04563 0.01498 20 2PZ 0.05334 0.05958 0.08771 -0.00973 -0.07355 21 3S 0.05084 -0.76973 0.12912 -0.29211 -0.22684 22 3PX -0.04420 0.28571 0.07354 -0.02559 0.00308 23 3PY -0.00797 -0.23064 0.10396 -0.08183 -0.04555 24 3PZ 0.07018 0.10990 0.13189 -0.04118 -0.11098 25 4XX -0.00041 0.01876 0.00122 0.01400 0.00845 26 4YY -0.00369 0.01340 -0.00496 0.00846 0.00865 27 4ZZ 0.00378 0.02486 -0.00495 0.00872 -0.00013 28 4XY -0.00258 0.00366 -0.00285 0.00136 0.00432 29 4XZ 0.00418 -0.00495 0.00568 0.00708 -0.00279 30 4YZ 0.00053 0.00850 -0.00258 0.00567 0.00325 31 3 C 1S -0.00002 -0.01527 0.03925 -0.00001 -0.00003 32 2S 0.00003 0.02414 -0.06069 0.00002 0.00005 33 2PX 0.00002 -0.32140 0.16687 -0.00005 -0.00005 34 2PY 0.00270 0.00002 -0.00002 -0.14840 -0.09948 35 2PZ -0.00001 0.03836 -0.04019 0.00002 -0.00001 36 3S 0.00024 -0.02684 -0.49149 0.00017 0.00043 37 3PX 0.00003 -0.87052 0.49208 -0.00019 -0.00019 38 3PY 0.00464 0.00006 -0.00004 -0.27944 -0.20322 39 3PZ -0.00002 0.03015 -0.04324 0.00006 -0.00007 40 4XX 0.00000 0.00021 -0.00486 0.00000 0.00000 41 4YY 0.00000 0.00357 0.01187 0.00000 -0.00001 42 4ZZ 0.00000 -0.00503 -0.00247 0.00000 0.00000 43 4XY -0.00082 0.00000 0.00000 -0.01056 -0.00500 44 4XZ 0.00000 -0.01428 0.00539 0.00000 -0.00001 45 4YZ -0.00493 0.00000 0.00000 -0.00687 0.00108 46 4 C 1S 0.03254 -0.05606 -0.00411 -0.01466 -0.06491 47 2S -0.03711 0.09084 0.01994 0.01500 0.09271 48 2PX -0.05907 0.06273 0.05490 -0.02287 0.02878 49 2PY -0.01606 0.12471 0.02484 -0.03174 0.01152 50 2PZ 0.13288 0.01305 0.08417 -0.07704 -0.20252 51 3S -0.64240 0.90716 -0.10957 0.25885 1.08633 52 3PX 0.00632 0.24253 0.12467 -0.14354 -0.17593 53 3PY 0.04387 0.44259 -0.09534 0.02066 0.01114 54 3PZ 0.45755 0.03560 0.16419 -0.30120 -0.68657 55 4XX 0.00607 -0.00893 -0.00391 -0.00026 -0.00873 56 4YY 0.00410 0.00892 -0.00009 -0.01066 -0.01365 57 4ZZ -0.00078 -0.00113 0.00303 0.00264 0.00178 58 4XY -0.00229 -0.00448 -0.00853 -0.00277 0.00030 59 4XZ 0.00459 -0.01416 -0.00531 -0.00129 -0.00699 60 4YZ 0.00613 -0.01154 -0.00978 -0.00384 -0.01064 61 5 H 1S 0.00000 -0.02509 -0.00110 -0.00001 0.00000 62 2S -0.00007 -0.41255 0.49971 -0.00024 -0.00023 63 6 H 1S 0.00000 0.01457 -0.03335 0.00001 0.00002 64 2S -0.00017 1.06610 -0.40322 0.00016 0.00001 65 7 O 1S 0.00159 0.05756 -0.00666 -0.01644 -0.01098 66 2S 0.00092 -0.07983 0.00193 0.00468 0.00175 67 2PX 0.01517 0.12681 0.05154 0.04746 0.02941 68 2PY -0.03311 0.10929 -0.03793 -0.04561 0.01506 69 2PZ -0.05339 0.05958 0.08770 0.00969 0.07347 70 3S -0.05077 -0.76985 0.12919 0.29199 0.22666 71 3PX 0.04408 0.28571 0.07356 0.02560 -0.00321 72 3PY -0.00795 0.23065 -0.10402 -0.08176 -0.04539 73 3PZ -0.07025 0.10991 0.13187 0.04111 0.11082 74 4XX 0.00041 0.01877 0.00121 -0.01400 -0.00845 75 4YY 0.00369 0.01341 -0.00496 -0.00846 -0.00864 76 4ZZ -0.00378 0.02486 -0.00496 -0.00871 0.00014 77 4XY -0.00258 -0.00366 0.00285 0.00136 0.00432 78 4XZ -0.00418 -0.00495 0.00568 -0.00708 0.00278 79 4YZ 0.00054 -0.00851 0.00259 0.00567 0.00325 80 8 H 1S -0.00142 -0.00535 0.04189 0.00119 -0.01946 81 2S 0.65960 -0.66001 0.32099 -0.36221 -1.14809 82 9 H 1S 0.00139 -0.00534 0.04189 -0.00119 0.01944 83 2S -0.65987 -0.66009 0.32096 0.36216 1.14816 84 10 C 1S -0.02425 0.01341 0.03540 0.04226 -0.05794 85 2S 0.03790 0.03153 -0.03291 -0.06382 0.07418 86 2PX -0.06625 0.07769 0.04042 -0.02960 -0.07377 87 2PY -0.06667 0.04460 0.08608 -0.01235 -0.06307 88 2PZ -0.06128 0.00047 0.03381 0.05977 -0.06876 89 3S 0.58894 -0.40560 -0.73677 -0.58843 0.87170 90 3PX -0.25316 0.05585 0.05156 0.06338 -0.24378 91 3PY 0.06280 0.14059 0.35773 0.05288 -0.20154 92 3PZ -0.23344 0.02448 0.02644 0.27870 -0.43095 93 4XX -0.00007 -0.00263 -0.00019 -0.00112 -0.00857 94 4YY 0.00806 0.00632 -0.00049 0.01160 -0.00477 95 4ZZ -0.00483 0.00783 0.00683 -0.00001 -0.00218 96 4XY 0.00076 0.00554 0.00138 0.00028 0.00198 97 4XZ 0.00005 0.00677 0.00325 -0.00108 -0.00453 98 4YZ 0.00102 -0.00218 -0.00822 -0.00325 0.00261 99 11 C 1S 0.02424 0.01342 0.03540 -0.04226 0.05795 100 2S -0.03790 0.03153 -0.03290 0.06380 -0.07421 101 2PX 0.06622 0.07773 0.04044 0.02960 0.07377 102 2PY -0.06666 -0.04462 -0.08610 -0.01233 -0.06310 103 2PZ 0.06123 0.00044 0.03380 -0.05978 0.06878 104 3S -0.58869 -0.40584 -0.73680 0.58855 -0.87175 105 3PX 0.25315 0.05588 0.05154 -0.06337 0.24381 106 3PY 0.06282 -0.14055 -0.35770 0.05297 -0.20171 107 3PZ 0.23339 0.02438 0.02637 -0.27864 0.43101 108 4XX 0.00007 -0.00263 -0.00019 0.00112 0.00857 109 4YY -0.00806 0.00632 -0.00049 -0.01160 0.00477 110 4ZZ 0.00483 0.00783 0.00684 0.00000 0.00218 111 4XY 0.00075 -0.00554 -0.00138 0.00028 0.00198 112 4XZ -0.00005 0.00677 0.00325 0.00108 0.00454 113 4YZ 0.00102 0.00217 0.00822 -0.00325 0.00261 114 12 C 1S 0.04504 -0.01273 -0.08276 0.00568 -0.01578 115 2S -0.06345 0.01532 0.09998 -0.03025 0.05214 116 2PX -0.07405 -0.05081 -0.02173 0.03494 0.00215 117 2PY -0.20027 0.00292 0.07367 -0.05771 -0.07587 118 2PZ 0.04236 0.03333 0.10838 0.03262 -0.03257 119 3S -0.86614 0.25128 1.44148 0.00760 -0.00376 120 3PX -0.12927 -0.09754 -0.09351 0.07811 -0.09257 121 3PY -0.60181 -0.06307 0.25369 -0.33140 -0.02686 122 3PZ 0.00887 0.04848 0.22296 0.36970 -0.04448 123 4XX 0.00488 0.00115 -0.00527 -0.00106 -0.00506 124 4YY 0.00187 0.00041 -0.00066 -0.00267 0.01113 125 4ZZ 0.00171 -0.00448 -0.01047 0.00257 -0.00737 126 4XY 0.00121 0.00341 -0.00076 0.00455 -0.00474 127 4XZ -0.00652 -0.00018 -0.00084 0.00032 -0.00377 128 4YZ -0.00442 0.00439 0.00510 0.01351 -0.00337 129 13 C 1S 0.00353 -0.00214 0.03764 0.11464 -0.00881 130 2S 0.02170 -0.01214 -0.03723 -0.09203 -0.00022 131 2PX -0.03250 -0.01434 0.09149 -0.00514 0.01488 132 2PY -0.07350 0.00883 -0.04077 0.04691 -0.09719 133 2PZ -0.05413 0.08230 0.06545 -0.10603 0.01340 134 3S -0.25095 0.12611 -0.62808 -2.23036 0.21046 135 3PX -0.11652 0.05133 0.31202 0.07391 0.16641 136 3PY 0.05572 0.03158 -0.28535 0.46152 -0.31944 137 3PZ -0.09330 0.16450 0.27480 -0.21917 -0.05669 138 4XX 0.00716 0.00076 -0.00269 0.00209 0.00103 139 4YY -0.00723 -0.00271 -0.00299 0.01886 -0.00931 140 4ZZ 0.00476 -0.00095 0.01230 0.00190 0.00650 141 4XY -0.00052 -0.00303 -0.01179 0.00046 0.00074 142 4XZ 0.00385 -0.00085 0.00567 -0.00039 0.00394 143 4YZ 0.00037 -0.00453 -0.01440 -0.00166 0.00248 144 14 C 1S -0.00351 -0.00213 0.03760 -0.11465 0.00883 145 2S -0.02171 -0.01217 -0.03721 0.09204 0.00019 146 2PX 0.03258 -0.01432 0.09150 0.00511 -0.01487 147 2PY -0.07348 -0.00882 0.04081 0.04686 -0.09715 148 2PZ 0.05401 0.08229 0.06548 0.10606 -0.01342 149 3S 0.25063 0.12599 -0.62730 2.23066 -0.21080 150 3PX 0.11670 0.05135 0.31208 -0.07406 -0.16636 151 3PY 0.05580 -0.03144 0.28560 0.46136 -0.31932 152 3PZ 0.09307 0.16437 0.27481 0.21922 0.05663 153 4XX -0.00716 0.00076 -0.00269 -0.00209 -0.00103 154 4YY 0.00723 -0.00271 -0.00300 -0.01886 0.00931 155 4ZZ -0.00476 -0.00095 0.01230 -0.00191 -0.00650 156 4XY -0.00052 0.00303 0.01179 0.00046 0.00074 157 4XZ -0.00385 -0.00085 0.00568 0.00039 -0.00394 158 4YZ 0.00037 0.00452 0.01439 -0.00167 0.00249 159 15 C 1S -0.04502 -0.01274 -0.08277 -0.00567 0.01577 160 2S 0.06343 0.01536 0.10001 0.03023 -0.05212 161 2PX 0.07401 -0.05073 -0.02172 -0.03491 -0.00217 162 2PY -0.20028 -0.00295 -0.07371 -0.05768 -0.07591 163 2PZ -0.04241 0.03330 0.10836 -0.03268 0.03257 164 3S 0.86596 0.25146 1.44160 -0.00798 0.00397 165 3PX 0.12912 -0.09737 -0.09350 -0.07813 0.09262 166 3PY -0.60183 0.06283 -0.25390 -0.33130 -0.02704 167 3PZ -0.00892 0.04848 0.22283 -0.36990 0.04459 168 4XX -0.00487 0.00114 -0.00528 0.00107 0.00506 169 4YY -0.00187 0.00042 -0.00065 0.00267 -0.01113 170 4ZZ -0.00171 -0.00449 -0.01047 -0.00256 0.00737 171 4XY 0.00122 -0.00341 0.00076 0.00455 -0.00474 172 4XZ 0.00652 -0.00018 -0.00084 -0.00032 0.00377 173 4YZ -0.00442 -0.00439 -0.00510 0.01351 -0.00338 174 16 H 1S -0.00645 0.03753 0.01574 0.00140 -0.04622 175 2S -0.59147 0.33125 0.60685 0.47285 -1.01045 176 17 H 1S 0.00643 0.03754 0.01574 -0.00140 0.04622 177 2S 0.59122 0.33130 0.60684 -0.47290 1.01066 178 18 H 1S 0.02118 0.00172 -0.02368 -0.01787 0.04065 179 2S 1.13261 -0.02808 -0.85857 0.32462 0.14181 180 19 H 1S 0.02072 -0.01305 -0.03991 0.00289 0.00958 181 2S 0.26002 -0.16328 -0.16953 0.67482 0.00798 182 20 H 1S -0.02073 -0.01305 -0.03989 -0.00288 -0.00956 183 2S -0.25998 -0.16312 -0.16968 -0.67473 -0.00783 184 21 H 1S -0.02117 0.00172 -0.02367 0.01788 -0.04066 185 2S -1.13254 -0.02842 -0.85880 -0.32446 -0.14204 186 22 H 1S -0.00950 -0.00345 -0.00524 0.00689 0.01236 187 2S 0.07311 -0.20813 0.31223 0.87859 0.19387 188 23 H 1S 0.00952 -0.00343 -0.00525 -0.00688 -0.01237 189 2S -0.07263 -0.20793 0.31196 -0.87882 -0.19370 56 57 58 59 60 V V V V V Eigenvalues -- 0.19777 0.20300 0.22889 0.23612 0.24272 1 1 C 1S 0.04177 0.03036 -0.00030 0.00393 -0.01075 2 2S -0.08465 -0.07264 -0.02232 -0.00829 0.01291 3 2PX -0.05172 -0.00310 -0.02247 -0.02250 -0.00381 4 2PY 0.12666 0.03612 0.00701 0.02655 -0.02181 5 2PZ -0.00530 0.08505 -0.00850 -0.03456 -0.02697 6 3S -0.53898 -0.21750 0.07217 0.01603 0.18138 7 3PX -0.08829 0.10866 0.04748 0.00882 -0.02841 8 3PY 0.20064 0.38263 -0.05279 0.08070 -0.06336 9 3PZ -0.03352 0.37431 0.00278 -0.06914 -0.00080 10 4XX 0.00132 0.00559 -0.00472 0.00671 -0.00384 11 4YY 0.00335 0.00683 0.00172 -0.00170 0.00112 12 4ZZ 0.00172 -0.00097 0.00022 -0.00121 0.00003 13 4XY -0.01155 0.00105 -0.00284 0.00374 0.00424 14 4XZ -0.00065 0.00173 -0.00251 0.00326 0.00117 15 4YZ -0.01108 -0.00489 -0.00438 0.00103 -0.00162 16 2 O 1S 0.03753 0.00428 0.01617 -0.00886 0.00529 17 2S -0.03956 0.00497 -0.01839 0.01049 -0.01021 18 2PX -0.15562 -0.01285 -0.08246 0.02239 -0.00970 19 2PY -0.22884 0.01111 -0.09685 0.05048 -0.03011 20 2PZ -0.14123 -0.05267 0.06619 -0.01947 0.02173 21 3S -0.57419 -0.12511 -0.25916 0.10898 -0.07873 22 3PX -0.29282 -0.01047 -0.10256 0.00074 -0.01004 23 3PY -0.49004 -0.05510 -0.16627 0.03416 -0.03145 24 3PZ -0.27048 -0.08384 0.09306 0.00128 0.04718 25 4XX 0.01433 0.00335 0.00695 -0.01039 0.00304 26 4YY 0.01413 0.00250 0.01073 -0.00270 0.00063 27 4ZZ 0.01613 0.00484 -0.00058 -0.00183 -0.00039 28 4XY 0.00569 0.00008 0.00763 -0.00085 0.00252 29 4XZ -0.01377 -0.00552 -0.00621 -0.00775 -0.00280 30 4YZ 0.00570 -0.00204 0.00121 -0.00676 -0.00216 31 3 C 1S -0.13287 0.00005 0.00658 0.00003 0.01037 32 2S 0.21013 -0.00008 0.02146 -0.00011 -0.03317 33 2PX -0.15658 0.00007 -0.02948 0.00014 0.03800 34 2PY 0.00007 0.00208 0.00011 0.12175 -0.00022 35 2PZ -0.15353 0.00003 -0.33515 0.00006 -0.14493 36 3S 1.81189 -0.00072 -0.42561 -0.00012 -0.21405 37 3PX -0.64699 0.00031 0.08746 0.00018 0.07369 38 3PY 0.00014 -0.15172 0.00014 0.09343 -0.00006 39 3PZ -0.60751 0.00014 -0.96028 0.00027 -0.35307 40 4XX 0.01719 -0.00001 -0.00420 -0.00001 -0.00520 41 4YY -0.03106 0.00001 -0.00884 0.00000 -0.00538 42 4ZZ 0.00854 0.00000 0.02074 -0.00001 0.00607 43 4XY 0.00001 0.00318 0.00001 0.01285 -0.00002 44 4XZ -0.02413 0.00001 -0.00910 0.00000 -0.00454 45 4YZ 0.00000 0.00101 0.00000 0.00586 -0.00001 46 4 C 1S 0.04178 -0.03038 -0.00031 -0.00397 -0.01075 47 2S -0.08462 0.07268 -0.02231 0.00836 0.01289 48 2PX -0.05171 0.00312 -0.02242 0.02254 -0.00391 49 2PY -0.12662 0.03620 -0.00698 0.02664 0.02170 50 2PZ -0.00529 -0.08505 -0.00848 0.03448 -0.02709 51 3S -0.53932 0.21778 0.07226 -0.01535 0.18160 52 3PX -0.08825 -0.10862 0.04749 -0.00903 -0.02849 53 3PY -0.20035 0.38281 0.05296 0.08089 0.06295 54 3PZ -0.03353 -0.37424 0.00283 0.06914 -0.00110 55 4XX 0.00132 -0.00559 -0.00473 -0.00671 -0.00381 56 4YY 0.00335 -0.00683 0.00172 0.00170 0.00111 57 4ZZ 0.00173 0.00096 0.00023 0.00121 0.00002 58 4XY 0.01155 0.00104 0.00284 0.00372 -0.00426 59 4XZ -0.00065 -0.00172 -0.00252 -0.00325 0.00118 60 4YZ 0.01108 -0.00490 0.00438 0.00103 0.00162 61 5 H 1S 0.02872 0.00000 0.11738 -0.00003 0.04448 62 2S -0.41072 0.00028 1.47323 -0.00018 0.62704 63 6 H 1S 0.05445 -0.00002 -0.02905 0.00000 -0.01541 64 2S -0.30244 0.00004 -0.22060 -0.00011 -0.13186 65 7 O 1S 0.03754 -0.00431 0.01618 0.00884 0.00526 66 2S -0.03957 -0.00493 -0.01842 -0.01049 -0.01017 67 2PX -0.15564 0.01293 -0.08247 -0.02224 -0.00962 68 2PY 0.22890 0.01092 0.09689 0.05033 0.02993 69 2PZ -0.14117 0.05276 0.06624 0.01944 0.02164 70 3S -0.57432 0.12562 -0.25933 -0.10870 -0.07835 71 3PX -0.29284 0.01063 -0.10253 -0.00054 -0.01008 72 3PY 0.49012 -0.05550 0.16629 0.03386 0.03134 73 3PZ -0.27037 0.08401 0.09310 -0.00123 0.04713 74 4XX 0.01434 -0.00336 0.00696 0.01039 0.00301 75 4YY 0.01413 -0.00251 0.01073 0.00269 0.00062 76 4ZZ 0.01612 -0.00485 -0.00057 0.00183 -0.00040 77 4XY -0.00568 0.00008 -0.00763 -0.00085 -0.00251 78 4XZ -0.01376 0.00553 -0.00621 0.00775 -0.00283 79 4YZ -0.00571 -0.00204 -0.00122 -0.00675 0.00219 80 8 H 1S -0.03844 -0.01575 -0.00971 -0.00109 0.00208 81 2S 0.39784 -0.72278 -0.02310 0.03191 -0.19440 82 9 H 1S -0.03843 0.01578 -0.00971 0.00110 0.00208 83 2S 0.39785 0.72255 -0.02303 -0.03267 -0.19423 84 10 C 1S 0.00902 0.05859 -0.01517 -0.01032 0.00708 85 2S -0.03625 -0.13600 0.05892 0.00286 0.00099 86 2PX -0.01190 0.02095 -0.00001 -0.04953 0.06879 87 2PY 0.01277 0.01848 -0.02987 0.05812 0.09794 88 2PZ 0.02817 0.07635 0.02507 0.02026 0.09178 89 3S -0.05667 -0.42274 0.21138 0.49106 -0.42342 90 3PX 0.04430 0.39521 -0.03050 -0.02988 0.24400 91 3PY 0.08900 0.33951 -0.20718 0.27374 0.33811 92 3PZ 0.06056 0.60400 -0.09392 0.10302 0.42497 93 4XX 0.00059 -0.00135 0.00295 0.00344 -0.00451 94 4YY -0.00387 0.01273 0.00463 -0.00660 0.01302 95 4ZZ 0.00042 -0.00281 -0.00172 0.00599 -0.00901 96 4XY -0.00419 -0.00326 0.00701 0.00144 -0.00905 97 4XZ -0.00138 -0.00016 0.00315 0.00586 -0.01242 98 4YZ -0.00224 -0.00691 0.00326 -0.00123 0.00233 99 11 C 1S 0.00895 -0.05859 -0.01514 0.01036 0.00705 100 2S -0.03612 0.13603 0.05889 -0.00298 0.00099 101 2PX -0.01193 -0.02096 0.00010 0.04982 0.06857 102 2PY -0.01272 0.01852 0.02994 0.05777 -0.09815 103 2PZ 0.02809 -0.07636 0.02509 -0.01999 0.09172 104 3S -0.05598 0.42280 0.21048 -0.49246 -0.42173 105 3PX 0.04396 -0.39523 -0.03029 0.03089 0.24365 106 3PY -0.08865 0.33978 0.20747 0.27244 -0.33899 107 3PZ 0.05997 -0.60406 -0.09377 -0.10129 0.42496 108 4XX 0.00059 0.00135 0.00295 -0.00346 -0.00450 109 4YY -0.00388 -0.01272 0.00464 0.00662 0.01300 110 4ZZ 0.00042 0.00280 -0.00173 -0.00602 -0.00899 111 4XY 0.00419 -0.00326 -0.00700 0.00148 0.00905 112 4XZ -0.00138 0.00016 0.00313 -0.00591 -0.01241 113 4YZ 0.00224 -0.00691 -0.00326 -0.00123 -0.00232 114 12 C 1S -0.03044 0.05350 0.01362 0.01875 0.04416 115 2S 0.04311 -0.08636 -0.01752 -0.04385 -0.05050 116 2PX 0.01099 -0.00094 0.00262 -0.02473 -0.03680 117 2PY 0.05149 -0.10988 -0.09756 0.00696 0.18661 118 2PZ 0.01420 -0.00156 0.07717 -0.00994 -0.19011 119 3S 0.45728 -0.53135 -0.24713 -0.23581 -0.78748 120 3PX 0.11778 -0.07117 0.00419 -0.38243 -0.21672 121 3PY 0.24740 -0.72540 -0.46875 -0.09003 0.92183 122 3PZ 0.08119 0.08535 0.25187 -0.03589 -0.83997 123 4XX -0.00320 -0.00112 0.00295 0.00542 0.00220 124 4YY -0.00205 0.00461 -0.00280 -0.00545 -0.00022 125 4ZZ -0.00167 0.00894 0.00262 0.00162 0.00442 126 4XY 0.00206 0.00611 -0.00356 -0.01081 -0.00140 127 4XZ -0.00275 0.00724 0.00846 0.01199 0.00159 128 4YZ -0.00097 0.00099 0.00728 0.00210 -0.00510 129 13 C 1S 0.01301 -0.06055 -0.03012 -0.01385 -0.06151 130 2S -0.02076 0.09496 0.05545 0.02947 0.05134 131 2PX -0.03118 -0.01280 0.10596 0.29928 0.01809 132 2PY -0.00828 0.00090 0.06483 0.01540 0.07087 133 2PZ 0.03356 0.03290 0.07414 -0.13105 -0.09914 134 3S -0.24235 0.66927 0.47301 0.12302 1.28505 135 3PX -0.06003 0.05730 0.48530 1.18826 -0.09124 136 3PY -0.14198 0.13807 0.19293 0.13342 0.33056 137 3PZ 0.06362 0.24739 0.33310 -0.49920 -0.81760 138 4XX 0.00236 -0.00183 -0.01521 0.00180 0.01029 139 4YY -0.00335 -0.01049 0.00251 -0.00078 0.00189 140 4ZZ 0.00078 -0.00519 0.00889 -0.00326 -0.02398 141 4XY -0.00133 0.00160 -0.01773 0.00762 -0.00054 142 4XZ 0.00080 -0.00284 -0.00776 -0.00146 -0.01388 143 4YZ -0.00610 0.00323 -0.00291 -0.00409 0.01218 144 14 C 1S 0.01305 0.06055 -0.03013 0.01371 -0.06152 145 2S -0.02083 -0.09494 0.05544 -0.02942 0.05139 146 2PX -0.03123 0.01284 0.10549 -0.29934 0.01906 147 2PY 0.00833 0.00091 -0.06473 0.01522 -0.07109 148 2PZ 0.03355 -0.03292 0.07427 0.13073 -0.09951 149 3S -0.24285 -0.66918 0.47341 -0.11973 1.28495 150 3PX -0.06022 -0.05724 0.48347 -1.18932 -0.08754 151 3PY 0.14225 0.13803 -0.19238 0.13247 -0.33163 152 3PZ 0.06348 -0.24731 0.33366 0.49631 -0.81891 153 4XX 0.00236 0.00183 -0.01522 -0.00173 0.01027 154 4YY -0.00335 0.01049 0.00250 0.00078 0.00191 155 4ZZ 0.00079 0.00520 0.00890 0.00316 -0.02399 156 4XY 0.00133 0.00160 0.01774 0.00759 0.00052 157 4XZ 0.00081 0.00284 -0.00775 0.00143 -0.01389 158 4YZ 0.00610 0.00323 0.00290 -0.00412 -0.01216 159 15 C 1S -0.03049 -0.05348 0.01359 -0.01860 0.04421 160 2S 0.04320 0.08633 -0.01744 0.04370 -0.05062 161 2PX 0.01100 0.00091 0.00265 0.02466 -0.03688 162 2PY -0.05153 -0.10981 0.09755 0.00624 -0.18656 163 2PZ 0.01418 0.00155 0.07725 0.00923 -0.19019 164 3S 0.45769 0.53108 -0.24678 0.23311 -0.78825 165 3PX 0.11775 0.07096 0.00484 0.38185 -0.21806 166 3PY -0.24790 -0.72506 0.46853 -0.09376 -0.92124 167 3PZ 0.08102 -0.08546 0.25202 0.03283 -0.84014 168 4XX -0.00320 0.00112 0.00294 -0.00542 0.00222 169 4YY -0.00205 -0.00461 -0.00279 0.00545 -0.00024 170 4ZZ -0.00168 -0.00894 0.00262 -0.00160 0.00443 171 4XY -0.00206 0.00611 0.00354 -0.01081 0.00143 172 4XZ -0.00276 -0.00723 0.00844 -0.01200 0.00164 173 4YZ 0.00098 0.00099 -0.00728 0.00212 0.00508 174 16 H 1S -0.00956 0.01868 0.01231 0.02147 -0.03809 175 2S 0.17313 1.03834 -0.22818 0.06228 0.72441 176 17 H 1S -0.00960 -0.01867 0.01228 -0.02160 -0.03802 177 2S 0.17197 -1.03855 -0.22785 -0.05950 0.72416 178 18 H 1S -0.01806 0.06790 0.00168 -0.02134 -0.00962 179 2S -0.47551 1.09021 0.63487 0.17015 -0.74456 180 19 H 1S -0.00009 -0.02510 -0.12094 -0.03208 0.02497 181 2S 0.16787 -0.45043 -1.03066 -1.22588 -0.28890 182 20 H 1S -0.00004 0.02508 -0.12088 0.03237 0.02481 183 2S 0.16855 0.45018 -1.02872 1.22674 -0.29334 184 21 H 1S -0.01808 -0.06788 0.00174 0.02128 -0.00972 185 2S -0.47619 -1.08971 0.63464 -0.17330 -0.74400 186 22 H 1S -0.00473 -0.01118 0.03961 0.02678 0.06587 187 2S -0.02506 -0.52553 -0.10298 1.20395 0.08164 188 23 H 1S -0.00472 0.01119 0.03955 -0.02665 0.06595 189 2S -0.02473 0.52561 -0.10506 -1.20351 0.08526 61 62 63 64 65 V V V V V Eigenvalues -- 0.24911 0.30439 0.31363 0.32662 0.37013 1 1 C 1S -0.00707 -0.00782 -0.00107 -0.02273 0.11316 2 2S -0.00514 0.00677 -0.00359 -0.00745 -0.12508 3 2PX -0.02774 0.03854 -0.00301 -0.12825 -0.15942 4 2PY 0.04317 -0.00895 0.00522 0.24083 -0.14948 5 2PZ 0.00625 -0.05662 0.01933 -0.08466 -0.22711 6 3S 0.28480 0.09034 -0.02086 1.25395 -2.60202 7 3PX -0.05065 0.02079 -0.03803 -0.70803 -1.07761 8 3PY 0.29446 -0.17660 0.02090 1.79283 -1.76999 9 3PZ 0.02141 -0.08869 -0.02229 -0.29473 -0.98310 10 4XX 0.00158 0.00079 -0.00318 0.00393 -0.00537 11 4YY -0.00600 -0.00273 0.00030 -0.02512 0.02342 12 4ZZ 0.00244 -0.00104 0.00005 0.00402 -0.01367 13 4XY 0.00177 0.00144 0.00387 0.00482 -0.00227 14 4XZ 0.00086 -0.00204 0.00058 0.01351 0.01115 15 4YZ 0.00089 0.00266 -0.00372 -0.00093 0.00424 16 2 O 1S -0.00214 0.00066 -0.00131 -0.01839 -0.04211 17 2S 0.00236 -0.01330 -0.02278 0.05335 0.03818 18 2PX 0.01728 0.03933 0.03680 -0.18589 -0.17936 19 2PY 0.00801 0.02600 0.03323 -0.08117 0.01777 20 2PZ -0.03257 0.00827 -0.01285 -0.15780 -0.16683 21 3S 0.00745 0.01957 0.09574 0.17061 0.92181 22 3PX -0.01097 0.04494 0.00248 -0.44731 -0.39737 23 3PY -0.01784 0.03114 0.03091 -0.21309 0.29191 24 3PZ -0.04119 0.04894 -0.00682 -0.41045 -0.27634 25 4XX -0.00245 -0.00765 -0.00359 0.00469 -0.02430 26 4YY -0.00397 -0.00386 -0.00885 -0.00901 0.00077 27 4ZZ 0.00188 0.00046 -0.01008 0.00491 -0.01832 28 4XY -0.00587 0.00003 0.00149 -0.02044 0.02166 29 4XZ -0.00772 -0.00505 -0.00142 0.00122 0.01204 30 4YZ -0.00538 -0.00457 -0.00267 -0.01789 0.01720 31 3 C 1S 0.00001 0.00001 0.00678 0.00000 0.00000 32 2S -0.00003 -0.00003 -0.02252 0.00001 -0.00002 33 2PX 0.00005 -0.00001 -0.00888 0.00000 0.00002 34 2PY 0.09127 0.07179 -0.00008 -0.03525 -0.31611 35 2PZ 0.00000 0.00001 0.02875 -0.00001 -0.00002 36 3S -0.00004 -0.00011 -0.05187 -0.00001 0.00004 37 3PX 0.00008 0.00008 0.03586 -0.00001 -0.00001 38 3PY -0.07853 0.09357 -0.00013 -0.95931 0.10075 39 3PZ 0.00001 0.00002 0.05968 -0.00011 0.00003 40 4XX 0.00000 0.00000 -0.00469 0.00000 0.00000 41 4YY 0.00000 0.00000 0.00334 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00191 0.00000 0.00000 43 4XY 0.00726 0.00631 -0.00001 -0.00644 -0.01097 44 4XZ 0.00000 0.00000 0.00287 0.00000 0.00000 45 4YZ 0.00156 0.00332 -0.00001 -0.00987 -0.01510 46 4 C 1S 0.00707 0.00782 -0.00109 0.02272 -0.11316 47 2S 0.00513 -0.00679 -0.00358 0.00748 0.12507 48 2PX 0.02775 -0.03857 -0.00294 0.12825 0.15942 49 2PY 0.04320 -0.00895 -0.00519 0.24083 -0.14950 50 2PZ -0.00628 0.05665 0.01927 0.08473 0.22706 51 3S -0.28476 -0.09037 -0.02075 -1.25394 2.60205 52 3PX 0.05063 -0.02085 -0.03788 0.70807 1.07756 53 3PY 0.29445 -0.17666 -0.02058 1.79278 -1.77021 54 3PZ -0.02140 0.08861 -0.02238 0.29514 0.98269 55 4XX -0.00157 -0.00080 -0.00318 -0.00393 0.00537 56 4YY 0.00600 0.00272 0.00030 0.02512 -0.02342 57 4ZZ -0.00244 0.00104 0.00005 -0.00402 0.01367 58 4XY 0.00176 0.00144 -0.00388 0.00482 -0.00227 59 4XZ -0.00086 0.00203 0.00058 -0.01351 -0.01115 60 4YZ 0.00090 0.00266 0.00371 -0.00093 0.00423 61 5 H 1S 0.00000 0.00002 0.00723 0.00000 -0.00001 62 2S 0.00003 0.00003 -0.06127 0.00002 -0.00004 63 6 H 1S 0.00000 -0.00002 -0.01420 0.00000 0.00000 64 2S -0.00007 0.00002 0.04274 0.00000 -0.00001 65 7 O 1S 0.00214 -0.00067 -0.00131 0.01840 0.04211 66 2S -0.00236 0.01326 -0.02282 -0.05335 -0.03818 67 2PX -0.01727 -0.03927 0.03690 0.18589 0.17937 68 2PY 0.00797 0.02594 -0.03329 -0.08118 0.01773 69 2PZ 0.03256 -0.00829 -0.01283 0.15780 0.16682 70 3S -0.00736 -0.01940 0.09576 -0.17066 -0.92177 71 3PX 0.01098 -0.04494 0.00261 0.44733 0.39736 72 3PY -0.01792 0.03109 -0.03097 -0.21315 0.29186 73 3PZ 0.04119 -0.04893 -0.00670 0.41042 0.27639 74 4XX 0.00244 0.00765 -0.00360 -0.00468 0.02430 75 4YY 0.00397 0.00385 -0.00886 0.00902 -0.00078 76 4ZZ -0.00188 -0.00048 -0.01008 -0.00492 0.01833 77 4XY -0.00587 0.00003 -0.00149 -0.02044 0.02167 78 4XZ 0.00771 0.00505 -0.00143 -0.00122 -0.01204 79 4YZ -0.00537 -0.00456 0.00267 -0.01789 0.01720 80 8 H 1S -0.00774 0.01323 -0.01279 -0.02443 -0.06637 81 2S -0.09428 0.28189 0.02651 -0.34195 0.96141 82 9 H 1S 0.00773 -0.01324 -0.01277 0.02444 0.06639 83 2S 0.09415 -0.28181 0.02689 0.34196 -0.96150 84 10 C 1S 0.00770 0.04913 -0.06119 -0.00226 0.00128 85 2S -0.01975 -0.05117 0.03529 -0.00790 -0.02212 86 2PX -0.06485 -0.02931 0.10793 -0.06932 -0.02060 87 2PY -0.01794 -0.19980 -0.04474 0.03378 0.03085 88 2PZ -0.15611 0.04049 0.10433 0.05971 -0.00493 89 3S -0.14007 -1.39625 1.97823 -0.08240 0.13811 90 3PX -0.36008 0.00207 0.90310 -0.13324 -0.04292 91 3PY -0.17680 -1.37890 -0.73115 -0.09859 0.22946 92 3PZ -0.57664 0.29873 0.78970 -0.00013 0.03204 93 4XX -0.00610 -0.00239 -0.01764 0.01091 0.00253 94 4YY 0.00104 0.02470 0.00740 -0.01043 -0.00338 95 4ZZ 0.00482 -0.01758 -0.00115 -0.00623 -0.00019 96 4XY 0.00240 -0.00351 0.02270 0.00382 -0.00020 97 4XZ -0.00234 -0.01441 -0.01143 -0.00795 -0.00113 98 4YZ 0.00641 0.00073 0.02428 -0.00019 0.00158 99 11 C 1S -0.00768 -0.04923 -0.06112 0.00227 -0.00127 100 2S 0.01973 0.05124 0.03523 0.00790 0.02213 101 2PX 0.06482 0.02945 0.10792 0.06932 0.02059 102 2PY -0.01806 -0.19973 0.04502 0.03377 0.03084 103 2PZ 0.15616 -0.04034 0.10445 -0.05971 0.00494 104 3S 0.13940 1.39910 1.97658 0.08213 -0.13833 105 3PX 0.35999 -0.00096 0.90354 0.13314 0.04289 106 3PY -0.17732 -1.37781 0.73302 -0.09873 0.22936 107 3PZ 0.57678 -0.29777 0.79059 0.00002 -0.03208 108 4XX 0.00610 0.00236 -0.01765 -0.01091 -0.00253 109 4YY -0.00103 -0.02469 0.00745 0.01043 0.00338 110 4ZZ -0.00483 0.01758 -0.00118 0.00623 0.00019 111 4XY 0.00241 -0.00355 -0.02268 0.00382 -0.00019 112 4XZ 0.00233 0.01439 -0.01146 0.00795 0.00113 113 4YZ 0.00641 0.00069 -0.02428 -0.00019 0.00158 114 12 C 1S 0.00503 -0.05454 0.04997 -0.01183 -0.00112 115 2S 0.01908 0.06378 -0.05075 0.01458 -0.03163 116 2PX 0.03119 -0.03920 0.16621 -0.08600 -0.01372 117 2PY -0.04676 -0.04797 0.13033 0.02967 0.00220 118 2PZ -0.03018 0.15542 0.17495 0.02968 0.00022 119 3S -0.41628 1.37333 -1.44344 0.20231 0.12335 120 3PX 0.26604 -0.06150 1.07020 0.07205 0.13152 121 3PY -0.13571 -0.13805 0.85989 0.07395 -0.14657 122 3PZ 0.13918 0.67867 1.01315 0.10925 0.14430 123 4XX 0.00287 -0.00927 0.01016 0.00493 0.00618 124 4YY -0.00720 0.02212 -0.00265 -0.00404 -0.00162 125 4ZZ 0.00576 -0.01851 -0.00221 -0.00470 -0.00847 126 4XY 0.01179 0.01094 0.01299 0.00593 -0.00777 127 4XZ 0.00619 -0.01088 0.00237 0.00062 0.00587 128 4YZ 0.01996 0.01502 0.01317 -0.00466 0.00688 129 13 C 1S 0.04245 0.02517 0.01174 0.00098 0.00753 130 2S -0.04860 -0.02438 -0.00762 -0.00883 0.00490 131 2PX 0.03235 0.14629 0.02902 -0.00402 -0.01001 132 2PY 0.32592 -0.14220 -0.07088 -0.06989 0.01890 133 2PZ 0.12548 0.20180 0.02871 0.00683 0.05848 134 3S -0.69507 -0.42774 -0.49245 -0.01364 -0.20468 135 3PX 0.14518 0.58970 -0.15307 -0.00257 -0.00978 136 3PY 1.37301 -0.47734 -0.29424 -0.28808 0.14405 137 3PZ 0.45297 0.90094 0.04775 0.03158 0.24742 138 4XX -0.01494 0.00163 -0.00573 0.00480 0.00054 139 4YY 0.02627 -0.00809 0.01242 -0.00498 0.00126 140 4ZZ -0.00596 0.01032 -0.00592 -0.00218 0.00275 141 4XY 0.00264 0.00241 0.00662 0.00051 -0.00135 142 4XZ -0.00094 0.01343 -0.00628 0.00208 -0.01221 143 4YZ 0.00510 0.00510 -0.02348 -0.00169 0.00199 144 14 C 1S -0.04248 -0.02515 0.01176 -0.00099 -0.00754 145 2S 0.04862 0.02439 -0.00763 0.00884 -0.00491 146 2PX -0.03246 -0.14627 0.02931 0.00403 0.00997 147 2PY 0.32590 -0.14204 0.07117 -0.06991 0.01891 148 2PZ -0.12548 -0.20178 0.02894 -0.00687 -0.05845 149 3S 0.69595 0.42687 -0.49294 0.01373 0.20485 150 3PX -0.14565 -0.59001 -0.15182 0.00262 0.00970 151 3PY 1.37283 -0.47669 0.29524 -0.28810 0.14403 152 3PZ -0.45327 -0.90089 0.04895 -0.03168 -0.24750 153 4XX 0.01495 -0.00165 -0.00572 -0.00479 -0.00053 154 4YY -0.02628 0.00811 0.01239 0.00497 -0.00126 155 4ZZ 0.00595 -0.01032 -0.00589 0.00218 -0.00275 156 4XY 0.00264 0.00239 -0.00662 0.00051 -0.00136 157 4XZ 0.00093 -0.01344 -0.00626 -0.00208 0.01220 158 4YZ 0.00507 0.00514 0.02348 -0.00169 0.00198 159 15 C 1S -0.00501 0.05461 0.04989 0.01183 0.00112 160 2S -0.01911 -0.06386 -0.05067 -0.01457 0.03162 161 2PX -0.03122 0.03938 0.16614 0.08598 0.01369 162 2PY -0.04685 -0.04815 -0.13032 0.02965 0.00221 163 2PZ 0.02997 -0.15515 0.17513 -0.02968 -0.00026 164 3S 0.41595 -1.37544 -1.44094 -0.20211 -0.12332 165 3PX -0.26633 0.06293 1.06963 -0.07223 -0.13171 166 3PY -0.13609 -0.13920 -0.85990 0.07405 -0.14652 167 3PZ -0.14012 -0.67715 1.01376 -0.10940 -0.14450 168 4XX -0.00287 0.00930 0.01013 -0.00492 -0.00617 169 4YY 0.00719 -0.02213 -0.00261 0.00404 0.00162 170 4ZZ -0.00575 0.01851 -0.00224 0.00470 0.00847 171 4XY 0.01180 0.01092 -0.01300 0.00593 -0.00776 172 4XZ -0.00620 0.01089 0.00235 -0.00061 -0.00587 173 4YZ 0.01997 0.01499 -0.01318 -0.00466 0.00688 174 16 H 1S -0.00072 -0.06441 0.08436 -0.04222 -0.00086 175 2S -0.70151 -0.13179 0.19512 -0.06215 0.05948 176 17 H 1S 0.00068 0.06453 0.08426 0.04222 0.00085 177 2S 0.70193 0.13213 0.19509 0.06215 -0.05947 178 18 H 1S -0.04858 0.09261 -0.02691 -0.01843 0.00913 179 2S 0.14673 -0.07504 -0.43576 -0.18362 0.11049 180 19 H 1S -0.05915 0.00897 -0.03398 0.01519 -0.03027 181 2S -0.65900 -0.47083 0.15212 0.11690 -0.11292 182 20 H 1S 0.05923 -0.00899 -0.03392 -0.01518 0.03026 183 2S 0.65913 0.47100 0.15127 -0.11693 0.11298 184 21 H 1S 0.04858 -0.09266 -0.02675 0.01844 -0.00914 185 2S -0.14713 0.07440 -0.43584 0.18356 -0.11044 186 22 H 1S -0.03643 -0.01804 -0.04192 0.00550 0.02145 187 2S -0.53276 0.09857 0.07658 0.09634 -0.19825 188 23 H 1S 0.03646 0.01794 -0.04196 -0.00549 -0.02144 189 2S 0.53278 -0.09828 0.07721 -0.09633 0.19822 66 67 68 69 70 V V V V V Eigenvalues -- 0.43216 0.47398 0.47797 0.49140 0.50831 1 1 C 1S 0.00851 -0.00400 -0.00859 0.00102 -0.02782 2 2S -0.00017 -0.21671 0.06389 -0.08099 -0.01554 3 2PX -0.01225 0.05409 0.10248 -0.19450 0.16425 4 2PY -0.01547 -0.31642 -0.06922 0.02030 -0.20525 5 2PZ 0.02132 0.10369 0.11308 0.10942 0.29638 6 3S -0.24236 0.06164 -0.06720 0.02906 0.07280 7 3PX 0.06020 -0.04783 0.10806 0.22600 -0.16296 8 3PY -0.09747 0.42488 -0.15123 0.02399 0.19045 9 3PZ -0.03028 -0.22581 0.09994 -0.13171 -0.32412 10 4XX -0.00106 0.00758 0.00259 -0.00457 0.00939 11 4YY 0.00314 -0.07465 0.00914 -0.00699 -0.01798 12 4ZZ -0.00220 0.02589 -0.00885 -0.00177 -0.03215 13 4XY -0.00292 -0.00272 -0.00245 -0.01435 0.02750 14 4XZ -0.00121 -0.02772 -0.00467 -0.00534 -0.02621 15 4YZ -0.00143 -0.00265 0.00129 -0.02036 -0.00775 16 2 O 1S -0.00186 0.01082 0.00847 -0.00175 0.01451 17 2S 0.02441 0.05184 0.01333 -0.03065 -0.13483 18 2PX -0.04318 0.06608 0.01170 -0.02350 -0.00452 19 2PY -0.02800 0.08557 -0.04260 0.07267 -0.11358 20 2PZ 0.01782 0.04867 0.07963 0.00508 0.13817 21 3S 0.02137 -0.49436 -0.13166 0.07023 0.26425 22 3PX 0.00348 -0.04409 0.11392 -0.07299 -0.06761 23 3PY 0.01734 -0.33907 0.01493 -0.01391 0.01210 24 3PZ 0.00912 -0.00434 0.06747 0.07317 0.03810 25 4XX 0.00513 0.05360 0.01299 -0.00815 -0.01023 26 4YY 0.01150 -0.05524 0.01121 -0.01384 -0.02059 27 4ZZ 0.00653 0.04800 0.01694 -0.02073 -0.02285 28 4XY 0.00422 -0.02185 -0.00793 0.01261 -0.00404 29 4XZ 0.00977 -0.01918 0.01775 -0.01580 0.03916 30 4YZ 0.00900 -0.02335 0.00251 0.00084 -0.00754 31 3 C 1S 0.00000 0.01004 -0.00001 0.00756 -0.01609 32 2S 0.00000 -0.36575 0.00043 -0.00672 0.09798 33 2PX 0.00003 0.37669 -0.00045 -0.13865 -0.29040 34 2PY -0.10843 -0.00004 0.00495 -0.00003 0.00002 35 2PZ 0.00002 0.31869 -0.00041 0.05629 0.03593 36 3S 0.00006 0.91963 -0.00112 -0.07167 -0.12254 37 3PX -0.00011 -0.79800 0.00100 0.39770 0.43642 38 3PY 0.12640 0.00022 0.10561 0.00001 0.00002 39 3PZ 0.00005 -0.71022 0.00096 -0.12294 -0.34431 40 4XX 0.00000 -0.01089 0.00001 -0.02611 -0.03732 41 4YY 0.00001 0.03632 -0.00004 0.00514 0.00492 42 4ZZ -0.00001 -0.01434 0.00002 0.02865 0.01858 43 4XY -0.00484 -0.00001 -0.00375 0.00000 0.00000 44 4XZ 0.00000 -0.01529 0.00002 0.01364 -0.00821 45 4YZ -0.00822 -0.00001 -0.00878 0.00000 0.00000 46 4 C 1S -0.00852 -0.00397 0.00860 0.00102 -0.02783 47 2S 0.00024 -0.21687 -0.06339 -0.08095 -0.01547 48 2PX 0.01232 0.05379 -0.10273 -0.19444 0.16425 49 2PY -0.01551 0.31625 -0.06996 -0.02024 0.20518 50 2PZ -0.02133 0.10343 -0.11337 0.10949 0.29647 51 3S 0.24237 0.06156 0.06697 0.02888 0.07294 52 3PX -0.06032 -0.04812 -0.10784 0.22598 -0.16292 53 3PY -0.09739 -0.42506 -0.15027 -0.02388 -0.19062 54 3PZ 0.03028 -0.22617 -0.09943 -0.13180 -0.32428 55 4XX 0.00107 0.00757 -0.00262 -0.00457 0.00940 56 4YY -0.00313 -0.07467 -0.00897 -0.00698 -0.01798 57 4ZZ 0.00219 0.02592 0.00880 -0.00177 -0.03214 58 4XY -0.00293 0.00272 -0.00244 0.01435 -0.02750 59 4XZ 0.00122 -0.02770 0.00473 -0.00534 -0.02621 60 4YZ -0.00144 0.00263 0.00128 0.02036 0.00775 61 5 H 1S -0.00003 0.03704 -0.00005 0.07919 0.08961 62 2S -0.00009 0.00411 -0.00002 0.07707 0.24456 63 6 H 1S 0.00002 0.05631 -0.00009 -0.11198 -0.15010 64 2S 0.00004 0.05050 -0.00006 -0.09424 -0.07489 65 7 O 1S 0.00186 0.01079 -0.00850 -0.00174 0.01452 66 2S -0.02440 0.05182 -0.01347 -0.03067 -0.13483 67 2PX 0.04321 0.06605 -0.01183 -0.02347 -0.00452 68 2PY -0.02800 -0.08570 -0.04244 -0.07266 0.11358 69 2PZ -0.01783 0.04842 -0.07981 0.00510 0.13821 70 3S -0.02139 -0.49399 0.13294 0.07027 0.26429 71 3PX -0.00344 -0.04441 -0.11385 -0.07297 -0.06762 72 3PY 0.01734 0.33908 0.01412 0.01387 -0.01208 73 3PZ -0.00915 -0.00445 -0.06745 0.07319 0.03809 74 4XX -0.00512 0.05356 -0.01312 -0.00814 -0.01022 75 4YY -0.01150 -0.05527 -0.01109 -0.01384 -0.02059 76 4ZZ -0.00653 0.04797 -0.01707 -0.02073 -0.02284 77 4XY 0.00423 0.02183 -0.00799 -0.01260 0.00404 78 4XZ -0.00976 -0.01923 -0.01772 -0.01579 0.03917 79 4YZ 0.00900 0.02333 0.00245 -0.00084 0.00754 80 8 H 1S -0.00191 -0.07817 0.02205 -0.08483 -0.19784 81 2S -0.07238 -0.02451 -0.02992 0.08759 -0.04187 82 9 H 1S 0.00192 -0.07825 -0.02184 -0.08483 -0.19783 83 2S 0.07233 -0.02436 0.03006 0.08764 -0.04189 84 10 C 1S 0.09297 -0.00197 0.03358 -0.00379 -0.00423 85 2S -0.03030 -0.05808 -0.01621 0.06498 -0.33230 86 2PX -0.04082 -0.09852 -0.16351 0.12710 -0.08382 87 2PY -0.15076 -0.04954 0.22077 -0.24797 -0.03590 88 2PZ -0.11611 0.12603 -0.11102 0.13660 -0.06443 89 3S -3.56240 0.18931 -1.45100 -0.00090 0.36857 90 3PX -1.02322 0.08137 -1.81208 -0.14131 0.06470 91 3PY -2.25600 -0.03103 1.70992 0.36860 0.01944 92 3PZ -1.26272 -0.11964 -1.45089 -0.15592 0.07924 93 4XX -0.00255 0.00698 0.01395 0.01030 -0.00993 94 4YY 0.00685 -0.00885 -0.02035 -0.02337 -0.04663 95 4ZZ -0.00741 -0.00206 -0.00209 0.01747 -0.01514 96 4XY 0.00893 0.00697 0.00314 -0.01910 0.00375 97 4XZ -0.00498 -0.00169 0.00252 0.01944 -0.03192 98 4YZ 0.00824 0.00592 0.00459 -0.01976 0.00080 99 11 C 1S -0.09297 -0.00204 -0.03357 -0.00378 -0.00425 100 2S 0.03023 -0.05807 0.01641 0.06497 -0.33228 101 2PX 0.04081 -0.09812 0.16387 0.12707 -0.08378 102 2PY -0.15075 0.05004 0.22076 0.24781 0.03598 103 2PZ 0.11604 0.12625 0.11081 0.13662 -0.06435 104 3S 3.56255 0.19247 1.45028 -0.00113 0.36935 105 3PX 1.02284 0.08548 1.81197 -0.14204 0.06533 106 3PY -2.25640 0.03511 1.70894 -0.36949 -0.01910 107 3PZ 1.26244 -0.11633 1.45123 -0.15645 0.07981 108 4XX 0.00255 0.00695 -0.01396 0.01031 -0.00994 109 4YY -0.00687 -0.00880 0.02035 -0.02339 -0.04662 110 4ZZ 0.00742 -0.00205 0.00212 0.01747 -0.01513 111 4XY 0.00892 -0.00696 0.00318 0.01909 -0.00376 112 4XZ 0.00498 -0.00170 -0.00249 0.01944 -0.03193 113 4YZ 0.00823 -0.00591 0.00462 0.01975 -0.00080 114 12 C 1S 0.08006 0.00726 0.04115 -0.00014 -0.00065 115 2S -0.05678 -0.09496 0.01190 0.02358 -0.13251 116 2PX -0.11019 -0.04985 0.05354 -0.24901 0.09738 117 2PY 0.12926 0.06164 0.05960 0.00812 0.00592 118 2PZ -0.14485 -0.02259 0.19036 -0.19376 0.07373 119 3S -2.35130 0.00594 -2.13741 0.15019 -0.00523 120 3PX 0.28445 0.04160 1.64583 0.47723 -0.05933 121 3PY 1.87575 -0.04005 0.91894 0.00692 0.10356 122 3PZ -0.57147 0.19679 1.79556 0.34701 -0.17691 123 4XX 0.00039 -0.00233 0.02197 0.01143 -0.00868 124 4YY 0.00201 0.01229 -0.00827 -0.00916 -0.00644 125 4ZZ -0.00842 -0.02266 -0.01410 -0.01042 -0.00569 126 4XY 0.01700 -0.01242 0.00696 0.02815 -0.01018 127 4XZ -0.01030 -0.00884 0.01371 0.01366 -0.02765 128 4YZ 0.00523 0.01338 0.01281 0.02801 -0.00001 129 13 C 1S -0.05781 -0.00521 -0.00860 0.00041 0.00109 130 2S -0.02160 -0.06905 0.00017 0.06023 0.00095 131 2PX 0.01441 -0.16203 0.01056 0.07792 0.21392 132 2PY 0.02801 0.05277 -0.18925 -0.29522 -0.02152 133 2PZ -0.08586 0.16472 0.15345 0.04025 -0.00802 134 3S 1.82654 0.05264 0.03545 -0.21155 0.08736 135 3PX -0.50890 0.23937 -0.06470 -0.13895 -0.28046 136 3PY -0.40589 -0.05187 -1.14335 0.30685 0.05941 137 3PZ -1.62436 -0.14242 0.40057 -0.03686 -0.01694 138 4XX 0.01908 -0.00219 -0.00424 -0.01283 0.00773 139 4YY 0.00214 -0.01656 -0.00719 0.06121 0.00629 140 4ZZ -0.02746 -0.00826 0.01039 -0.03538 -0.00313 141 4XY 0.00207 -0.02134 0.00251 0.01223 0.02779 142 4XZ -0.01028 -0.02767 -0.02005 -0.00820 0.04330 143 4YZ -0.00175 0.01508 -0.00797 0.01224 -0.00196 144 14 C 1S 0.05782 -0.00518 0.00861 0.00041 0.00109 145 2S 0.02157 -0.06909 -0.00001 0.06026 0.00093 146 2PX -0.01436 -0.16201 -0.01015 0.07792 0.21393 147 2PY 0.02794 -0.05332 -0.18909 0.29535 0.02152 148 2PZ 0.08589 0.16435 -0.15377 0.04044 -0.00801 149 3S -1.82650 0.05279 -0.03549 -0.21177 0.08715 150 3PX 0.50924 0.23947 0.06401 -0.13882 -0.28029 151 3PY -0.40620 0.04925 -1.14343 -0.30637 -0.05983 152 3PZ 1.62420 -0.14352 -0.40060 -0.03655 -0.01695 153 4XX -0.01906 -0.00220 0.00426 -0.01283 0.00775 154 4YY -0.00216 -0.01653 0.00723 0.06120 0.00628 155 4ZZ 0.02745 -0.00827 -0.01039 -0.03537 -0.00315 156 4XY 0.00209 0.02135 0.00243 -0.01224 -0.02780 157 4XZ 0.01030 -0.02762 0.02009 -0.00822 0.04328 158 4YZ -0.00175 -0.01511 -0.00792 -0.01221 0.00196 159 15 C 1S -0.08006 0.00718 -0.04117 -0.00013 -0.00067 160 2S 0.05681 -0.09492 -0.01160 0.02363 -0.13255 161 2PX 0.11028 -0.04995 -0.05364 -0.24899 0.09735 162 2PY 0.12926 -0.06148 0.05984 -0.00805 -0.00595 163 2PZ 0.14489 -0.02298 -0.19040 -0.19364 0.07362 164 3S 2.35118 0.01057 2.13755 0.14954 -0.00428 165 3PX -0.28404 0.03779 -1.64573 0.47784 -0.05997 166 3PY 1.87562 0.04197 0.91941 -0.00720 -0.10300 167 3PZ 0.57180 0.19249 -1.79572 0.34789 -0.17731 168 4XX -0.00039 -0.00237 -0.02195 0.01143 -0.00869 169 4YY -0.00202 0.01231 0.00824 -0.00913 -0.00645 170 4ZZ 0.00843 -0.02262 0.01415 -0.01044 -0.00570 171 4XY 0.01698 0.01243 0.00692 -0.02816 0.01019 172 4XZ 0.01030 -0.00887 -0.01366 0.01365 -0.02766 173 4YZ 0.00523 -0.01335 0.01283 -0.02802 0.00001 174 16 H 1S 0.04078 0.00365 0.03607 -0.01153 -0.07764 175 2S -1.03642 -0.07885 -0.42437 0.04208 -0.04273 176 17 H 1S -0.04078 0.00357 -0.03609 -0.01154 -0.07768 177 2S 1.03638 -0.07792 0.42456 0.04201 -0.04252 178 18 H 1S 0.08373 0.07548 -0.03354 -0.01004 -0.02088 179 2S -0.74067 0.00014 -0.21712 -0.02505 -0.07781 180 19 H 1S 0.05306 -0.08398 -0.07731 -0.02361 0.14629 181 2S 0.17288 -0.08879 0.11373 0.07986 0.02163 182 20 H 1S -0.05312 -0.08382 0.07753 -0.02365 0.14626 183 2S -0.17284 -0.08909 -0.11357 0.07985 0.02160 184 21 H 1S -0.08373 0.07556 0.03340 -0.01004 -0.02090 185 2S 0.74068 0.00059 0.21713 -0.02503 -0.07768 186 22 H 1S 0.05926 0.13991 0.06603 -0.02978 -0.17010 187 2S 0.28285 -0.06704 -0.03720 0.04891 0.06075 188 23 H 1S -0.05920 0.13975 -0.06632 -0.02976 -0.17007 189 2S -0.28294 -0.06693 0.03731 0.04887 0.06074 71 72 73 74 75 V V V V V Eigenvalues -- 0.52317 0.54653 0.54787 0.54867 0.56891 1 1 C 1S -0.00944 -0.04596 -0.00662 -0.02134 -0.01979 2 2S 0.01703 0.04473 -0.16622 0.00677 0.08443 3 2PX 0.33503 -0.14705 -0.29047 0.00080 0.43671 4 2PY -0.06248 0.18032 -0.13148 -0.18637 -0.07032 5 2PZ -0.13090 0.03242 0.02827 0.07929 0.05737 6 3S -0.14338 1.08415 0.00932 -0.13906 0.12643 7 3PX -0.40205 0.68381 0.54140 0.14287 -0.89768 8 3PY 0.19267 0.72389 0.38061 0.35602 0.13512 9 3PZ 0.17633 0.27186 0.15256 -0.03086 -0.07747 10 4XX -0.02496 0.00943 -0.00438 0.00147 -0.01654 11 4YY 0.00106 -0.02167 -0.03089 -0.00934 0.00730 12 4ZZ 0.00253 0.00995 0.01538 -0.00804 -0.02195 13 4XY 0.02332 -0.01323 -0.04772 -0.00792 -0.00657 14 4XZ -0.01118 -0.01142 -0.01524 -0.02019 -0.02836 15 4YZ 0.02613 -0.01531 -0.00189 -0.00883 0.00052 16 2 O 1S -0.00214 0.00737 0.00120 0.00435 0.00343 17 2S -0.13985 -0.09611 -0.01288 -0.15657 -0.07789 18 2PX 0.10180 -0.02719 -0.07684 0.02805 0.10067 19 2PY -0.15664 -0.21093 -0.03981 -0.11668 -0.14942 20 2PZ -0.08793 -0.05689 -0.03776 -0.04657 0.04618 21 3S 0.61704 0.27725 0.08006 0.56882 0.54596 22 3PX 0.00952 0.21851 0.05035 -0.00992 0.04150 23 3PY 0.19742 0.01600 0.02195 0.15444 0.09894 24 3PZ -0.12203 0.25864 0.06410 0.01263 -0.02102 25 4XX -0.04010 -0.02056 -0.01284 -0.03974 0.00339 26 4YY 0.00212 0.00015 0.02099 -0.00639 -0.01381 27 4ZZ -0.04400 -0.01477 -0.01036 -0.04212 0.00358 28 4XY -0.00353 0.05390 0.01833 0.01256 0.00366 29 4XZ 0.03596 0.01610 -0.01297 0.02835 0.05646 30 4YZ 0.00380 0.05929 0.02262 0.01784 -0.00425 31 3 C 1S -0.01514 0.00001 -0.00361 -0.02239 0.00000 32 2S 0.14613 -0.00018 0.13355 0.25158 0.00004 33 2PX -0.06753 0.00020 -0.17561 -0.28129 -0.00009 34 2PY -0.00002 -0.85347 -0.00058 -0.00015 -0.25767 35 2PZ -0.45844 0.00018 -0.22623 -0.30836 -0.00014 36 3S -0.30173 0.00028 -0.23254 -0.34915 -0.00008 37 3PX 0.11476 -0.00062 0.63364 0.66104 0.00034 38 3PY 0.00001 1.46683 0.00098 0.00022 0.53816 39 3PZ 0.94775 -0.00065 0.72799 0.94666 0.00048 40 4XX 0.02772 -0.00001 0.00797 0.01271 0.00000 41 4YY -0.03416 0.00004 -0.02556 -0.01962 0.00000 42 4ZZ -0.03183 -0.00001 0.00557 -0.02083 -0.00001 43 4XY 0.00000 -0.04312 -0.00003 -0.00001 -0.03034 44 4XZ 0.00053 -0.00003 0.03057 0.01648 0.00002 45 4YZ 0.00000 -0.05049 -0.00004 -0.00001 -0.02434 46 4 C 1S -0.00943 0.04597 -0.00656 -0.02133 0.01978 47 2S 0.01697 -0.04453 -0.16613 0.00673 -0.08470 48 2PX 0.33504 0.14740 -0.29025 0.00106 -0.43679 49 2PY 0.06253 0.18004 0.13175 0.18648 -0.07031 50 2PZ -0.13090 -0.03243 0.02833 0.07927 -0.05747 51 3S -0.14349 -1.08401 0.00741 -0.13931 -0.12596 52 3PX -0.40218 -0.68457 0.54038 0.14218 0.89798 53 3PY -0.19249 0.72470 -0.37958 -0.35586 0.13517 54 3PZ 0.17638 -0.27194 0.15187 -0.03089 0.07757 55 4XX -0.02496 -0.00941 -0.00439 0.00145 0.01655 56 4YY 0.00108 0.02172 -0.03085 -0.00933 -0.00732 57 4ZZ 0.00252 -0.00998 0.01537 -0.00805 0.02192 58 4XY -0.02332 -0.01330 0.04770 0.00792 -0.00655 59 4XZ -0.01118 0.01145 -0.01522 -0.02018 0.02833 60 4YZ -0.02614 -0.01530 0.00186 0.00882 0.00057 61 5 H 1S -0.16535 0.00015 -0.13051 -0.22997 -0.00011 62 2S -0.22762 0.00022 -0.20045 -0.31348 -0.00015 63 6 H 1S 0.06056 0.00008 -0.09366 -0.06893 -0.00006 64 2S 0.03876 0.00017 -0.19595 -0.13673 -0.00009 65 7 O 1S -0.00214 -0.00737 0.00119 0.00434 -0.00342 66 2S -0.13983 0.09623 -0.01274 -0.15653 0.07777 67 2PX 0.10179 0.02728 -0.07680 0.02808 -0.10069 68 2PY 0.15662 -0.21110 0.03956 0.11663 -0.14949 69 2PZ -0.08791 0.05693 -0.03764 -0.04650 -0.04628 70 3S 0.61693 -0.27775 0.07977 0.56877 -0.54572 71 3PX 0.00952 -0.21857 0.05000 -0.00999 -0.04143 72 3PY -0.19740 0.01619 -0.02197 -0.15444 0.09885 73 3PZ -0.12211 -0.25870 0.06370 0.01244 0.02113 74 4XX -0.04010 0.02060 -0.01279 -0.03973 -0.00344 75 4YY 0.00213 -0.00021 0.02100 -0.00638 0.01380 76 4ZZ -0.04400 0.01484 -0.01035 -0.04211 -0.00361 77 4XY 0.00353 0.05394 -0.01824 -0.01255 0.00364 78 4XZ 0.03595 -0.01609 -0.01299 0.02836 -0.05647 79 4YZ -0.00378 0.05933 -0.02252 -0.01779 -0.00426 80 8 H 1S 0.09125 0.08755 0.00259 -0.12369 0.04076 81 2S 0.08665 -0.39167 0.31227 0.18579 0.03409 82 9 H 1S 0.09121 -0.08754 0.00247 -0.12374 -0.04105 83 2S 0.08670 0.39115 0.31289 0.18592 -0.03402 84 10 C 1S -0.00607 -0.00087 0.00970 -0.00159 -0.04594 85 2S -0.17988 0.02052 0.09699 0.19012 -0.09136 86 2PX 0.01261 -0.01972 0.01783 -0.19936 0.01960 87 2PY -0.18851 -0.05076 -0.00128 0.09626 0.23852 88 2PZ 0.04502 0.03796 -0.16574 0.26814 -0.07345 89 3S 0.37974 0.05710 -0.15449 -0.27921 0.97578 90 3PX 0.09703 0.01572 -0.00238 0.05806 0.66298 91 3PY 0.22953 0.14584 -0.03775 -0.19670 -0.32672 92 3PZ -0.04067 0.00548 0.14536 -0.27141 0.61394 93 4XX 0.01531 -0.00514 -0.00695 0.00155 0.01361 94 4YY -0.04916 0.01489 0.01348 0.04500 -0.06036 95 4ZZ 0.00329 -0.00253 0.02890 -0.01504 -0.00265 96 4XY 0.00936 -0.00419 0.03013 -0.01828 0.00513 97 4XZ -0.00370 0.00462 0.04124 -0.00954 -0.03635 98 4YZ 0.00032 -0.00403 0.03193 0.00180 0.00600 99 11 C 1S -0.00605 0.00086 0.00970 -0.00162 0.04595 100 2S -0.17989 -0.02077 0.09698 0.19005 0.09133 101 2PX 0.01263 0.01980 0.01781 -0.19930 -0.01984 102 2PY 0.18846 -0.05073 0.00124 -0.09639 0.23832 103 2PZ 0.04499 -0.03790 -0.16575 0.26803 0.07357 104 3S 0.37912 -0.05675 -0.15443 -0.27847 -0.97572 105 3PX 0.09651 -0.01576 -0.00245 0.05852 -0.66278 106 3PY -0.22967 0.14571 0.03756 0.19695 -0.32631 107 3PZ -0.04115 -0.00549 0.14534 -0.27090 -0.61406 108 4XX 0.01531 0.00515 -0.00696 0.00157 -0.01362 109 4YY -0.04916 -0.01493 0.01348 0.04496 0.06038 110 4ZZ 0.00329 0.00250 0.02890 -0.01504 0.00265 111 4XY -0.00937 -0.00416 -0.03014 0.01829 0.00517 112 4XZ -0.00370 -0.00468 0.04122 -0.00956 0.03635 113 4YZ -0.00033 -0.00399 -0.03194 -0.00179 0.00603 114 12 C 1S 0.00899 -0.00573 -0.00060 0.00296 -0.01426 115 2S -0.00218 0.04224 -0.05166 -0.00460 0.08406 116 2PX 0.10642 0.08843 -0.06897 -0.10151 -0.31263 117 2PY -0.03800 -0.07529 0.15435 0.08891 0.03787 118 2PZ -0.12388 0.08035 -0.04271 0.04515 -0.10963 119 3S -0.34132 -0.12872 0.16723 0.27579 1.12944 120 3PX -0.14073 -0.16526 0.18584 0.04861 0.09997 121 3PY 0.32841 0.13227 -0.27341 -0.41116 -0.75557 122 3PZ 0.35712 0.01520 0.02008 -0.03800 -0.21579 123 4XX 0.01346 0.00387 -0.02920 0.00061 -0.00194 124 4YY 0.01941 -0.00489 0.05566 -0.00782 0.01821 125 4ZZ -0.02599 0.00242 -0.03663 0.01726 0.00643 126 4XY 0.00180 0.00196 0.00009 -0.01284 0.00476 127 4XZ -0.01481 -0.00896 -0.00276 0.02601 0.04070 128 4YZ 0.03559 0.01210 -0.01246 -0.01926 -0.02385 129 13 C 1S 0.00316 0.00388 0.00068 0.00096 -0.00265 130 2S -0.11649 -0.04275 -0.06195 0.09974 0.11665 131 2PX 0.01440 0.10524 0.06455 -0.23192 -0.04358 132 2PY -0.07441 0.07381 0.19304 -0.06789 0.05798 133 2PZ 0.27281 0.11205 0.09849 -0.27079 -0.16934 134 3S 0.15262 0.28515 -0.17562 -0.21717 -0.56034 135 3PX 0.00057 0.04621 -0.11792 0.26093 0.31132 136 3PY 0.04467 -0.15969 -0.25165 0.11981 0.31016 137 3PZ -0.32962 -0.08427 -0.05971 0.35086 0.42702 138 4XX 0.00287 -0.00995 0.02645 -0.03045 -0.00338 139 4YY -0.00477 0.00937 -0.04678 0.02866 0.00367 140 4ZZ -0.01540 0.00898 -0.00718 0.01714 -0.00003 141 4XY -0.00626 -0.00236 0.02247 -0.01527 -0.00002 142 4XZ -0.02149 0.00650 0.00210 -0.01425 -0.01262 143 4YZ 0.00579 -0.00422 0.03312 0.01483 0.00832 144 14 C 1S 0.00315 -0.00388 0.00067 0.00096 0.00265 145 2S -0.11648 0.04279 -0.06192 0.09978 -0.11671 146 2PX 0.01448 -0.10523 0.06443 -0.23220 0.04360 147 2PY 0.07437 0.07400 -0.19290 0.06789 0.05802 148 2PZ 0.27272 -0.11205 0.09843 -0.27083 0.16947 149 3S 0.15266 -0.28487 -0.17606 -0.21755 0.56047 150 3PX 0.00037 -0.04621 -0.11797 0.26128 -0.31148 151 3PY -0.04439 -0.15989 0.25149 -0.12013 0.31018 152 3PZ -0.32955 0.08420 -0.05956 0.35105 -0.42710 153 4XX 0.00286 0.00994 0.02646 -0.03046 0.00338 154 4YY -0.00476 -0.00933 -0.04679 0.02868 -0.00367 155 4ZZ -0.01540 -0.00897 -0.00720 0.01714 0.00004 156 4XY 0.00627 -0.00235 -0.02247 0.01527 0.00000 157 4XZ -0.02150 -0.00649 0.00205 -0.01421 0.01261 158 4YZ -0.00579 -0.00416 -0.03313 -0.01484 0.00835 159 15 C 1S 0.00901 0.00573 -0.00059 0.00294 0.01424 160 2S -0.00224 -0.04215 -0.05169 -0.00448 -0.08411 161 2PX 0.10641 -0.08832 -0.06901 -0.10176 0.31251 162 2PY 0.03795 -0.07499 -0.15440 -0.08894 0.03793 163 2PZ -0.12385 -0.08026 -0.04287 0.04518 0.10971 164 3S -0.34180 0.12835 0.16723 0.27650 -1.12942 165 3PX -0.14029 0.16504 0.18606 0.04868 -0.10007 166 3PY -0.32874 0.13167 0.27356 0.41173 -0.75586 167 3PZ 0.35730 -0.01527 0.02039 -0.03828 0.21542 168 4XX 0.01346 -0.00384 -0.02920 0.00061 0.00197 169 4YY 0.01942 0.00481 0.05566 -0.00781 -0.01826 170 4ZZ -0.02599 -0.00236 -0.03663 0.01727 -0.00645 171 4XY -0.00180 0.00195 -0.00007 0.01282 0.00479 172 4XZ -0.01481 0.00896 -0.00275 0.02605 -0.04074 173 4YZ -0.03557 0.01209 0.01248 0.01927 -0.02385 174 16 H 1S -0.01073 0.01969 0.26225 -0.05689 -0.16828 175 2S -0.04789 0.06555 -0.11993 0.01393 0.20202 176 17 H 1S -0.01071 -0.02003 0.26222 -0.05698 0.16818 177 2S -0.04810 -0.06540 -0.11993 0.01408 -0.20194 178 18 H 1S 0.04057 -0.05772 0.26300 -0.01755 0.11258 179 2S -0.13426 -0.00640 -0.08726 0.20350 0.24331 180 19 H 1S -0.00184 -0.01446 0.15763 -0.13218 -0.08361 181 2S -0.01816 -0.15948 0.00868 0.10854 -0.22191 182 20 H 1S -0.00185 0.01435 0.15758 -0.13219 0.08356 183 2S -0.01812 0.15945 0.00898 0.10861 0.22208 184 21 H 1S 0.04058 0.05736 0.26305 -0.01745 -0.11284 185 2S -0.13437 0.00641 -0.08723 0.20367 -0.24336 186 22 H 1S 0.06272 -0.00701 0.06181 0.05803 0.06039 187 2S -0.05194 0.04582 -0.01765 -0.02802 0.01692 188 23 H 1S 0.06275 0.00683 0.06190 0.05798 -0.06038 189 2S -0.05189 -0.04572 -0.01782 -0.02805 -0.01687 76 77 78 79 80 V V V V V Eigenvalues -- 0.57934 0.60743 0.61335 0.61823 0.63631 1 1 C 1S -0.00533 0.01845 0.01201 -0.00896 -0.01498 2 2S -0.34791 0.22836 0.13644 -0.21672 0.14396 3 2PX -0.10748 0.17616 0.12793 -0.03995 -0.01432 4 2PY 0.06074 -0.33712 0.16148 0.06924 0.23766 5 2PZ -0.12509 0.23677 -0.04699 -0.12694 -0.11708 6 3S 0.64553 -0.66067 0.03018 0.46104 -0.68304 7 3PX 0.26553 -0.53527 -0.14815 0.14136 0.17572 8 3PY -0.16220 0.33582 -0.39269 -0.20958 -0.76965 9 3PZ 0.19563 -0.51818 -0.00473 0.06498 -0.15685 10 4XX 0.01626 -0.02779 0.02561 0.00531 0.05021 11 4YY -0.03597 0.06431 0.03870 -0.01181 -0.04350 12 4ZZ -0.01961 -0.00798 -0.02289 -0.02911 0.00401 13 4XY -0.01724 0.00328 0.01258 -0.01359 0.00559 14 4XZ -0.01729 -0.00246 0.01810 -0.01521 -0.00562 15 4YZ -0.04666 0.00513 0.00044 -0.05779 -0.00839 16 2 O 1S 0.00312 -0.00518 0.00036 0.00266 0.00252 17 2S -0.02573 0.02869 0.01997 -0.06314 -0.05439 18 2PX -0.05923 0.07565 -0.00524 0.03002 -0.01941 19 2PY 0.10323 -0.09290 0.03116 0.13869 0.02634 20 2PZ -0.03145 0.05432 0.04680 -0.04789 0.04090 21 3S -0.12452 0.39307 -0.09118 0.00201 0.03972 22 3PX 0.10640 -0.16423 0.02279 0.05346 0.02375 23 3PY -0.01760 0.07620 0.03016 -0.02714 0.03785 24 3PZ 0.10300 -0.11045 0.00067 0.02966 0.03687 25 4XX -0.03162 0.05001 -0.00146 -0.03261 -0.03822 26 4YY -0.00102 -0.00501 0.00500 -0.02291 -0.00361 27 4ZZ -0.00324 0.00952 0.00513 -0.01440 -0.00612 28 4XY 0.01986 -0.01738 0.00224 0.02094 -0.00114 29 4XZ -0.03225 0.05519 0.00750 -0.01455 -0.01012 30 4YZ 0.00810 -0.01178 -0.00722 0.00976 -0.00319 31 3 C 1S 0.00672 -0.00001 0.00311 0.00174 0.00000 32 2S -0.03542 0.00006 -0.00720 -0.03274 0.00003 33 2PX -0.08768 -0.00010 0.02113 0.02758 -0.00001 34 2PY 0.00008 0.04603 0.00006 0.00015 -0.00713 35 2PZ -0.04553 0.00004 0.08453 -0.12315 0.00005 36 3S -0.01863 0.00000 -0.07414 0.07533 -0.00008 37 3PX 0.46549 0.00029 -0.14447 0.05289 -0.00002 38 3PY -0.00021 -0.09953 -0.00012 -0.00035 0.07581 39 3PZ 0.29341 0.00001 -0.34157 0.52020 -0.00019 40 4XX 0.00060 0.00001 -0.01688 0.00842 -0.00001 41 4YY -0.00665 -0.00002 0.01212 0.01985 0.00000 42 4ZZ 0.00258 0.00001 0.01032 -0.02785 0.00001 43 4XY 0.00001 -0.02055 -0.00002 -0.00001 0.01142 44 4XZ 0.03118 0.00000 -0.01174 0.03020 -0.00001 45 4YZ 0.00001 -0.00655 0.00000 0.00001 -0.00525 46 4 C 1S -0.00533 -0.01847 0.01196 -0.00899 0.01500 47 2S -0.34788 -0.22844 0.13600 -0.21701 -0.14378 48 2PX -0.10719 -0.17654 0.12752 -0.04008 0.01438 49 2PY -0.06046 -0.33667 -0.16228 -0.06958 0.23753 50 2PZ -0.12500 -0.23649 -0.04749 -0.12717 0.11717 51 3S 0.64570 0.66026 0.03151 0.46219 0.68287 52 3PX 0.26489 0.53562 -0.14692 0.14183 -0.17587 53 3PY 0.16180 0.33469 0.39366 0.20969 -0.76948 54 3PZ 0.19565 0.51818 -0.00364 0.06560 0.15662 55 4XX 0.01624 0.02774 0.02568 0.00533 -0.05020 56 4YY -0.03594 -0.06438 0.03854 -0.01191 0.04354 57 4ZZ -0.01961 0.00805 -0.02287 -0.02908 -0.00402 58 4XY 0.01725 0.00330 -0.01257 0.01360 0.00558 59 4XZ -0.01730 0.00244 0.01810 -0.01522 0.00563 60 4YZ 0.04665 0.00505 -0.00041 0.05780 -0.00840 61 5 H 1S -0.08734 -0.00002 0.10540 -0.19898 0.00008 62 2S -0.05849 -0.00002 0.14871 -0.19917 0.00008 63 6 H 1S -0.08721 -0.00002 -0.00112 -0.02244 0.00000 64 2S -0.20516 -0.00017 0.09487 -0.00112 0.00003 65 7 O 1S 0.00312 0.00518 0.00037 0.00267 -0.00253 66 2S -0.02577 -0.02866 0.01989 -0.06325 0.05444 67 2PX -0.05913 -0.07575 -0.00542 0.03001 0.01938 68 2PY -0.10312 -0.09268 -0.03136 -0.13872 0.02637 69 2PZ -0.03144 -0.05436 0.04670 -0.04802 -0.04084 70 3S -0.12412 -0.39296 -0.09204 0.00187 -0.03974 71 3PX 0.10640 0.16417 0.02319 0.05366 -0.02378 72 3PY 0.01751 0.07623 -0.03001 0.02718 0.03780 73 3PZ 0.10298 0.11049 0.00093 0.02986 -0.03688 74 4XX -0.03160 -0.04997 -0.00157 -0.03268 0.03823 75 4YY -0.00103 0.00504 0.00501 -0.02292 0.00363 76 4ZZ -0.00323 -0.00952 0.00512 -0.01443 0.00613 77 4XY -0.01986 -0.01734 -0.00227 -0.02097 -0.00113 78 4XZ -0.03221 -0.05520 0.00738 -0.01460 0.01014 79 4YZ -0.00810 -0.01179 0.00719 -0.00979 -0.00319 80 8 H 1S -0.17112 -0.09506 0.00234 -0.28340 0.20256 81 2S 0.04866 0.04672 -0.18005 0.01040 0.24487 82 9 H 1S -0.17117 0.09538 0.00260 -0.28332 -0.20245 83 2S 0.04861 -0.04634 -0.18007 0.01030 -0.24498 84 10 C 1S 0.02299 -0.01986 0.00849 -0.02374 -0.02650 85 2S -0.06306 0.14433 0.12641 -0.22296 0.02180 86 2PX -0.22306 -0.05213 -0.48235 0.08605 -0.26956 87 2PY 0.28138 -0.11529 -0.06887 -0.17296 0.07858 88 2PZ -0.12517 0.25442 0.26163 0.06429 0.15255 89 3S -0.04729 -0.00805 -0.11473 0.67915 0.29957 90 3PX 0.19895 0.31532 0.61804 0.09397 0.61326 91 3PY -0.30208 -0.24917 0.23398 0.19728 0.08389 92 3PZ 0.02605 0.02206 -0.09250 0.11244 0.09987 93 4XX -0.01058 -0.00313 -0.01417 -0.02516 -0.02657 94 4YY 0.02674 0.01811 0.00210 -0.04654 -0.01844 95 4ZZ 0.00416 -0.00140 0.06270 0.00916 0.02957 96 4XY -0.01574 0.00196 -0.02490 -0.01467 0.01090 97 4XZ 0.01700 -0.01542 0.04332 -0.03476 -0.01489 98 4YZ -0.02143 0.00097 0.02859 -0.02743 -0.00040 99 11 C 1S 0.02294 0.01988 0.00852 -0.02372 0.02650 100 2S -0.06307 -0.14438 0.12612 -0.22320 -0.02179 101 2PX -0.22300 0.05302 -0.48224 0.08620 0.26955 102 2PY -0.28148 -0.11567 0.06857 0.17262 0.07866 103 2PZ -0.12526 -0.25523 0.26107 0.06382 -0.15256 104 3S -0.04642 0.00720 -0.11456 0.67910 -0.29975 105 3PX 0.19965 -0.31681 0.61745 0.09327 -0.61321 106 3PY 0.30237 -0.24839 -0.23464 -0.19771 0.08380 107 3PZ 0.02672 -0.02199 -0.09242 0.11237 -0.09977 108 4XX -0.01056 0.00318 -0.01416 -0.02514 0.02657 109 4YY 0.02669 -0.01806 0.00204 -0.04661 0.01842 110 4ZZ 0.00416 0.00127 0.06270 0.00916 -0.02955 111 4XY 0.01575 0.00187 0.02490 0.01467 0.01088 112 4XZ 0.01697 0.01538 0.04334 -0.03474 0.01491 113 4YZ 0.02142 0.00097 -0.02861 0.02742 -0.00043 114 12 C 1S -0.04631 -0.03207 0.00297 0.02861 0.00126 115 2S 0.00215 -0.03544 0.14756 -0.06689 -0.05547 116 2PX 0.02282 0.01915 -0.15834 -0.19084 0.12211 117 2PY -0.11243 -0.11460 -0.06960 -0.08345 -0.01311 118 2PZ 0.00280 -0.12876 0.05829 0.22804 -0.47151 119 3S -0.11926 -0.08010 -0.47138 -0.23612 0.47031 120 3PX -0.30234 -0.45334 0.09792 0.42848 -0.18795 121 3PY 0.07663 0.24649 0.41887 0.77731 -0.26979 122 3PZ -0.12603 -0.32259 -0.05098 -0.09701 0.60587 123 4XX 0.02317 0.01957 0.01653 0.03105 -0.01822 124 4YY -0.03220 -0.03854 0.02954 -0.03261 0.01888 125 4ZZ -0.04532 -0.03156 -0.02864 0.01865 -0.00444 126 4XY -0.03577 -0.02180 0.02096 0.01415 -0.02063 127 4XZ -0.06398 -0.05132 -0.02251 0.00523 0.01099 128 4YZ 0.01037 0.03622 -0.02627 -0.01172 0.01810 129 13 C 1S 0.01475 0.00272 0.00444 -0.00858 -0.02528 130 2S -0.12540 -0.14550 -0.01730 -0.02010 0.23403 131 2PX 0.00933 0.09562 0.16375 0.06146 -0.07815 132 2PY -0.24644 0.04689 0.05493 0.33695 -0.31945 133 2PZ 0.33542 0.38610 0.05380 0.02733 0.01522 134 3S 0.33039 0.51285 0.01934 -0.10215 -1.00026 135 3PX 0.05092 -0.20254 -0.29613 -0.19839 0.18650 136 3PY 0.35140 0.01329 -0.17879 -0.64580 0.75633 137 3PZ -0.39522 -1.03814 -0.28753 -0.19834 0.11164 138 4XX -0.00544 0.01700 0.02318 0.03489 0.03158 139 4YY 0.01431 -0.00217 -0.02674 -0.06351 -0.03133 140 4ZZ -0.00033 -0.02034 0.00268 0.00941 -0.00900 141 4XY -0.01813 -0.00334 0.01066 -0.00903 0.00517 142 4XZ -0.00126 -0.00806 0.00997 -0.01346 -0.02599 143 4YZ -0.00832 0.00062 0.00250 -0.04211 0.01763 144 14 C 1S 0.01476 -0.00271 0.00443 -0.00859 0.02528 145 2S -0.12543 0.14553 -0.01683 -0.01977 -0.23402 146 2PX 0.00946 -0.09608 0.16355 0.06151 0.07830 147 2PY 0.24619 0.04765 -0.05465 -0.33673 -0.31946 148 2PZ 0.33542 -0.38615 0.05294 0.02656 -0.01539 149 3S 0.33030 -0.51262 0.01762 -0.10330 1.00027 150 3PX 0.05089 0.20353 -0.29577 -0.19834 -0.18686 151 3PY -0.35151 0.01161 0.17842 0.64563 0.75636 152 3PZ -0.39520 1.03885 -0.28495 -0.19617 -0.11139 153 4XX -0.00546 -0.01709 0.02316 0.03486 -0.03156 154 4YY 0.01432 0.00232 -0.02675 -0.06353 0.03132 155 4ZZ -0.00033 0.02030 0.00272 0.00947 0.00900 156 4XY 0.01813 -0.00334 -0.01066 0.00904 0.00515 157 4XZ -0.00126 0.00810 0.00996 -0.01346 0.02602 158 4YZ 0.00832 0.00055 -0.00252 0.04209 0.01761 159 15 C 1S -0.04633 0.03202 0.00304 0.02867 -0.00125 160 2S 0.00222 0.03522 0.14761 -0.06688 0.05547 161 2PX 0.02251 -0.01847 -0.15844 -0.19098 -0.12215 162 2PY 0.11247 -0.11493 0.06936 0.08321 -0.01327 163 2PZ 0.00279 0.12831 0.05843 0.22830 0.47158 164 3S -0.11831 0.08140 -0.47091 -0.23589 -0.47034 165 3PX -0.30235 0.45238 0.09894 0.42944 0.18794 166 3PY -0.07604 0.24845 -0.41812 -0.77685 -0.26963 167 3PZ -0.12649 0.32264 -0.05010 -0.09655 -0.60610 168 4XX 0.02318 -0.01965 0.01648 0.03102 0.01819 169 4YY -0.03221 0.03853 0.02963 -0.03256 -0.01884 170 4ZZ -0.04532 0.03159 -0.02856 0.01869 0.00443 171 4XY 0.03577 -0.02174 -0.02099 -0.01420 -0.02066 172 4XZ -0.06397 0.05134 -0.02240 0.00532 -0.01099 173 4YZ -0.01034 0.03614 0.02636 0.01177 0.01811 174 16 H 1S 0.01119 -0.04075 0.20319 -0.23035 -0.06934 175 2S 0.00005 0.13951 0.08641 0.12284 0.16895 176 17 H 1S 0.01105 0.04072 0.20322 -0.23034 0.06948 177 2S 0.00032 -0.13989 0.08617 0.12256 -0.16895 178 18 H 1S -0.23795 -0.16244 0.10843 -0.05979 0.02507 179 2S 0.00843 -0.03202 -0.24801 -0.31259 0.05897 180 19 H 1S -0.01261 0.06799 0.15702 0.00616 -0.03306 181 2S -0.01749 0.01841 0.09282 0.12526 -0.13485 182 20 H 1S -0.01269 -0.06828 0.15683 0.00603 0.03315 183 2S -0.01766 -0.01866 0.09268 0.12503 0.13495 184 21 H 1S -0.23793 0.16230 0.10879 -0.05954 -0.02492 185 2S 0.00863 0.03294 -0.24788 -0.31251 -0.05905 186 22 H 1S 0.02452 0.02243 0.06172 0.03829 -0.04346 187 2S 0.03051 0.10380 0.07016 0.06545 -0.16983 188 23 H 1S 0.02458 -0.02264 0.06166 0.03827 0.04351 189 2S 0.03054 -0.10404 0.06977 0.06521 0.16973 81 82 83 84 85 V V V V V Eigenvalues -- 0.66309 0.67863 0.71283 0.72293 0.74094 1 1 C 1S 0.00159 0.01345 0.00636 -0.01662 -0.00627 2 2S -0.09432 -0.02712 -0.16153 -0.11922 -0.33761 3 2PX -0.29350 0.08911 0.01242 -0.09415 -0.31950 4 2PY -0.09445 -0.20686 0.16820 0.02570 -0.38111 5 2PZ 0.10987 0.05375 -0.22059 0.06938 -0.00958 6 3S 0.51558 0.34674 0.49817 0.50497 1.87015 7 3PX 0.68346 -0.25197 0.15922 0.02854 1.00571 8 3PY 0.32284 0.69172 -0.37797 -0.19787 1.04115 9 3PZ -0.05496 0.03164 0.45949 0.00719 0.60744 10 4XX -0.01614 -0.03512 0.03096 -0.02273 -0.01324 11 4YY 0.01974 0.03974 0.00459 -0.01106 0.05510 12 4ZZ 0.00311 0.00450 -0.03594 0.00305 -0.02733 13 4XY -0.00431 -0.00343 -0.03107 -0.02836 -0.01762 14 4XZ 0.00650 -0.00723 0.00862 -0.00055 0.00379 15 4YZ -0.00049 0.00722 0.00739 -0.00892 -0.00469 16 2 O 1S 0.00051 -0.00501 0.00675 0.00640 0.00806 17 2S 0.03357 0.00150 -0.02279 0.00869 0.04018 18 2PX -0.05319 0.09553 -0.18941 -0.02539 -0.09277 19 2PY 0.02605 -0.10264 0.10302 0.06967 0.07013 20 2PZ 0.00894 -0.10324 0.08246 0.01076 0.05265 21 3S -0.25045 0.25316 -0.28632 -0.18818 -0.61531 22 3PX 0.04279 -0.08567 0.22126 0.10749 0.24810 23 3PY -0.05044 0.05917 -0.07820 -0.06091 -0.16549 24 3PZ 0.06209 0.02944 0.03330 0.01418 0.09699 25 4XX 0.00801 0.02369 -0.04357 0.00606 0.00325 26 4YY 0.00428 -0.01189 -0.00049 -0.00065 -0.00727 27 4ZZ 0.00240 0.00408 0.00701 0.00571 0.02204 28 4XY 0.00576 0.00622 0.00990 0.00274 0.02693 29 4XZ -0.01986 0.01617 -0.02284 -0.00369 -0.03069 30 4YZ 0.02323 0.00583 0.00949 0.01711 0.04015 31 3 C 1S 0.00000 0.00000 -0.00782 -0.00062 -0.00001 32 2S -0.00001 -0.00008 -0.02791 0.03204 -0.00017 33 2PX 0.00000 0.00005 -0.14208 0.04271 0.00001 34 2PY -0.00691 -0.11718 -0.00005 0.00003 0.00317 35 2PZ 0.00000 -0.00009 0.19919 -0.00973 0.00000 36 3S 0.00003 0.00012 0.07490 -0.03202 0.00033 37 3PX 0.00001 -0.00009 0.55979 -0.11936 0.00016 38 3PY 0.02810 0.23173 0.00008 -0.00004 0.09580 39 3PZ 0.00005 0.00017 -0.30146 0.09417 0.00018 40 4XX 0.00000 0.00000 -0.01673 0.00899 -0.00001 41 4YY 0.00001 0.00000 0.00982 0.02204 -0.00004 42 4ZZ -0.00001 -0.00001 0.00294 -0.01697 0.00000 43 4XY 0.01311 -0.01827 -0.00001 0.00001 0.02575 44 4XZ 0.00001 0.00000 0.03375 0.01119 0.00002 45 4YZ 0.00173 -0.01544 0.00000 0.00001 0.01047 46 4 C 1S -0.00160 -0.01345 0.00635 -0.01661 0.00627 47 2S 0.09425 0.02704 -0.16152 -0.11921 0.33762 48 2PX 0.29344 -0.08912 0.01224 -0.09393 0.31907 49 2PY -0.09450 -0.20689 -0.16808 -0.02574 -0.38107 50 2PZ -0.10987 -0.05387 -0.22052 0.06929 0.00957 51 3S -0.51522 -0.34660 0.49840 0.50479 -1.86999 52 3PX -0.68338 0.25204 0.15964 0.02798 -1.00510 53 3PY 0.32309 0.69184 0.37789 0.19770 1.04120 54 3PZ 0.05505 -0.03147 0.45959 0.00728 -0.60712 55 4XX 0.01615 0.03512 0.03097 -0.02274 0.01324 56 4YY -0.01973 -0.03974 0.00460 -0.01106 -0.05511 57 4ZZ -0.00313 -0.00451 -0.03595 0.00307 0.02737 58 4XY -0.00430 -0.00343 0.03107 0.02836 -0.01759 59 4XZ -0.00650 0.00723 0.00864 -0.00056 -0.00374 60 4YZ -0.00047 0.00722 -0.00738 0.00892 -0.00480 61 5 H 1S -0.00005 0.00001 -0.08970 -0.09414 -0.00009 62 2S -0.00002 -0.00011 0.25220 0.00826 -0.00014 63 6 H 1S -0.00002 0.00001 -0.21828 -0.02972 -0.00011 64 2S 0.00000 0.00003 -0.28164 0.08685 -0.00013 65 7 O 1S -0.00051 0.00501 0.00676 0.00640 -0.00806 66 2S -0.03361 -0.00152 -0.02270 0.00865 -0.04027 67 2PX 0.05317 -0.09552 -0.18951 -0.02528 0.09256 68 2PY 0.02597 -0.10272 -0.10305 -0.06961 0.07019 69 2PZ -0.00894 0.10320 0.08253 0.01064 -0.05270 70 3S 0.25036 -0.25321 -0.28671 -0.18783 0.61521 71 3PX -0.04270 0.08569 0.22139 0.10734 -0.24789 72 3PY -0.05040 0.05920 0.07822 0.06086 -0.16546 73 3PZ -0.06206 -0.02944 0.03332 0.01418 -0.09692 74 4XX -0.00803 -0.02371 -0.04355 0.00606 -0.00330 75 4YY -0.00430 0.01188 -0.00046 -0.00066 0.00725 76 4ZZ -0.00240 -0.00409 0.00703 0.00569 -0.02206 77 4XY 0.00575 0.00622 -0.00989 -0.00274 0.02695 78 4XZ 0.01986 -0.01618 -0.02284 -0.00368 0.03064 79 4YZ 0.02322 0.00584 -0.00951 -0.01710 0.04016 80 8 H 1S -0.02611 -0.17401 0.04812 -0.06167 0.07861 81 2S -0.06712 -0.13581 0.01432 -0.06299 -0.39556 82 9 H 1S 0.02599 0.17395 0.04817 -0.06179 -0.07829 83 2S 0.06706 0.13577 0.01429 -0.06306 0.39528 84 10 C 1S -0.04388 0.04067 -0.02178 -0.00066 -0.02252 85 2S 0.18407 0.01595 -0.19133 0.03953 0.11332 86 2PX 0.42780 0.01922 -0.02953 -0.14881 -0.36927 87 2PY 0.24110 -0.19987 -0.18995 0.00901 0.10183 88 2PZ -0.16974 0.06718 0.12712 0.11316 0.23477 89 3S -0.68015 0.05631 -0.49777 0.33082 -0.36106 90 3PX -0.68457 -0.01970 -0.18008 0.43581 0.95747 91 3PY -0.61384 -0.00941 0.28717 -0.08004 -0.15861 92 3PZ 0.27652 -0.18076 -0.44504 -0.17994 -0.40945 93 4XX 0.01809 0.00021 -0.01717 -0.00206 0.00080 94 4YY -0.05571 0.03385 -0.03662 0.00923 -0.01787 95 4ZZ -0.00470 0.01634 -0.01255 0.00319 0.01677 96 4XY 0.00622 0.00961 0.05107 -0.03837 0.00902 97 4XZ -0.04063 0.04480 -0.05955 0.00282 -0.01298 98 4YZ 0.01271 0.00700 0.03755 -0.01357 0.00665 99 11 C 1S 0.04388 -0.04068 -0.02180 -0.00066 0.02247 100 2S -0.18412 -0.01602 -0.19125 0.03952 -0.11316 101 2PX -0.42792 -0.01925 -0.02955 -0.14847 0.36932 102 2PY 0.24122 -0.19976 0.19013 -0.00913 0.10215 103 2PZ 0.16985 -0.06715 0.12730 0.11291 -0.23441 104 3S 0.68026 -0.05597 -0.49764 0.33055 0.35980 105 3PX 0.68474 0.01983 -0.17953 0.43477 -0.95781 106 3PY -0.61406 -0.00952 -0.28695 0.08006 -0.15931 107 3PZ -0.27664 0.18086 -0.44488 -0.17983 0.40888 108 4XX -0.01811 -0.00021 -0.01721 -0.00203 -0.00083 109 4YY 0.05568 -0.03387 -0.03657 0.00920 0.01783 110 4ZZ 0.00473 -0.01634 -0.01255 0.00319 -0.01675 111 4XY 0.00625 0.00961 -0.05108 0.03838 0.00899 112 4XZ 0.04063 -0.04481 -0.05958 0.00283 0.01290 113 4YZ 0.01271 0.00702 -0.03756 0.01358 0.00661 114 12 C 1S -0.01596 -0.00038 0.01539 0.00177 0.01016 115 2S 0.13199 -0.19974 -0.31505 -0.15350 0.06539 116 2PX -0.20699 0.02793 0.22060 0.27924 -0.33051 117 2PY -0.09175 0.21999 0.38879 -0.10199 0.03092 118 2PZ -0.16109 0.02607 0.03771 -0.57861 0.07897 119 3S -0.52204 0.56572 0.75142 0.51812 0.17582 120 3PX -0.05437 -0.06068 -0.79422 -0.18666 0.62048 121 3PY 0.31369 -0.59577 -0.95232 0.28769 -0.04437 122 3PZ 0.20163 -0.12252 -0.14153 1.37121 -0.13479 123 4XX 0.03423 -0.01574 -0.00043 0.00462 -0.00737 124 4YY -0.02155 -0.01495 0.02482 -0.04484 -0.00825 125 4ZZ -0.01795 0.02117 -0.01898 0.02189 0.03448 126 4XY -0.01044 -0.01117 -0.00612 -0.01330 0.01581 127 4XZ -0.03371 -0.00779 0.01103 0.00163 0.00905 128 4YZ -0.02063 -0.02493 0.01128 -0.01103 -0.00451 129 13 C 1S -0.01275 -0.02764 0.00405 -0.02146 -0.00405 130 2S 0.06147 0.31582 -0.10741 0.11661 0.02068 131 2PX 0.07099 0.01415 -0.09412 -0.04722 0.06430 132 2PY -0.29713 -0.45346 -0.08286 0.29163 0.06659 133 2PZ 0.11985 -0.24330 -0.14121 -0.10988 -0.12048 134 3S -0.24959 -1.09496 0.30098 -0.91078 0.10662 135 3PX -0.11584 0.11567 0.30531 0.18961 -0.20501 136 3PY 0.62684 1.47117 0.38919 -0.66665 -0.24656 137 3PZ -0.33521 0.97894 0.40948 0.37642 0.37342 138 4XX 0.01801 0.00982 -0.02295 0.03434 -0.00571 139 4YY -0.02990 -0.03741 0.01019 -0.01433 0.00689 140 4ZZ 0.00502 0.02596 0.00647 -0.04538 -0.00187 141 4XY -0.00144 -0.00090 -0.01800 0.02753 0.00016 142 4XZ -0.00003 0.01833 -0.01212 -0.00582 0.00857 143 4YZ 0.00860 0.00199 0.06660 -0.00364 -0.00245 144 14 C 1S 0.01275 0.02763 0.00405 -0.02146 0.00409 145 2S -0.06148 -0.31581 -0.10738 0.11659 -0.02067 146 2PX -0.07091 -0.01410 -0.09440 -0.04713 -0.06431 147 2PY -0.29715 -0.45359 0.08288 -0.29160 0.06696 148 2PZ -0.11988 0.24320 -0.14118 -0.10987 0.12094 149 3S 0.24959 1.09489 0.30095 -0.91079 -0.10542 150 3PX 0.11572 -0.11601 0.30608 0.18939 0.20490 151 3PY 0.62690 1.47159 -0.38954 0.66665 -0.24722 152 3PZ 0.33520 -0.97860 0.40926 0.37643 -0.37484 153 4XX -0.01801 -0.00982 -0.02296 0.03436 0.00568 154 4YY 0.02989 0.03740 0.01022 -0.01434 -0.00686 155 4ZZ -0.00502 -0.02595 0.00646 -0.04540 0.00195 156 4XY -0.00145 -0.00093 0.01800 -0.02753 0.00018 157 4XZ 0.00004 -0.01834 -0.01213 -0.00582 -0.00854 158 4YZ 0.00863 0.00203 -0.06661 0.00366 -0.00234 159 15 C 1S 0.01596 0.00040 0.01539 0.00176 -0.01016 160 2S -0.13193 0.19973 -0.31508 -0.15356 -0.06502 161 2PX 0.20704 -0.02791 0.22035 0.27949 0.33113 162 2PY -0.09175 0.22002 -0.38877 0.10206 0.03108 163 2PZ 0.16104 -0.02598 0.03753 -0.57867 -0.07811 164 3S 0.52179 -0.56592 0.75197 0.51779 -0.17650 165 3PX 0.05433 0.06078 -0.79428 -0.18667 -0.62178 166 3PY 0.31342 -0.59610 0.95247 -0.28803 -0.04453 167 3PZ -0.20151 0.12249 -0.14148 1.37143 0.13260 168 4XX -0.03422 0.01575 -0.00044 0.00463 0.00741 169 4YY 0.02156 0.01496 0.02482 -0.04487 0.00828 170 4ZZ 0.01794 -0.02117 -0.01897 0.02187 -0.03449 171 4XY -0.01045 -0.01118 0.00615 0.01328 0.01575 172 4XZ 0.03370 0.00779 0.01102 0.00163 -0.00899 173 4YZ -0.02063 -0.02493 -0.01127 0.01102 -0.00454 174 16 H 1S -0.15106 0.17446 -0.03550 -0.04068 -0.03739 175 2S -0.04245 -0.24942 -0.17678 0.10224 0.11778 176 17 H 1S 0.15104 -0.17453 -0.03547 -0.04073 0.03704 177 2S 0.04252 0.24952 -0.17659 0.10202 -0.11771 178 18 H 1S -0.14274 -0.13515 0.05771 -0.09198 -0.02545 179 2S 0.00290 0.13453 0.31163 -0.05813 0.02084 180 19 H 1S -0.02427 -0.14081 -0.07604 0.01290 -0.05497 181 2S -0.07956 -0.35721 -0.19626 -0.08560 0.07321 182 20 H 1S 0.02429 0.14091 -0.07619 0.01305 0.05518 183 2S 0.07964 0.35713 -0.19643 -0.08554 -0.07301 184 21 H 1S 0.14273 0.13515 0.05764 -0.09197 0.02560 185 2S -0.00302 -0.13466 0.31159 -0.05812 -0.02095 186 22 H 1S -0.02150 -0.19720 0.07250 -0.18920 0.00234 187 2S -0.05708 -0.36648 -0.28895 0.09130 -0.09129 188 23 H 1S 0.02150 0.19709 0.07256 -0.18934 -0.00221 189 2S 0.05714 0.36661 -0.28893 0.09138 0.09176 86 87 88 89 90 V V V V V Eigenvalues -- 0.75190 0.77536 0.79575 0.79877 0.81071 1 1 C 1S 0.00558 0.01482 0.00121 0.00873 -0.00526 2 2S -0.00687 -0.01718 0.27398 -0.08442 0.14423 3 2PX 0.28068 0.13336 0.14395 0.02136 0.03756 4 2PY 0.05666 -0.10272 0.08570 -0.32554 -0.01260 5 2PZ -0.11529 -0.16819 0.21081 -0.30741 0.05119 6 3S -0.20840 -0.44542 -0.11585 0.86622 -0.18013 7 3PX -0.32936 -0.19919 -0.32639 0.36663 -0.11981 8 3PY -0.05230 0.51312 -0.27774 1.44323 0.02893 9 3PZ -0.00291 0.29672 -0.38717 0.97816 -0.01372 10 4XX 0.00317 0.00246 -0.01606 -0.01523 0.01443 11 4YY 0.00808 -0.02456 0.04108 0.05819 0.01680 12 4ZZ -0.02590 0.03922 -0.00116 -0.00833 -0.02626 13 4XY 0.01242 0.03728 -0.04760 -0.00417 -0.00168 14 4XZ -0.03422 0.04487 0.02649 -0.01004 0.01017 15 4YZ -0.04437 0.01521 -0.05743 -0.00395 -0.01678 16 2 O 1S -0.00228 -0.00474 0.01091 -0.00258 0.00369 17 2S 0.03334 -0.20396 -0.12849 -0.00836 -0.03433 18 2PX 0.11611 -0.16478 -0.11465 0.09439 0.05648 19 2PY 0.05494 -0.07714 0.16285 -0.01580 0.03956 20 2PZ 0.04619 -0.10420 -0.05922 -0.13502 -0.09407 21 3S 0.08683 0.47796 0.21398 -0.13050 0.07247 22 3PX -0.14051 -0.04386 0.13161 -0.04625 -0.14495 23 3PY -0.01073 0.00141 -0.14886 -0.08606 -0.04990 24 3PZ -0.08610 0.10601 0.00515 0.07982 0.17222 25 4XX 0.02038 -0.04572 0.02147 -0.00027 -0.03049 26 4YY -0.00070 -0.05649 -0.09101 -0.03295 -0.02241 27 4ZZ 0.01127 -0.08585 -0.03370 0.01156 0.03292 28 4XY 0.01729 -0.00915 0.03644 0.03034 -0.03028 29 4XZ 0.02290 -0.01172 0.05257 -0.01331 0.01922 30 4YZ -0.00359 -0.03768 0.00777 0.00411 0.03297 31 3 C 1S 0.01846 -0.04871 -0.04322 -0.00002 -0.00669 32 2S 0.14077 -0.18597 0.30349 0.00009 0.08016 33 2PX -0.00283 -0.23807 0.30686 0.00009 -0.52058 34 2PY 0.00001 -0.00003 0.00002 -0.03512 -0.00007 35 2PZ -0.03257 0.29845 -0.13186 -0.00003 0.54413 36 3S -0.29019 0.54551 -0.33298 -0.00009 -0.08121 37 3PX -0.17797 1.11618 -0.90250 -0.00013 0.97897 38 3PY 0.00008 0.00007 -0.00001 0.07328 0.00017 39 3PZ -0.18596 -0.59063 0.07613 0.00001 -1.15787 40 4XX -0.00502 -0.09614 -0.12722 -0.00006 0.12256 41 4YY 0.04204 -0.04459 0.11339 0.00002 0.02799 42 4ZZ 0.01958 0.04281 0.01560 0.00003 -0.14222 43 4XY 0.00002 0.00000 0.00000 0.00191 0.00001 44 4XZ -0.01850 0.03492 -0.02842 0.00000 -0.01310 45 4YZ 0.00001 -0.00002 0.00002 -0.00208 0.00003 46 4 C 1S 0.00559 0.01482 0.00122 -0.00874 -0.00525 47 2S -0.00618 -0.01725 0.27395 0.08450 0.14434 48 2PX 0.28120 0.13349 0.14392 -0.02134 0.03745 49 2PY -0.05745 0.10272 -0.08549 -0.32559 0.01263 50 2PZ -0.11518 -0.16834 0.21067 0.30755 0.05147 51 3S -0.21223 -0.44551 -0.11533 -0.86617 -0.18057 52 3PX -0.33120 -0.19953 -0.32602 -0.36694 -0.11963 53 3PY 0.05472 -0.51317 0.27688 1.44342 -0.02873 54 3PZ -0.00437 0.29690 -0.38671 -0.97818 -0.01470 55 4XX 0.00320 0.00245 -0.01606 0.01516 0.01445 56 4YY 0.00795 -0.02456 0.04110 -0.05818 0.01680 57 4ZZ -0.02583 0.03922 -0.00115 0.00839 -0.02627 58 4XY -0.01245 -0.03729 0.04760 -0.00416 0.00168 59 4XZ -0.03422 0.04485 0.02649 0.01007 0.01017 60 4YZ 0.04436 -0.01523 0.05744 -0.00393 0.01679 61 5 H 1S 0.17108 -0.09010 -0.07286 0.00003 -0.56965 62 2S 0.10702 0.21431 -0.18143 -0.00011 1.38320 63 6 H 1S 0.10117 -0.57526 -0.60240 -0.00031 0.47701 64 2S 0.15674 -0.46903 1.17526 0.00038 -1.23457 65 7 O 1S -0.00229 -0.00474 0.01091 0.00258 0.00368 66 2S 0.03322 -0.20404 -0.12845 0.00826 -0.03425 67 2PX 0.11628 -0.16468 -0.11464 -0.09445 0.05639 68 2PY -0.05486 0.07713 -0.16280 -0.01585 -0.03949 69 2PZ 0.04609 -0.10427 -0.05928 0.13493 -0.09397 70 3S 0.08807 0.47817 0.21382 0.13082 0.07254 71 3PX -0.14097 -0.04397 0.13160 0.04625 -0.14502 72 3PY 0.01044 -0.00143 0.14890 -0.08605 0.04979 73 3PZ -0.08625 0.10602 0.00521 -0.07978 0.17219 74 4XX 0.02036 -0.04575 0.02148 0.00031 -0.03047 75 4YY -0.00069 -0.05653 -0.09101 0.03290 -0.02238 76 4ZZ 0.01121 -0.08587 -0.03367 -0.01162 0.03293 77 4XY -0.01724 0.00915 -0.03646 0.03031 0.03029 78 4XZ 0.02295 -0.01173 0.05256 0.01334 0.01925 79 4YZ 0.00366 0.03769 -0.00779 0.00412 -0.03299 80 8 H 1S -0.17328 0.27523 -0.17707 0.01101 -0.05899 81 2S 0.20527 0.17701 -0.06785 -0.86379 0.13304 82 9 H 1S -0.17342 0.27520 -0.17704 -0.01099 -0.05894 83 2S 0.20627 0.17692 -0.06835 0.86368 0.13345 84 10 C 1S 0.02613 0.00436 0.01006 0.00283 0.00895 85 2S -0.18308 -0.00525 0.02149 0.10202 -0.01142 86 2PX 0.00019 -0.01295 0.15212 0.00882 0.07114 87 2PY 0.17763 0.09363 0.07390 0.41302 0.05484 88 2PZ -0.20890 -0.05864 -0.01439 -0.05193 0.00640 89 3S 0.63211 0.79569 -0.00442 -1.19647 0.04478 90 3PX 0.02083 0.23350 -0.20456 -0.73914 -0.09420 91 3PY -0.45094 -0.33660 -0.08795 -0.93629 -0.05504 92 3PZ 0.28684 0.28229 -0.06394 -0.46142 -0.08851 93 4XX 0.01614 0.00729 0.01225 0.02296 -0.00284 94 4YY 0.00607 0.01566 -0.00025 -0.05607 -0.00167 95 4ZZ -0.01692 -0.00736 -0.00272 0.02454 0.01070 96 4XY 0.00136 -0.03610 0.02547 -0.00661 0.01308 97 4XZ 0.03202 0.01441 0.02363 0.01563 0.01707 98 4YZ -0.01577 -0.05231 0.02053 -0.01730 0.01245 99 11 C 1S 0.02618 0.00436 0.01006 -0.00283 0.00896 100 2S -0.18334 -0.00526 0.02157 -0.10189 -0.01145 101 2PX 0.00073 -0.01305 0.15218 -0.00867 0.07133 102 2PY -0.17731 -0.09396 -0.07415 0.41291 -0.05469 103 2PZ -0.20927 -0.05870 -0.01442 0.05199 0.00637 104 3S 0.63318 0.79542 -0.00586 1.19759 0.04420 105 3PX 0.01954 0.23337 -0.20552 0.73941 -0.09519 106 3PY 0.45050 0.33690 0.08877 -0.93602 0.05489 107 3PZ 0.28772 0.28191 -0.06446 0.46146 -0.08853 108 4XX 0.01613 0.00733 0.01225 -0.02297 -0.00286 109 4YY 0.00611 0.01560 -0.00027 0.05610 -0.00165 110 4ZZ -0.01695 -0.00734 -0.00271 -0.02453 0.01068 111 4XY -0.00135 0.03612 -0.02547 -0.00654 -0.01309 112 4XZ 0.03204 0.01444 0.02362 -0.01563 0.01706 113 4YZ 0.01577 0.05233 -0.02053 -0.01721 -0.01247 114 12 C 1S -0.00364 0.00521 -0.00442 0.01244 -0.00370 115 2S -0.17605 0.08618 0.11676 -0.14765 -0.00286 116 2PX -0.41659 -0.21914 0.10491 0.33540 0.05448 117 2PY 0.22960 -0.15285 -0.07227 -0.01597 -0.06698 118 2PZ -0.27846 -0.08743 -0.02434 -0.12360 -0.05952 119 3S 0.19699 -0.49447 0.00120 -0.06486 0.16006 120 3PX 0.69292 0.69063 -0.20519 -0.06773 -0.08303 121 3PY -0.47356 0.59488 -0.02777 0.41784 0.08682 122 3PZ 0.77536 0.49102 0.10533 0.62931 0.13102 123 4XX -0.02388 0.01241 -0.01283 -0.01375 0.00264 124 4YY -0.00046 -0.00932 0.02461 -0.03471 0.00566 125 4ZZ -0.00085 -0.00541 -0.00010 0.03135 -0.01209 126 4XY -0.03312 -0.02533 0.01055 0.02773 -0.00225 127 4XZ -0.03610 0.00902 0.00064 -0.01365 0.00640 128 4YZ -0.01606 -0.00938 0.00112 0.00120 0.00265 129 13 C 1S -0.01431 -0.00145 0.01023 -0.00337 0.00161 130 2S -0.07856 -0.05337 0.08782 0.05474 0.13053 131 2PX 0.00167 0.01244 -0.00145 0.02156 0.23558 132 2PY 0.08167 0.14045 -0.03166 0.15132 0.02862 133 2PZ -0.19757 -0.00084 0.01154 -0.04063 -0.00141 134 3S -0.21564 -0.31082 -0.24854 0.06142 -0.33476 135 3PX 0.06467 -0.22113 0.12724 -0.26926 -0.25736 136 3PY -0.03288 -0.42757 -0.07755 -0.90992 -0.14189 137 3PZ 0.71017 0.01481 -0.13315 0.16198 -0.05259 138 4XX -0.00972 0.01233 0.01485 0.03260 -0.00050 139 4YY -0.00113 -0.03899 -0.00646 0.01820 0.00513 140 4ZZ -0.02405 0.00856 0.01127 -0.04476 0.01805 141 4XY -0.00159 0.01419 -0.05776 0.01104 -0.06494 142 4XZ -0.01087 -0.03289 -0.02161 0.05816 -0.03926 143 4YZ 0.06527 -0.02028 0.01701 -0.00415 0.01556 144 14 C 1S -0.01430 -0.00144 0.01022 0.00339 0.00161 145 2S -0.07861 -0.05340 0.08784 -0.05455 0.13041 146 2PX 0.00133 0.01266 -0.00150 -0.02171 0.23520 147 2PY -0.08152 -0.14037 0.03147 0.15115 -0.02891 148 2PZ -0.19743 -0.00079 0.01144 0.04071 -0.00168 149 3S -0.21590 -0.31078 -0.24811 -0.06280 -0.33425 150 3PX 0.06578 -0.22202 0.12714 0.26954 -0.25608 151 3PY 0.03211 0.42745 0.07866 -0.90883 0.14334 152 3PZ 0.70960 0.01467 -0.13315 -0.16241 -0.05172 153 4XX -0.00972 0.01234 0.01485 -0.03257 -0.00054 154 4YY -0.00112 -0.03900 -0.00643 -0.01825 0.00517 155 4ZZ -0.02406 0.00857 0.01124 0.04479 0.01804 156 4XY 0.00158 -0.01418 0.05776 0.01106 0.06494 157 4XZ -0.01092 -0.03286 -0.02157 -0.05818 -0.03927 158 4YZ -0.06528 0.02027 -0.01703 -0.00414 -0.01560 159 15 C 1S -0.00366 0.00522 -0.00440 -0.01244 -0.00369 160 2S -0.17622 0.08622 0.11659 0.14786 -0.00305 161 2PX -0.41615 -0.21892 0.10516 -0.33524 0.05454 162 2PY -0.22943 0.15288 0.07241 -0.01548 0.06710 163 2PZ -0.27860 -0.08719 -0.02457 0.12331 -0.05987 164 3S 0.19708 -0.49507 0.00090 0.06454 0.16048 165 3PX 0.69183 0.69076 -0.20520 0.06814 -0.08321 166 3PY 0.47340 -0.59515 0.02678 0.41679 -0.08746 167 3PZ 0.77553 0.49047 0.10612 -0.62773 0.13246 168 4XX -0.02386 0.01242 -0.01284 0.01379 0.00265 169 4YY -0.00045 -0.00932 0.02459 0.03468 0.00566 170 4ZZ -0.00091 -0.00542 -0.00008 -0.03136 -0.01211 171 4XY 0.03317 0.02528 -0.01054 0.02774 0.00230 172 4XZ -0.03610 0.00903 0.00062 0.01366 0.00640 173 4YZ 0.01606 0.00937 -0.00111 0.00123 -0.00262 174 16 H 1S 0.18822 -0.11637 0.15093 -0.07373 0.09843 175 2S -0.12490 0.15317 -0.24592 -0.49959 -0.18175 176 17 H 1S 0.18831 -0.11644 0.15088 0.07353 0.09846 177 2S -0.12504 0.15292 -0.24641 0.49978 -0.18196 178 18 H 1S -0.07064 -0.02065 0.08793 0.06264 0.03393 179 2S 0.19749 -0.22025 -0.03792 -0.13064 -0.09548 180 19 H 1S -0.13401 -0.00818 -0.02907 0.24528 -0.17431 181 2S -0.19833 0.24903 0.11650 0.14626 0.40923 182 20 H 1S -0.13396 -0.00801 -0.02889 -0.24510 -0.17431 183 2S -0.19867 0.24942 0.11655 -0.14613 0.40866 184 21 H 1S -0.07054 -0.02052 0.08798 -0.06259 0.03394 185 2S 0.19745 -0.22027 -0.03837 0.13011 -0.09582 186 22 H 1S -0.04970 0.00852 0.28235 -0.21539 0.26241 187 2S -0.31919 -0.06021 -0.05687 0.23127 -0.26267 188 23 H 1S -0.04961 0.00843 0.28222 0.21569 0.26242 189 2S -0.31906 -0.06026 -0.05662 -0.23106 -0.26237 91 92 93 94 95 V V V V V Eigenvalues -- 0.82847 0.84211 0.85443 0.86451 0.88061 1 1 C 1S -0.00555 0.01307 -0.00609 -0.01816 -0.01110 2 2S 0.01052 -0.08951 0.07034 0.16395 0.50887 3 2PX 0.16007 0.04960 -0.02524 -0.00038 -0.05708 4 2PY 0.21290 0.00315 -0.25657 -0.16925 -0.25841 5 2PZ -0.22364 0.06590 -0.29153 -0.28242 -0.26215 6 3S -0.49653 0.22650 0.51345 0.15070 -1.11508 7 3PX -0.46905 -0.01285 0.26983 0.03931 0.20852 8 3PY -0.67141 -0.03880 1.14464 0.74909 0.63951 9 3PZ 0.70239 -0.10983 1.05203 0.96437 0.66025 10 4XX -0.00823 0.04416 0.01359 0.03292 0.03620 11 4YY -0.03562 -0.02123 0.04281 0.02818 0.02243 12 4ZZ 0.02532 0.01328 -0.01394 -0.03297 0.01204 13 4XY -0.00247 -0.00437 -0.00558 -0.00750 -0.06121 14 4XZ 0.00360 0.06527 -0.00796 -0.00125 -0.00483 15 4YZ 0.01166 0.03942 -0.01747 -0.02246 -0.06394 16 2 O 1S 0.00235 0.00789 0.00258 0.00554 0.01246 17 2S -0.06270 -0.25677 0.07327 0.04128 0.02686 18 2PX 0.06075 -0.11460 -0.02359 -0.03453 -0.04237 19 2PY 0.03998 0.16505 -0.01476 0.06038 0.12147 20 2PZ -0.06618 -0.17192 0.01514 0.05713 0.02551 21 3S 0.00321 0.07243 -0.34710 -0.21157 -0.26348 22 3PX 0.04184 0.21801 0.09165 0.12894 0.10916 23 3PY -0.00206 -0.33391 -0.07960 -0.14754 -0.35106 24 3PZ -0.01085 0.08121 -0.06615 -0.10996 -0.06767 25 4XX -0.02109 -0.09697 0.02556 -0.00551 0.02676 26 4YY -0.00186 -0.08518 0.00194 0.01519 -0.03010 27 4ZZ -0.02921 -0.06050 0.03117 0.02675 0.02922 28 4XY -0.00178 -0.04625 0.02086 0.02518 0.00423 29 4XZ -0.01736 -0.02516 0.00442 0.02156 0.01476 30 4YZ -0.00597 -0.01658 0.00429 0.00000 0.01255 31 3 C 1S 0.00000 -0.03048 0.00000 0.00000 0.01446 32 2S 0.00012 -0.59696 0.00008 0.00013 -0.09437 33 2PX 0.00015 0.17545 0.00010 -0.00011 -0.01067 34 2PY 0.01727 0.00003 0.01735 -0.05022 -0.00004 35 2PZ -0.00010 -0.18820 -0.00003 0.00013 -0.08004 36 3S -0.00039 1.37955 -0.00025 -0.00029 0.36090 37 3PX 0.00003 -0.66896 -0.00017 0.00035 -0.14464 38 3PY -0.02806 -0.00009 -0.07675 0.08532 0.00014 39 3PZ 0.00038 0.38110 0.00020 -0.00029 -0.06943 40 4XX -0.00007 0.03394 0.00000 -0.00001 0.00607 41 4YY -0.00004 -0.03073 -0.00001 0.00001 0.02722 42 4ZZ 0.00010 -0.08760 0.00001 0.00000 -0.00014 43 4XY -0.00196 0.00000 -0.00514 0.02282 0.00002 44 4XZ 0.00003 0.00033 0.00001 -0.00001 -0.04137 45 4YZ 0.01319 0.00002 0.00650 0.01570 0.00000 46 4 C 1S 0.00555 0.01307 0.00609 0.01816 -0.01109 47 2S -0.01076 -0.08961 -0.07053 -0.16374 0.50892 48 2PX -0.16019 0.04948 0.02514 0.00046 -0.05706 49 2PY 0.21290 -0.00318 -0.25667 -0.16923 0.25846 50 2PZ 0.22357 0.06624 0.29154 0.28220 -0.26230 51 3S 0.49642 0.22684 -0.51303 -0.15134 -1.11550 52 3PX 0.46921 -0.01254 -0.26967 -0.03934 0.20847 53 3PY -0.67157 0.03895 1.14501 0.74904 -0.63957 54 3PZ -0.70248 -0.11079 -1.05191 -0.96393 0.66058 55 4XX 0.00817 0.04416 -0.01360 -0.03289 0.03620 56 4YY 0.03559 -0.02121 -0.04282 -0.02816 0.02241 57 4ZZ -0.02527 0.01326 0.01393 0.03294 0.01207 58 4XY -0.00255 0.00435 -0.00560 -0.00749 0.06121 59 4XZ -0.00363 0.06527 0.00795 0.00120 -0.00483 60 4YZ 0.01168 -0.03943 -0.01751 -0.02243 0.06396 61 5 H 1S 0.00027 -0.26634 0.00001 -0.00004 0.15205 62 2S -0.00045 -0.39453 -0.00011 0.00032 -0.15712 63 6 H 1S -0.00030 0.03580 -0.00006 -0.00002 0.07717 64 2S 0.00046 -0.04225 0.00024 -0.00017 -0.07137 65 7 O 1S -0.00237 0.00789 -0.00258 -0.00554 0.01245 66 2S 0.06285 -0.25676 -0.07321 -0.04116 0.02687 67 2PX -0.06070 -0.11463 0.02357 0.03452 -0.04241 68 2PY 0.04029 -0.16496 -0.01466 0.06050 -0.12144 69 2PZ 0.06631 -0.17193 -0.01510 -0.05704 0.02555 70 3S -0.00301 0.07251 0.34702 0.21154 -0.26359 71 3PX -0.04199 0.21798 -0.09157 -0.12902 0.10918 72 3PY -0.00253 0.33381 -0.07977 -0.14772 0.35099 73 3PZ 0.01071 0.08138 0.06611 0.10989 -0.06773 74 4XX 0.02117 -0.09697 -0.02555 0.00555 0.02677 75 4YY 0.00195 -0.08519 -0.00190 -0.01517 -0.03011 76 4ZZ 0.02917 -0.06048 -0.03116 -0.02669 0.02921 77 4XY -0.00182 0.04626 0.02085 0.02517 -0.00423 78 4XZ 0.01733 -0.02514 -0.00443 -0.02153 0.01475 79 4YZ -0.00593 0.01656 0.00430 -0.00001 -0.01256 80 8 H 1S -0.08084 0.10603 0.17418 0.29640 -0.25886 81 2S -0.10136 -0.29805 -1.03432 -1.00988 1.13665 82 9 H 1S 0.08099 0.10596 -0.17411 -0.29657 -0.25878 83 2S 0.10132 -0.29741 1.03403 1.01045 1.13634 84 10 C 1S -0.01252 0.00742 -0.02295 0.00879 -0.01514 85 2S 0.12984 -0.05234 0.05660 -0.18440 0.32583 86 2PX -0.04680 -0.08927 -0.20736 0.12076 -0.21630 87 2PY 0.15766 -0.05212 -0.41076 -0.00770 -0.21219 88 2PZ 0.15122 -0.08410 -0.50879 0.14715 -0.32004 89 3S -0.51781 -0.45138 1.39794 0.44316 -0.68933 90 3PX 0.14545 0.06088 1.00495 -0.16220 0.50449 91 3PY -0.33221 0.38291 1.91071 -0.43868 0.43489 92 3PZ -0.87717 0.24456 1.78140 -0.55190 0.66211 93 4XX 0.01216 0.01700 -0.00080 -0.01958 0.00475 94 4YY -0.01565 -0.02276 0.07392 -0.00895 0.02094 95 4ZZ -0.00368 -0.00331 -0.02506 -0.00453 0.02014 96 4XY -0.00728 -0.01076 -0.02289 0.00063 -0.06037 97 4XZ -0.01642 0.01266 -0.02858 -0.00399 -0.02715 98 4YZ -0.01609 0.04152 -0.02384 0.00128 -0.04447 99 11 C 1S 0.01250 0.00743 0.02295 -0.00877 -0.01513 100 2S -0.12975 -0.05242 -0.05664 0.18457 0.32587 101 2PX 0.04664 -0.08922 0.20724 -0.12040 -0.21601 102 2PY 0.15777 0.05245 -0.41086 -0.00787 0.21228 103 2PZ -0.15137 -0.08413 0.50876 -0.14666 -0.31979 104 3S 0.51879 -0.45056 -1.39792 -0.44343 -0.68990 105 3PX -0.14465 0.06100 -1.00453 0.16102 0.50328 106 3PY -0.33231 -0.38384 1.91110 -0.43819 -0.43541 107 3PZ 0.87793 0.24538 -1.78116 0.55066 0.66118 108 4XX -0.01217 0.01699 0.00078 0.01960 0.00477 109 4YY 0.01566 -0.02272 -0.07392 0.00900 0.02090 110 4ZZ 0.00371 -0.00332 0.02507 0.00447 0.02015 111 4XY -0.00720 0.01073 -0.02290 0.00054 0.06034 112 4XZ 0.01640 0.01267 0.02857 0.00402 -0.02712 113 4YZ -0.01600 -0.04156 -0.02387 0.00123 0.04445 114 12 C 1S -0.00195 0.00722 0.00749 -0.00085 0.00291 115 2S 0.10203 0.10683 -0.08921 0.16353 0.10408 116 2PX -0.12940 -0.06485 0.00978 -0.08900 0.07352 117 2PY -0.17582 0.05011 -0.00851 -0.09074 -0.05742 118 2PZ 0.30204 0.03934 -0.01406 0.21702 -0.02441 119 3S -1.31994 -0.35553 0.73770 -0.80227 -0.42129 120 3PX 0.67171 -0.13439 -0.15286 -0.31725 0.01931 121 3PY 0.65146 -0.02264 -0.58086 0.31006 0.33039 122 3PZ -1.45811 -0.65575 0.10351 -0.98678 -0.13602 123 4XX -0.02343 -0.03791 -0.02421 -0.01859 -0.00874 124 4YY 0.02315 0.00522 0.06657 0.02637 0.01667 125 4ZZ -0.02705 0.05429 -0.03688 0.00014 -0.00777 126 4XY 0.02865 0.01261 0.03636 0.01204 -0.01118 127 4XZ -0.02592 -0.01194 0.00299 -0.00971 0.01888 128 4YZ 0.00488 0.00139 0.02490 -0.01340 -0.01343 129 13 C 1S 0.00423 -0.02741 -0.01106 -0.00277 0.00149 130 2S -0.03674 0.15838 0.09051 0.01932 -0.21347 131 2PX 0.44410 0.14802 0.10360 -0.52818 0.14469 132 2PY -0.27025 0.00843 -0.08191 -0.16918 -0.08286 133 2PZ 0.19329 -0.03831 0.05199 0.28769 -0.07677 134 3S 0.28399 0.53426 -0.55436 0.23663 0.68678 135 3PX -1.76147 -0.16831 -0.19832 1.46100 -0.22991 136 3PY 1.12552 0.41227 0.23537 0.90732 0.27332 137 3PZ -1.14770 0.00207 -0.22336 -1.25968 0.15437 138 4XX 0.01212 -0.05665 -0.00739 0.00071 -0.03144 139 4YY -0.02303 0.07265 -0.00058 -0.01251 -0.01316 140 4ZZ 0.01968 0.00385 -0.00272 0.01608 0.02265 141 4XY -0.00126 -0.00803 -0.00340 0.01746 -0.00909 142 4XZ 0.03416 0.05677 -0.02079 0.05666 0.00052 143 4YZ -0.00517 -0.03142 0.00385 -0.00884 0.02758 144 14 C 1S -0.00422 -0.02740 0.01106 0.00279 0.00149 145 2S 0.03648 0.15845 -0.09063 -0.01917 -0.21341 146 2PX -0.44441 0.14802 -0.10354 0.52774 0.14527 147 2PY -0.27030 -0.00860 -0.08190 -0.16904 0.08272 148 2PZ -0.19325 -0.03857 -0.05201 -0.28772 -0.07694 149 3S -0.28382 0.53360 0.55461 -0.23757 0.68657 150 3PX 1.76179 -0.16773 0.19818 -1.46035 -0.23124 151 3PY 1.12583 -0.41159 0.23533 0.90695 -0.27248 152 3PZ 1.14753 0.00329 0.22338 1.26027 0.15502 153 4XX -0.01209 -0.05664 0.00740 -0.00067 -0.03147 154 4YY 0.02296 0.07265 0.00056 0.01254 -0.01313 155 4ZZ -0.01968 0.00383 0.00270 -0.01611 0.02265 156 4XY -0.00130 0.00802 -0.00340 0.01740 0.00912 157 4XZ -0.03415 0.05671 0.02078 -0.05666 0.00047 158 4YZ -0.00513 0.03144 0.00385 -0.00880 -0.02759 159 15 C 1S 0.00196 0.00720 -0.00750 0.00083 0.00289 160 2S -0.10215 0.10686 0.08911 -0.16348 0.10428 161 2PX 0.12917 -0.06498 -0.00978 0.08900 0.07352 162 2PY -0.17530 -0.05040 -0.00846 -0.09117 0.05722 163 2PZ -0.30212 0.03904 0.01407 -0.21696 -0.02462 164 3S 1.31958 -0.35447 -0.73754 0.80299 -0.42232 165 3PX -0.67038 -0.13457 0.15278 0.31720 0.01990 166 3PY 0.64951 0.02392 -0.58107 0.31160 -0.33015 167 3PZ 1.45881 -0.65443 -0.10368 0.98683 -0.13511 168 4XX 0.02345 -0.03785 0.02422 0.01863 -0.00870 169 4YY -0.02319 0.00517 -0.06660 -0.02641 0.01660 170 4ZZ 0.02702 0.05430 0.03689 -0.00012 -0.00774 171 4XY 0.02866 -0.01254 0.03633 0.01202 0.01122 172 4XZ 0.02592 -0.01191 -0.00299 0.00973 0.01889 173 4YZ 0.00490 -0.00140 0.02488 -0.01347 0.01345 174 16 H 1S -0.02218 0.18746 -0.33068 0.12671 -0.30974 175 2S -0.20950 0.14391 1.68737 -0.55084 1.02910 176 17 H 1S 0.02180 0.18751 0.33066 -0.12643 -0.30961 177 2S 0.21040 0.14434 -1.68735 0.54958 1.02844 178 18 H 1S 0.12862 -0.00636 0.09358 0.03776 0.09076 179 2S -0.41221 0.07162 -0.04038 -0.16054 -0.21925 180 19 H 1S 0.04829 -0.26717 -0.07577 0.13761 -0.10311 181 2S 0.75538 -0.00785 0.29972 -0.96016 0.01207 182 20 H 1S -0.04811 -0.26730 0.07572 -0.13717 -0.10344 183 2S -0.75567 -0.00807 -0.29966 0.95981 0.01331 184 21 H 1S -0.12853 -0.00666 -0.09361 -0.03805 0.09054 185 2S 0.41117 0.07244 0.04022 0.16180 -0.21865 186 22 H 1S 0.04176 -0.34989 0.07776 -0.18915 0.05081 187 2S -0.37835 0.12338 -0.04883 1.11176 -0.40891 188 23 H 1S -0.04178 -0.34969 -0.07770 0.18897 0.05110 189 2S 0.37847 0.12304 0.04865 -1.11115 -0.40982 96 97 98 99 100 V V V V V Eigenvalues -- 0.88445 0.88520 0.88709 0.89806 0.91385 1 1 C 1S 0.00211 0.00506 -0.00752 0.00499 0.00010 2 2S -0.38766 0.07627 0.25000 -0.04359 -0.02164 3 2PX -0.07892 -0.03305 0.00769 0.06986 0.09929 4 2PY 0.17740 -0.06333 -0.09102 0.09665 0.06935 5 2PZ 0.28377 0.02763 -0.37509 -0.00123 0.07426 6 3S 0.95866 -0.38882 -0.66129 0.07885 0.08789 7 3PX 0.02937 0.06413 0.00026 -0.17656 -0.23623 8 3PY -0.45129 -0.18946 0.25417 -0.22459 -0.08141 9 3PZ -0.50460 -0.13182 1.04747 -0.11537 -0.15129 10 4XX -0.02985 0.00407 0.03130 -0.00711 -0.01457 11 4YY -0.01578 0.00185 0.01785 0.01745 0.00753 12 4ZZ -0.01386 -0.00122 -0.01030 -0.02253 0.00087 13 4XY 0.04684 -0.00532 -0.00207 0.00816 0.01544 14 4XZ 0.02056 -0.00469 -0.01018 -0.02421 0.03473 15 4YZ 0.06421 0.00597 -0.02101 -0.02717 -0.00865 16 2 O 1S -0.00681 -0.00105 0.00073 -0.00210 -0.00073 17 2S 0.00079 0.05291 0.03019 0.01561 -0.14977 18 2PX 0.03399 0.01091 -0.04325 0.03431 0.00866 19 2PY -0.08501 -0.05195 0.00106 -0.07889 0.21777 20 2PZ -0.00067 -0.01235 0.07994 0.00878 0.02336 21 3S 0.09169 -0.03731 -0.20304 0.10005 0.12759 22 3PX 0.00612 -0.02929 0.07830 -0.10978 -0.15100 23 3PY 0.22977 0.09328 -0.01149 0.19053 -0.31807 24 3PZ 0.02308 0.02438 -0.18136 0.02387 -0.09458 25 4XX -0.01652 0.00948 0.01002 0.01981 -0.04626 26 4YY 0.04378 0.01090 -0.00334 -0.01389 -0.03787 27 4ZZ -0.02393 0.02896 0.01240 0.02531 -0.07807 28 4XY -0.00011 -0.00688 0.01239 0.01127 -0.02716 29 4XZ -0.01938 0.00897 0.00562 0.01336 -0.01234 30 4YZ -0.01469 0.00482 0.00057 0.02857 -0.02711 31 3 C 1S -0.00138 -0.00002 0.00001 -0.01681 0.00577 32 2S 0.11503 0.00193 -0.00003 0.34436 -0.95893 33 2PX 0.15848 0.00255 0.00019 -0.02499 -0.45038 34 2PY -0.00032 0.01365 0.05815 0.00000 -0.00002 35 2PZ -0.09563 -0.00156 -0.00022 0.31330 -0.25012 36 3S -0.37855 -0.00628 0.00004 -0.90179 2.60471 37 3PX -0.29841 -0.00491 -0.00056 0.21148 0.67199 38 3PY 0.00015 0.00325 -0.18115 -0.00008 0.00013 39 3PZ 0.50210 0.00819 0.00060 -0.63958 0.15567 40 4XX 0.00014 0.00002 0.00001 0.01002 -0.01700 41 4YY -0.02862 -0.00045 -0.00003 0.05320 -0.06144 42 4ZZ 0.02660 0.00042 0.00004 -0.06110 0.01459 43 4XY -0.00001 0.00197 -0.01273 -0.00001 0.00002 44 4XZ 0.04069 0.00067 0.00002 0.00321 -0.00552 45 4YZ 0.00029 -0.01886 0.01640 0.00002 -0.00001 46 4 C 1S 0.00228 -0.00498 0.00751 0.00498 0.00012 47 2S -0.38449 -0.08916 -0.25022 -0.04360 -0.02178 48 2PX -0.07990 0.03046 -0.00796 0.06993 0.09926 49 2PY -0.17529 -0.06936 -0.09114 -0.09683 -0.06929 50 2PZ 0.28384 -0.01802 0.37536 -0.00120 0.07431 51 3S 0.94335 0.42085 0.66200 0.07888 0.08810 52 3PX 0.03145 -0.06326 0.00014 -0.17656 -0.23618 53 3PY 0.45776 -0.17398 0.25454 0.22501 0.08133 54 3PZ -0.50679 0.11461 -1.04772 -0.11509 -0.15170 55 4XX -0.02967 -0.00508 -0.03131 -0.00712 -0.01460 56 4YY -0.01568 -0.00236 -0.01786 0.01742 0.00753 57 4ZZ -0.01388 0.00074 0.01029 -0.02249 0.00088 58 4XY -0.04664 -0.00687 -0.00209 -0.00815 -0.01544 59 4XZ 0.02037 0.00538 0.01022 -0.02419 0.03470 60 4YZ -0.06436 0.00383 -0.02110 0.02715 0.00866 61 5 H 1S -0.00474 -0.00012 0.00014 -0.39980 0.39562 62 2S -0.32187 -0.00517 -0.00062 1.09911 -0.93601 63 6 H 1S -0.05163 -0.00074 0.00004 -0.12112 0.34701 64 2S 0.41065 0.00668 0.00041 0.03809 -1.26437 65 7 O 1S -0.00684 0.00083 -0.00073 -0.00209 -0.00073 66 2S 0.00259 -0.05289 -0.03021 0.01551 -0.14967 67 2PX 0.03431 -0.00969 0.04327 0.03442 0.00860 68 2PY 0.08675 -0.04923 0.00103 0.07885 -0.21769 69 2PZ -0.00102 0.01227 -0.07994 0.00861 0.02341 70 3S 0.09001 0.04037 0.20291 0.10012 0.12744 71 3PX 0.00521 0.02937 -0.07812 -0.10974 -0.15105 72 3PY -0.23287 0.08568 -0.01143 -0.19049 0.31795 73 3PZ 0.02360 -0.02352 0.18133 0.02407 -0.09463 74 4XX -0.01616 -0.01003 -0.01006 0.01977 -0.04620 75 4YY 0.04411 -0.00946 0.00339 -0.01388 -0.03787 76 4ZZ -0.02296 -0.02975 -0.01244 0.02527 -0.07804 77 4XY 0.00034 -0.00688 0.01240 -0.01127 0.02717 78 4XZ -0.01909 -0.00961 -0.00566 0.01333 -0.01234 79 4YZ 0.01454 0.00530 0.00060 -0.02858 0.02711 80 8 H 1S 0.24822 0.01299 0.27873 -0.07537 -0.00253 81 2S -0.92001 0.02752 -0.95961 -0.06874 -0.14613 82 9 H 1S 0.24867 -0.00468 -0.27847 -0.07561 -0.00257 83 2S -0.91979 -0.05853 0.95896 -0.06850 -0.14590 84 10 C 1S -0.01243 -0.00136 0.00701 -0.00839 -0.00500 85 2S -0.10232 0.10070 -0.11908 0.22247 -0.10240 86 2PX -0.22376 0.18249 0.33416 -0.08947 0.06201 87 2PY -0.10470 -0.11095 -0.16610 -0.19092 0.06338 88 2PZ -0.26114 0.19841 0.27822 -0.25472 -0.00496 89 3S 0.12654 -1.06106 0.04497 -0.90035 0.46190 90 3PX 0.60778 -1.29063 -1.38338 0.31142 0.05053 91 3PY 0.26855 0.62455 1.08521 0.73561 -0.14616 92 3PZ 0.65972 -1.22186 -1.13648 0.67312 0.08956 93 4XX -0.00041 -0.02078 -0.02333 0.04777 0.01913 94 4YY -0.02608 0.02093 0.01022 -0.00918 -0.01480 95 4ZZ 0.02294 -0.02043 -0.01904 -0.00779 -0.02188 96 4XY -0.03466 -0.00853 0.03019 -0.00218 0.02179 97 4XZ -0.02722 -0.03881 -0.00108 -0.00086 0.00502 98 4YZ -0.03853 -0.00443 0.02877 0.00364 -0.01500 99 11 C 1S -0.01247 0.00095 -0.00704 -0.00839 -0.00500 100 2S -0.09864 -0.10425 0.11902 0.22261 -0.10252 101 2PX -0.21708 -0.18980 -0.33474 -0.08960 0.06204 102 2PY 0.10864 -0.10742 -0.16570 0.19095 -0.06368 103 2PZ -0.25407 -0.20700 -0.27890 -0.25474 -0.00489 104 3S 0.08946 1.06506 -0.04534 -0.90068 0.46173 105 3PX 0.56194 1.31010 1.38485 0.31200 0.05057 106 3PY -0.29138 0.61509 1.08402 -0.73552 0.14772 107 3PZ 0.61685 1.24303 1.13802 0.67328 0.08955 108 4XX -0.00109 0.02074 0.02333 0.04777 0.01912 109 4YY -0.02536 -0.02179 -0.01028 -0.00917 -0.01483 110 4ZZ 0.02223 0.02118 0.01912 -0.00777 -0.02186 111 4XY 0.03488 -0.00742 0.03028 0.00217 -0.02178 112 4XZ -0.02850 0.03787 0.00102 -0.00087 0.00504 113 4YZ 0.03862 -0.00315 0.02884 -0.00364 0.01501 114 12 C 1S 0.00172 0.02139 -0.02360 0.01639 0.00614 115 2S -0.16776 -0.37634 0.21025 -0.23062 -0.11121 116 2PX -0.05285 -0.12857 -0.11754 -0.05368 0.01981 117 2PY -0.19845 -0.62098 0.14187 -0.23604 -0.26349 118 2PZ -0.04136 -0.12082 -0.21385 0.06374 -0.02682 119 3S -0.05869 -0.01042 -1.22511 0.36657 0.31417 120 3PX 0.16352 0.88434 0.94885 -0.23004 0.03683 121 3PY 0.68084 1.87424 -0.13560 0.79218 0.44595 122 3PZ 0.04199 0.93877 1.13543 -0.41079 0.33635 123 4XX -0.01939 -0.06479 0.01692 -0.05982 -0.03331 124 4YY 0.00788 0.07720 -0.04748 0.01932 0.04421 125 4ZZ -0.02809 -0.06094 0.02153 0.01070 -0.02963 126 4XY -0.00758 -0.03116 -0.04843 0.01337 -0.00576 127 4XZ -0.02243 -0.02837 -0.00815 -0.03226 -0.00732 128 4YZ -0.03191 -0.05473 -0.02211 0.00044 -0.01768 129 13 C 1S -0.00450 0.00096 -0.00613 -0.00794 0.01277 130 2S -0.25182 -0.11449 0.07346 0.11594 0.04810 131 2PX 0.16287 -0.01439 0.31264 -0.45791 -0.26028 132 2PY -0.05596 0.04102 0.17684 -0.02623 -0.05503 133 2PZ -0.20738 -0.24394 -0.06668 0.10699 -0.08731 134 3S 0.65310 0.53386 -0.30375 0.28211 -0.28331 135 3PX -0.12313 0.05324 -0.62381 0.85920 0.44131 136 3PY 0.10682 -0.60678 -0.91159 0.16114 -0.14833 137 3PZ 0.22322 0.89849 0.51355 -0.35073 0.06882 138 4XX -0.02779 -0.01927 -0.02329 0.00421 0.02412 139 4YY -0.04036 -0.00744 0.01677 0.03688 -0.02475 140 4ZZ 0.01927 0.02130 0.00678 -0.01725 0.01584 141 4XY -0.06985 0.01024 -0.01411 0.01027 0.01562 142 4XZ -0.01379 0.00980 -0.03613 0.07606 0.01082 143 4YZ 0.05808 0.04981 0.00003 0.00326 0.02985 144 14 C 1S -0.00448 -0.00110 0.00612 -0.00793 0.01276 145 2S -0.25537 0.10598 -0.07404 0.11588 0.04856 146 2PX 0.16359 0.01996 -0.31196 -0.45795 -0.26010 147 2PY 0.05424 0.04289 0.17702 0.02630 0.05491 148 2PZ -0.21580 0.23680 0.06634 0.10726 -0.08719 149 3S 0.67003 -0.51190 0.30565 0.28229 -0.28404 150 3PX -0.12479 -0.05745 0.62295 0.85880 0.44110 151 3PY -0.08426 -0.60980 -0.91200 -0.16144 0.14834 152 3PZ 0.25433 -0.89042 -0.51327 -0.35195 0.06867 153 4XX -0.02848 0.01834 0.02320 0.00429 0.02407 154 4YY -0.04052 0.00604 -0.01684 0.03687 -0.02471 155 4ZZ 0.01996 -0.02060 -0.00672 -0.01732 0.01592 156 4XY 0.06951 0.01262 -0.01396 -0.01031 -0.01561 157 4XZ -0.01355 -0.01031 0.03607 0.07608 0.01081 158 4YZ -0.05975 0.04779 -0.00008 -0.00322 -0.02986 159 15 C 1S 0.00241 -0.02133 0.02360 0.01638 0.00616 160 2S -0.18016 0.37049 -0.21046 -0.23060 -0.11141 161 2PX -0.05722 0.12672 0.11766 -0.05373 0.02011 162 2PY 0.21895 -0.61409 0.14223 0.23603 0.26376 163 2PZ -0.04589 0.11920 0.21378 0.06389 -0.02674 164 3S -0.06098 0.00865 1.22484 0.36641 0.31518 165 3PX 0.19507 -0.87827 -0.94888 -0.23012 0.03598 166 3PY -0.74342 1.85116 -0.13656 -0.79215 -0.44668 167 3PZ 0.07562 -0.93607 -1.13562 -0.41161 0.33584 168 4XX -0.02151 0.06411 -0.01699 -0.05984 -0.03333 169 4YY 0.01035 -0.07684 0.04754 0.01930 0.04422 170 4ZZ -0.03009 0.05991 -0.02160 0.01072 -0.02961 171 4XY 0.00871 -0.03091 -0.04838 -0.01337 0.00581 172 4XZ -0.02339 0.02759 0.00813 -0.03227 -0.00727 173 4YZ 0.03376 -0.05366 -0.02202 -0.00047 0.01770 174 16 H 1S -0.17091 0.01810 0.15760 0.01109 0.02025 175 2S 0.73307 -0.46091 -0.73480 0.78902 -0.07391 176 17 H 1S -0.17017 -0.02379 -0.15812 0.01104 0.02040 177 2S 0.71667 0.48477 0.73662 0.78941 -0.07454 178 18 H 1S 0.12388 0.40219 -0.18805 0.23016 0.27813 179 2S -0.55184 -1.61495 0.50118 -0.77212 -0.58607 180 19 H 1S -0.21747 -0.04986 -0.24319 0.08344 0.20445 181 2S 0.08929 -0.21100 0.71003 -0.71843 -0.26897 182 20 H 1S -0.21957 0.04260 0.24257 0.08373 0.20402 183 2S 0.08513 0.21385 -0.70957 -0.71853 -0.26821 184 21 H 1S 0.13700 -0.39777 0.18838 0.23009 0.27835 185 2S -0.60499 1.59574 -0.50231 -0.77210 -0.58674 186 22 H 1S 0.31754 0.02129 0.13476 -0.28653 0.11522 187 2S -0.62835 -0.38000 -0.35723 0.78213 0.15321 188 23 H 1S 0.31863 -0.01028 -0.13410 -0.28657 0.11506 189 2S -0.64263 0.35840 0.35543 0.78237 0.15329 101 102 103 104 105 V V V V V Eigenvalues -- 0.93717 0.94030 0.95124 1.00794 1.01439 1 1 C 1S 0.00267 -0.01082 -0.00759 0.01581 0.00961 2 2S -0.10706 0.13804 0.13138 0.81385 0.22064 3 2PX -0.06137 -0.16639 0.02444 -0.07806 -0.09889 4 2PY -0.19527 -0.15613 0.10322 0.03334 0.02827 5 2PZ 0.04452 -0.26764 -0.05806 -0.15581 -0.01251 6 3S 0.20898 -0.52828 -0.06335 -2.52046 -0.45012 7 3PX -0.08585 0.23861 0.23155 0.17157 0.29534 8 3PY 0.48156 0.37784 -0.16669 -0.52519 0.13319 9 3PZ -0.86706 0.52202 0.70209 0.65599 0.06522 10 4XX 0.00893 0.02845 0.01589 0.03443 -0.02803 11 4YY 0.01794 0.00032 -0.00432 0.01008 0.03106 12 4ZZ -0.04431 -0.01211 0.01945 0.05307 0.02126 13 4XY -0.00076 0.05106 0.00019 0.00128 -0.05776 14 4XZ -0.05264 -0.01025 0.03491 0.04570 -0.03850 15 4YZ -0.02792 -0.04383 0.02372 0.00558 0.03673 16 2 O 1S -0.00955 -0.00330 0.00861 0.00800 -0.00259 17 2S -0.01601 0.02263 -0.14142 0.09453 0.01583 18 2PX 0.13677 0.00486 0.10117 0.01811 0.06761 19 2PY -0.01967 -0.14679 0.11216 0.05904 0.12805 20 2PZ -0.04473 0.05104 -0.21539 -0.06361 -0.01979 21 3S 0.33795 -0.02797 0.05014 -0.15604 0.13129 22 3PX -0.38648 0.03514 0.11431 -0.00532 -0.11034 23 3PY 0.05754 0.16088 -0.18421 -0.08455 -0.12175 24 3PZ -0.00701 -0.08102 0.32895 0.00419 0.05005 25 4XX -0.01956 0.00608 -0.07367 0.04055 0.00254 26 4YY -0.03562 0.02176 -0.00345 0.06418 -0.00326 27 4ZZ 0.03848 0.00228 -0.02744 -0.00582 0.00206 28 4XY 0.01738 0.00596 -0.00548 -0.01223 0.04040 29 4XZ 0.00824 -0.02935 -0.01720 0.04140 0.00386 30 4YZ 0.00030 -0.02008 -0.00114 -0.02117 0.01866 31 3 C 1S 0.00000 0.00221 0.00000 -0.00001 0.03072 32 2S -0.00016 -0.06397 0.00043 -0.00011 0.54752 33 2PX 0.00031 0.13802 0.00032 0.00004 0.00649 34 2PY 0.01831 0.00004 -0.11486 -0.01187 -0.00001 35 2PZ -0.00001 0.00184 0.00016 0.00003 -0.00338 36 3S -0.00013 -0.07002 -0.00146 0.00020 -1.11908 37 3PX 0.00016 0.08389 -0.00007 -0.00013 0.03336 38 3PY -0.12194 -0.00014 0.44937 -0.05067 -0.00011 39 3PZ 0.00073 0.31991 0.00010 0.00000 -0.07544 40 4XX -0.00002 -0.01129 0.00000 0.00002 -0.00460 41 4YY -0.00012 -0.05704 -0.00001 -0.00001 0.05957 42 4ZZ 0.00009 0.04846 0.00004 -0.00003 0.04991 43 4XY 0.04029 -0.00012 0.04891 -0.01248 0.00002 44 4XZ 0.00004 0.02222 0.00003 0.00002 -0.00607 45 4YZ -0.02861 0.00007 -0.01800 0.01850 0.00000 46 4 C 1S -0.00272 -0.01083 0.00757 -0.01582 0.00960 47 2S 0.10760 0.13788 -0.13117 -0.81403 0.22010 48 2PX 0.06070 -0.16654 -0.02480 0.07809 -0.09884 49 2PY -0.19454 0.15666 0.10346 0.03331 -0.02834 50 2PZ -0.04570 -0.26764 0.05748 0.15583 -0.01250 51 3S -0.21109 -0.52802 0.06229 2.52074 -0.44836 52 3PX 0.08682 0.23855 -0.23101 -0.17178 0.29567 53 3PY 0.47973 -0.37914 -0.16716 -0.52496 -0.13334 54 3PZ 0.86943 0.52000 -0.70118 -0.65618 0.06568 55 4XX -0.00879 0.02852 -0.01585 -0.03440 -0.02808 56 4YY -0.01795 0.00036 0.00432 -0.01009 0.03106 57 4ZZ 0.04426 -0.01225 -0.01945 -0.05312 0.02126 58 4XY -0.00098 -0.05105 0.00008 0.00125 0.05777 59 4XZ 0.05260 -0.01041 -0.03498 -0.04568 -0.03849 60 4YZ -0.02774 0.04390 0.02382 0.00558 -0.03675 61 5 H 1S 0.00019 0.09055 -0.00013 -0.00014 0.13878 62 2S -0.00087 -0.37471 0.00029 0.00015 0.11012 63 6 H 1S -0.00036 -0.15621 -0.00032 0.00001 0.00058 64 2S 0.00032 0.14026 0.00067 -0.00002 0.32626 65 7 O 1S 0.00954 -0.00333 -0.00862 -0.00800 -0.00260 66 2S 0.01615 0.02234 0.14152 -0.09460 0.01576 67 2PX -0.13684 0.00563 -0.10100 -0.01813 0.06747 68 2PY -0.01900 0.14671 0.11257 0.05909 -0.12793 69 2PZ 0.04495 0.05049 0.21539 0.06374 -0.01976 70 3S -0.33820 -0.02663 -0.05001 0.15608 0.13107 71 3PX 0.38680 0.03376 -0.11439 0.00533 -0.10995 72 3PY 0.05680 -0.16088 -0.18485 -0.08458 0.12158 73 3PZ 0.00668 -0.08051 -0.32897 -0.00441 0.05016 74 4XX 0.01960 0.00588 0.07372 -0.04060 0.00254 75 4YY 0.03573 0.02161 0.00350 -0.06417 -0.00330 76 4ZZ -0.03845 0.00241 0.02749 0.00580 0.00203 77 4XY 0.01736 -0.00602 -0.00554 -0.01219 -0.04040 78 4XZ -0.00836 -0.02935 0.01713 -0.04140 0.00379 79 4YZ 0.00041 0.02008 -0.00113 -0.02119 -0.01869 80 8 H 1S 0.27698 -0.18609 -0.14096 -0.02199 0.14037 81 2S 0.01242 0.70139 -0.15862 -0.71352 0.12549 82 9 H 1S -0.27779 -0.18519 0.14062 0.02191 0.14010 83 2S -0.00944 0.70104 0.15992 0.71337 0.12591 84 10 C 1S 0.00094 0.00626 -0.00336 0.01327 -0.01530 85 2S -0.33708 -0.25479 0.25415 0.46604 -0.49433 86 2PX 0.00621 0.10582 0.04306 -0.12727 -0.10294 87 2PY 0.06973 0.08058 -0.27268 0.27565 0.19437 88 2PZ 0.04238 0.18655 0.06761 -0.14925 0.07536 89 3S 1.22567 0.00791 -0.85480 -1.85123 1.67056 90 3PX 0.12567 -0.23124 -0.91481 1.13476 0.08773 91 3PY -0.46919 0.26284 2.07371 -2.34342 -0.98682 92 3PZ 0.05970 -0.30470 -0.84493 1.23818 -0.24835 93 4XX -0.00625 -0.01926 -0.00079 0.02109 -0.01982 94 4YY -0.01680 -0.04813 0.03738 -0.02623 -0.02323 95 4ZZ -0.02335 0.03343 -0.01374 0.06150 -0.02408 96 4XY -0.01121 0.02314 0.01312 0.00545 0.00859 97 4XZ 0.00254 0.03612 -0.03188 0.06791 -0.02810 98 4YZ -0.00719 0.08448 0.01250 0.03104 -0.05307 99 11 C 1S -0.00091 0.00625 0.00337 -0.01326 -0.01531 100 2S 0.33623 -0.25560 -0.25466 -0.46595 -0.49415 101 2PX -0.00571 0.10592 -0.04301 0.12732 -0.10286 102 2PY 0.06948 -0.08030 -0.27276 0.27573 -0.19412 103 2PZ -0.04167 0.18681 -0.06731 0.14914 0.07554 104 3S -1.22610 0.01140 0.85431 1.85056 1.66988 105 3PX -0.12676 -0.23235 0.91474 -1.13506 0.08611 106 3PY -0.47052 -0.26526 2.07261 -2.34360 0.98413 107 3PZ -0.06087 -0.30603 0.84465 -1.23811 -0.25002 108 4XX 0.00617 -0.01929 0.00075 -0.02104 -0.01981 109 4YY 0.01663 -0.04808 -0.03749 0.02620 -0.02320 110 4ZZ 0.02350 0.03329 0.01382 -0.06150 -0.02410 111 4XY -0.01129 -0.02313 0.01308 0.00548 -0.00859 112 4XZ -0.00239 0.03605 0.03195 -0.06789 -0.02814 113 4YZ -0.00756 -0.08449 0.01230 0.03103 0.05309 114 12 C 1S 0.00661 -0.00251 -0.01119 -0.00773 0.00070 115 2S 0.19032 -0.44932 0.08912 -0.43177 -0.03894 116 2PX 0.19697 0.04219 -0.30445 -0.04064 -0.10219 117 2PY 0.04293 -0.38649 0.15172 -0.08623 -0.05167 118 2PZ 0.10041 0.01484 -0.18345 0.09761 -0.04408 119 3S -0.44727 1.18184 -1.32951 2.11449 -0.29166 120 3PX -0.90283 -0.28320 1.62781 -0.83013 0.59978 121 3PY -0.21214 0.81480 -0.13465 0.22281 -0.44526 122 3PZ -0.83717 -0.55028 1.55344 -0.50027 0.59569 123 4XX 0.03634 -0.04938 0.00147 0.04643 -0.04190 124 4YY 0.04183 0.00228 -0.02673 -0.08330 0.09364 125 4ZZ -0.04567 -0.02302 0.00241 0.00311 -0.06586 126 4XY -0.00974 0.02778 0.01682 -0.05919 -0.03022 127 4XZ 0.02711 -0.01991 -0.07268 0.00965 0.02955 128 4YZ 0.01719 0.00136 -0.01102 0.04282 -0.04310 129 13 C 1S 0.02672 -0.02139 0.01201 -0.00231 0.00030 130 2S -0.58006 -0.17016 -0.32983 -0.23179 0.47147 131 2PX 0.06503 0.12025 -0.18171 -0.07885 0.05690 132 2PY -0.27478 -0.03006 0.00174 -0.01403 0.05799 133 2PZ -0.22375 -0.13455 -0.13714 -0.09032 0.24372 134 3S 1.42178 0.73441 0.29231 0.85235 -1.37805 135 3PX -0.13510 -0.30684 0.09388 0.66671 -0.11403 136 3PY 1.15300 0.16265 -0.81260 -0.22152 -0.14963 137 3PZ -0.07744 0.05176 0.71966 0.15277 -0.08932 138 4XX 0.00360 -0.03294 0.06409 -0.02516 -0.07387 139 4YY -0.04817 0.00048 -0.01240 -0.00874 0.07127 140 4ZZ -0.00404 -0.01698 -0.09214 0.00714 0.07072 141 4XY -0.00651 -0.05404 0.03005 -0.02348 0.03530 142 4XZ -0.06433 -0.00468 0.02231 -0.07108 0.00543 143 4YZ 0.01587 -0.01515 0.00659 0.00039 0.03390 144 14 C 1S -0.02682 -0.02125 -0.01208 0.00230 0.00030 145 2S 0.57921 -0.17320 0.32972 0.23114 0.47164 146 2PX -0.06434 0.12032 0.18204 0.07881 0.05706 147 2PY -0.27480 0.03127 0.00172 -0.01392 -0.05819 148 2PZ 0.22317 -0.13574 0.13698 0.09007 0.24367 149 3S -1.41852 0.74063 -0.29076 -0.85054 -1.37901 150 3PX 0.13343 -0.30778 -0.09461 -0.66654 -0.11460 151 3PY 1.15247 -0.16620 -0.81304 -0.22191 0.15054 152 3PZ 0.07770 0.05268 -0.71981 -0.15260 -0.08861 153 4XX -0.00367 -0.03280 -0.06423 0.02524 -0.07384 154 4YY 0.04815 0.00025 0.01248 0.00866 0.07130 155 4ZZ 0.00390 -0.01718 0.09214 -0.00724 0.07067 156 4XY -0.00625 0.05400 0.03016 -0.02347 -0.03535 157 4XZ 0.06431 -0.00488 -0.02223 0.07107 0.00552 158 4YZ 0.01597 0.01508 0.00661 0.00041 -0.03390 159 15 C 1S -0.00661 -0.00251 0.01118 0.00773 0.00070 160 2S -0.19215 -0.44821 -0.09001 0.43190 -0.03857 161 2PX -0.19683 0.04238 0.30454 0.04062 -0.10227 162 2PY 0.04450 0.38589 0.15226 -0.08629 0.05152 163 2PZ -0.10031 0.01500 0.18351 -0.09758 -0.04431 164 3S 0.45200 1.17691 1.33180 -2.11504 -0.29435 165 3PX 0.90173 -0.28367 -1.62870 0.82987 0.60169 166 3PY -0.21603 -0.81312 -0.13543 0.22236 0.44526 167 3PZ 0.83457 -0.55108 -1.55488 0.49977 0.59771 168 4XX -0.03653 -0.04925 -0.00156 -0.04645 -0.04192 169 4YY -0.04187 0.00240 0.02672 0.08328 0.09366 170 4ZZ 0.04562 -0.02320 -0.00243 -0.00305 -0.06584 171 4XY -0.00987 -0.02776 0.01676 -0.05918 0.03020 172 4XZ -0.02718 -0.01994 0.07265 -0.00970 0.02950 173 4YZ 0.01715 -0.00140 -0.01103 0.04281 0.04318 174 16 H 1S 0.03628 0.32960 -0.13389 0.22535 -0.25377 175 2S -0.32670 -0.57731 0.29732 0.22938 -0.46372 176 17 H 1S -0.03488 0.32947 0.13457 -0.22521 -0.25402 177 2S 0.32453 -0.57783 -0.29832 -0.22899 -0.46381 178 18 H 1S 0.02923 0.19375 -0.14227 -0.13046 0.39250 179 2S 0.14599 -0.96876 0.38110 -0.15608 -0.14105 180 19 H 1S 0.22097 -0.23343 0.43721 -0.12785 -0.24174 181 2S -0.50120 0.26561 -0.59448 -0.24012 0.60221 182 20 H 1S -0.22196 -0.23163 -0.43796 0.12809 -0.24165 183 2S 0.50254 0.26267 0.59505 0.23928 0.60253 184 21 H 1S -0.02865 0.19352 0.14257 0.13026 0.39263 185 2S -0.14990 -0.96707 -0.38276 0.15626 -0.14068 186 22 H 1S 0.50812 -0.05448 0.05880 0.23811 -0.19768 187 2S -1.05531 -0.35627 -0.10179 -0.24359 0.44796 188 23 H 1S -0.50834 -0.05219 -0.05927 -0.23790 -0.19783 189 2S 1.05373 -0.36100 0.10140 0.24306 0.44804 106 107 108 109 110 V V V V V Eigenvalues -- 1.02295 1.02725 1.09209 1.09920 1.11414 1 1 C 1S 0.01055 -0.00075 0.00467 0.00901 0.01456 2 2S -0.10639 0.04432 -0.08665 -0.21100 0.32932 3 2PX 0.18615 -0.06354 0.06201 0.13913 -0.16818 4 2PY -0.18762 -0.06822 0.01287 -0.00801 0.05682 5 2PZ 0.04739 -0.09596 -0.13359 0.01340 0.05967 6 3S 1.28453 -0.24418 0.37840 0.44880 -0.04803 7 3PX -0.36667 0.03982 0.16622 0.21797 0.43513 8 3PY 1.23306 0.18501 0.21593 0.03819 -0.33823 9 3PZ 0.10720 0.17253 1.10065 0.11723 -0.13422 10 4XX 0.01128 0.00966 -0.04096 0.05150 -0.02846 11 4YY 0.01929 -0.00774 0.00387 -0.05474 0.04719 12 4ZZ 0.02235 0.00411 0.05039 0.04388 0.02865 13 4XY 0.00689 -0.01586 0.01314 0.01723 -0.01440 14 4XZ 0.07233 0.01514 0.01458 -0.01274 0.00872 15 4YZ 0.00018 0.04935 0.00200 -0.05331 -0.08910 16 2 O 1S -0.00630 -0.00083 -0.00157 0.00674 0.01302 17 2S -0.45991 -0.12950 0.00536 0.07663 0.21757 18 2PX -0.26733 -0.05546 -0.34319 -0.03099 0.07821 19 2PY 0.37355 0.06698 -0.25206 0.11533 -0.13201 20 2PZ 0.03925 0.06662 0.26254 -0.31486 -0.41605 21 3S 1.13266 0.11757 -0.18527 -0.24486 -0.75795 22 3PX 0.45546 0.15929 0.71613 0.24667 -0.11901 23 3PY -0.65940 -0.21100 0.38801 -0.20410 0.16289 24 3PZ -0.00451 -0.18393 -0.30204 0.61957 0.73030 25 4XX -0.12943 -0.07387 0.09955 0.01226 0.14774 26 4YY -0.09192 -0.03570 -0.04620 0.03121 -0.03205 27 4ZZ -0.21127 -0.01694 -0.04739 0.00735 0.08804 28 4XY -0.01514 -0.05141 0.01399 0.00625 0.04810 29 4XZ -0.00424 -0.00417 -0.06620 0.02091 0.00938 30 4YZ -0.01379 0.04620 0.00118 -0.01449 -0.02438 31 3 C 1S 0.00000 -0.00093 0.00005 0.02843 -0.03478 32 2S -0.00007 0.28471 0.00101 0.55418 -0.49353 33 2PX -0.00012 0.33913 0.00014 0.10084 -0.03317 34 2PY -0.25327 -0.00008 0.00512 0.00001 0.00000 35 2PZ -0.00007 0.09399 -0.00007 -0.02672 0.02140 36 3S 0.00026 -0.94758 -0.00319 -1.65200 0.76595 37 3PX 0.00029 -1.00436 -0.00033 -0.29864 0.20747 38 3PY 0.75513 0.00022 0.36904 -0.00083 -0.00060 39 3PZ 0.00011 -0.17264 -0.00075 -0.32295 -0.47156 40 4XX -0.00004 0.12184 -0.00003 0.01975 -0.10750 41 4YY -0.00003 0.04728 0.00005 0.02850 0.00341 42 4ZZ 0.00005 -0.11853 0.00006 0.01459 -0.03352 43 4XY 0.00345 -0.00002 -0.14951 0.00033 0.00009 44 4XZ -0.00002 0.04082 -0.00021 -0.05192 -0.15571 45 4YZ 0.10161 0.00007 0.05826 -0.00013 0.00003 46 4 C 1S -0.01055 -0.00075 -0.00461 0.00904 0.01456 47 2S 0.10633 0.04458 0.08629 -0.21122 0.32833 48 2PX -0.18607 -0.06370 -0.06165 0.13936 -0.16799 49 2PY -0.18767 0.06822 0.01281 0.00796 -0.05663 50 2PZ -0.04730 -0.09600 0.13376 0.01285 0.05942 51 3S -1.28425 -0.24538 -0.37694 0.44997 -0.04337 52 3PX 0.36664 0.04023 -0.16474 0.21865 0.43675 53 3PY 1.23325 -0.18447 0.21626 -0.03919 0.33602 54 3PZ -0.10713 0.17239 -1.10030 0.12170 -0.13163 55 4XX -0.01128 0.00968 0.04116 0.05131 -0.02850 56 4YY -0.01929 -0.00772 -0.00402 -0.05474 0.04717 57 4ZZ -0.02235 0.00409 -0.05019 0.04413 0.02875 58 4XY 0.00690 0.01587 0.01311 -0.01729 0.01438 59 4XZ -0.07234 0.01510 -0.01465 -0.01267 0.00874 60 4YZ 0.00022 -0.04936 0.00231 0.05328 0.08909 61 5 H 1S 0.00016 -0.47957 0.00030 0.10584 -0.03821 62 2S -0.00030 1.02151 0.00101 0.55934 0.19937 63 6 H 1S 0.00002 0.03444 0.00018 0.10106 -0.05008 64 2S -0.00020 0.62703 0.00081 0.47187 -0.32657 65 7 O 1S 0.00630 -0.00082 0.00161 0.00673 0.01302 66 2S 0.46001 -0.12922 -0.00478 0.07653 0.21739 67 2PX 0.26734 -0.05518 0.34315 -0.03246 0.07786 68 2PY 0.37358 -0.06684 -0.25234 -0.11423 0.13237 69 2PZ -0.03925 0.06641 -0.26431 -0.31377 -0.41625 70 3S -1.13278 0.11689 0.18362 -0.24522 -0.75858 71 3PX -0.45550 0.15887 -0.71526 0.24968 -0.11767 72 3PY -0.65950 0.21076 0.38852 0.20235 -0.16332 73 3PZ 0.00456 -0.18369 0.30541 0.61829 0.73106 74 4XX 0.12948 -0.07381 -0.09933 0.01266 0.14775 75 4YY 0.09195 -0.03562 0.04630 0.03097 -0.03219 76 4ZZ 0.21129 -0.01680 0.04754 0.00710 0.08801 77 4XY -0.01518 0.05140 0.01386 -0.00631 -0.04811 78 4XZ 0.00425 -0.00415 0.06630 0.02061 0.00921 79 4YZ -0.01379 -0.04621 0.00127 0.01450 0.02436 80 8 H 1S -0.07749 -0.00134 -0.24486 0.08745 -0.02585 81 2S -0.14391 0.16905 -0.29779 -0.04551 -0.02347 82 9 H 1S 0.07752 -0.00125 0.24526 0.08640 -0.02645 83 2S 0.14371 0.16892 0.29767 -0.04675 -0.02405 84 10 C 1S -0.00452 -0.01307 0.00845 0.01557 -0.01726 85 2S -0.29734 -0.43727 0.29849 0.56373 -0.48751 86 2PX 0.02355 0.00577 0.01877 0.08139 -0.10457 87 2PY -0.00021 0.15827 0.03455 0.01723 -0.00851 88 2PZ -0.01078 0.05173 0.01740 0.12151 0.00932 89 3S 1.19527 1.78150 -0.82641 -1.77926 0.98315 90 3PX 0.09707 0.20087 -0.10753 -0.69588 0.27232 91 3PY -0.21619 -0.73822 0.17792 0.14257 -0.16511 92 3PZ 0.23028 0.11072 -0.03202 -0.70122 0.04831 93 4XX 0.00145 0.00944 -0.00594 -0.00587 -0.04626 94 4YY -0.00554 -0.04088 0.00486 0.09244 -0.05714 95 4ZZ -0.02816 -0.03224 0.03390 -0.01848 0.05676 96 4XY -0.00584 -0.01966 0.00364 0.08274 -0.01810 97 4XZ -0.00395 -0.00937 0.01786 0.01965 -0.02807 98 4YZ -0.01053 -0.04164 0.00543 -0.01703 0.01903 99 11 C 1S 0.00453 -0.01307 -0.00841 0.01560 -0.01725 100 2S 0.29771 -0.43700 -0.29656 0.56479 -0.48699 101 2PX -0.02353 0.00571 -0.01856 0.08152 -0.10450 102 2PY -0.00010 -0.15834 0.03449 -0.01739 0.00856 103 2PZ 0.01072 0.05168 -0.01686 0.12168 0.00937 104 3S -1.19650 1.78039 0.81956 -1.78128 0.98122 105 3PX -0.09728 0.20137 0.10477 -0.69687 0.27265 106 3PY -0.21654 0.73882 0.17746 -0.14400 0.16429 107 3PZ -0.23040 0.11130 0.02894 -0.70202 0.04933 108 4XX -0.00146 0.00945 0.00586 -0.00591 -0.04633 109 4YY 0.00559 -0.04090 -0.00452 0.09249 -0.05712 110 4ZZ 0.02818 -0.03219 -0.03392 -0.01836 0.05689 111 4XY -0.00586 0.01965 0.00329 -0.08271 0.01806 112 4XZ 0.00395 -0.00933 -0.01781 0.01971 -0.02805 113 4YZ -0.01054 0.04161 0.00548 0.01704 -0.01913 114 12 C 1S -0.01109 0.00052 -0.01218 -0.02072 -0.01139 115 2S -0.20578 0.22199 0.11614 -0.82688 0.05613 116 2PX 0.13604 -0.11943 0.05091 0.03377 -0.00564 117 2PY -0.06593 -0.10428 0.05024 -0.03963 0.11183 118 2PZ -0.01930 -0.06914 -0.05407 0.10227 -0.05801 119 3S 0.97160 -1.03342 -0.33965 2.75244 -0.52968 120 3PX -0.49690 0.72873 0.15931 -0.40538 0.17667 121 3PY 0.01531 0.02745 -0.36969 -0.61338 -0.13577 122 3PZ -0.26057 0.58434 0.38222 -0.35788 0.15966 123 4XX 0.00485 -0.01555 -0.03846 0.02460 -0.01695 124 4YY -0.01070 0.04121 0.02370 -0.02326 0.02731 125 4ZZ -0.02254 -0.01534 0.00570 -0.09205 -0.01682 126 4XY 0.00821 0.00157 -0.00938 -0.02557 0.03095 127 4XZ 0.01037 -0.01611 -0.02314 0.01913 -0.03536 128 4YZ 0.00529 -0.00432 0.00487 0.02569 -0.05503 129 13 C 1S -0.00743 0.00466 0.01167 0.00039 -0.01171 130 2S -0.10471 -0.35535 -0.24823 -0.10910 -0.32145 131 2PX 0.06241 -0.01795 -0.07764 0.16501 -0.13859 132 2PY -0.06486 -0.23732 -0.11590 -0.08603 -0.02999 133 2PZ -0.05819 -0.26289 -0.10670 -0.06425 -0.03524 134 3S 0.35365 0.97448 0.33763 0.07139 0.77829 135 3PX 0.04606 0.02480 0.45709 -0.24463 0.42557 136 3PY 0.19416 0.39330 0.34401 0.18676 0.19205 137 3PZ 0.15273 0.59320 0.32424 0.51666 0.12910 138 4XX -0.01651 0.01518 0.02897 -0.01053 -0.01838 139 4YY -0.00417 -0.03537 -0.02047 -0.00059 -0.04198 140 4ZZ -0.00476 -0.02504 -0.03150 -0.00564 0.00569 141 4XY -0.01187 0.11388 0.01255 0.09024 0.03027 142 4XZ -0.01822 0.01737 0.02199 -0.02390 0.05808 143 4YZ 0.00532 0.01915 0.02023 0.04150 0.05643 144 14 C 1S 0.00743 0.00466 -0.01168 0.00043 -0.01165 145 2S 0.10489 -0.35501 0.24774 -0.11025 -0.32083 146 2PX -0.06237 -0.01814 0.07834 0.16462 -0.13888 147 2PY -0.06504 0.23728 -0.11563 0.08654 0.03005 148 2PZ 0.05837 -0.26269 0.10651 -0.06472 -0.03503 149 3S -0.35442 0.97361 -0.33756 0.07272 0.77549 150 3PX -0.04614 0.02569 -0.45807 -0.24216 0.42721 151 3PY 0.19455 -0.39301 0.34330 -0.18895 -0.19190 152 3PZ -0.15302 0.59303 -0.32197 0.51860 0.12814 153 4XX 0.01653 0.01518 -0.02907 -0.01042 -0.01833 154 4YY 0.00418 -0.03535 0.02046 -0.00068 -0.04195 155 4ZZ 0.00476 -0.02501 0.03153 -0.00577 0.00571 156 4XY -0.01182 -0.11387 0.01221 -0.09031 -0.03030 157 4XZ 0.01818 0.01729 -0.02203 -0.02383 0.05798 158 4YZ 0.00534 -0.01914 0.01999 -0.04161 -0.05642 159 15 C 1S 0.01108 0.00053 0.01208 -0.02076 -0.01141 160 2S 0.20562 0.22189 -0.11976 -0.82643 0.05679 161 2PX -0.13597 -0.11954 -0.05070 0.03405 -0.00572 162 2PY -0.06602 0.10445 0.05029 0.03921 -0.11150 163 2PZ 0.01932 -0.06906 0.05446 0.10206 -0.05831 164 3S -0.97083 -1.03261 0.35141 2.75058 -0.53019 165 3PX 0.49648 0.72861 -0.16106 -0.40464 0.17693 166 3PY 0.01535 -0.02797 -0.36663 0.61602 0.13552 167 3PZ 0.26034 0.58454 -0.38373 -0.35597 0.16146 168 4XX -0.00481 -0.01554 0.03853 0.02445 -0.01705 169 4YY 0.01065 0.04120 -0.02375 -0.02310 0.02739 170 4ZZ 0.02254 -0.01533 -0.00613 -0.09208 -0.01678 171 4XY 0.00822 -0.00152 -0.00930 0.02559 -0.03085 172 4XZ -0.01036 -0.01609 0.02321 0.01900 -0.03526 173 4YZ 0.00528 0.00433 0.00482 -0.02569 0.05500 174 16 H 1S -0.03484 -0.04343 0.08706 -0.10270 -0.02542 175 2S -0.14758 -0.35014 0.09945 -0.10689 -0.16526 176 17 H 1S 0.03480 -0.04326 -0.08760 -0.10252 -0.02477 177 2S 0.14787 -0.35001 -0.10011 -0.10672 -0.16476 178 18 H 1S -0.03660 0.12762 0.05149 0.10764 -0.09524 179 2S -0.20895 0.00684 0.25223 -0.29719 0.19262 180 19 H 1S -0.07042 0.43247 0.29364 0.14112 0.09243 181 2S -0.09361 -1.12740 -0.88231 -0.22718 -0.75497 182 20 H 1S 0.07023 0.43226 -0.29329 0.14223 0.09271 183 2S 0.09430 -1.12728 0.88164 -0.23133 -0.75526 184 21 H 1S 0.03647 0.12764 -0.05101 0.10809 -0.09512 185 2S 0.20906 0.00658 -0.25341 -0.29577 0.19251 186 22 H 1S 0.06503 0.07299 0.17681 -0.05099 -0.00869 187 2S -0.28536 -0.46932 -0.23073 -0.37985 -0.01505 188 23 H 1S -0.06503 0.07293 -0.17708 -0.05035 -0.00804 189 2S 0.28562 -0.46883 0.22929 -0.38099 -0.01424 111 112 113 114 115 V V V V V Eigenvalues -- 1.14921 1.15187 1.18946 1.20405 1.25127 1 1 C 1S -0.00039 0.02009 -0.00439 -0.00221 0.00742 2 2S -0.58238 0.14026 0.00693 -0.10233 0.25544 3 2PX 0.10248 0.04450 0.03905 0.09926 -0.16320 4 2PY -0.09961 0.07485 -0.06250 0.13995 0.04372 5 2PZ -0.10500 0.14757 0.11885 -0.07860 -0.13910 6 3S 2.40224 0.23913 0.10805 -0.94552 -0.57722 7 3PX 0.78427 0.09871 0.27725 -0.81583 1.00099 8 3PY 1.00033 -0.32346 0.36170 -0.65078 -0.10692 9 3PZ 0.95049 -0.09353 0.12113 -0.13878 1.11283 10 4XX 0.01217 0.09074 -0.08424 -0.02735 -0.08927 11 4YY 0.00076 0.00651 -0.02578 -0.00740 0.00790 12 4ZZ 0.01211 -0.04736 0.10295 -0.02345 0.11834 13 4XY 0.00244 -0.10457 -0.12492 -0.01403 -0.00723 14 4XZ -0.01126 -0.03147 -0.02068 -0.05660 0.02441 15 4YZ 0.00622 0.00931 0.02986 0.01881 0.03739 16 2 O 1S 0.00276 0.01388 0.01445 -0.00264 0.00395 17 2S -0.06810 0.27739 0.18840 -0.02811 0.01538 18 2PX -0.01880 -0.42862 -0.05334 0.14081 0.02055 19 2PY -0.03356 -0.16083 0.23462 -0.02789 -0.10516 20 2PZ -0.25388 0.11409 0.00006 0.25009 -0.09670 21 3S -0.38171 -0.66650 -0.37415 0.15435 -0.48019 22 3PX 0.38352 0.80253 0.10651 -0.46073 0.17401 23 3PY -0.01328 0.27318 -0.48029 0.08472 0.17070 24 3PZ 0.59731 -0.13833 0.11958 -0.65440 0.22209 25 4XX -0.03550 0.09344 0.09077 0.00400 0.08639 26 4YY -0.04335 -0.04842 0.04920 -0.00814 -0.01459 27 4ZZ 0.01617 0.19999 0.00760 -0.00416 -0.05324 28 4XY 0.00146 -0.01902 0.01807 0.03717 0.00454 29 4XZ -0.05729 0.05052 0.05263 -0.02279 -0.06193 30 4YZ -0.00719 0.05374 0.06410 0.03469 0.00263 31 3 C 1S -0.00012 -0.02222 0.04280 0.00003 0.00002 32 2S -0.00170 -0.30600 0.74455 0.00055 0.00026 33 2PX -0.00025 -0.06283 -0.29023 -0.00038 0.00015 34 2PY 0.03743 -0.00015 -0.00001 0.00608 0.05645 35 2PZ -0.00070 -0.17969 -0.02058 -0.00009 0.00000 36 3S 0.00301 0.52491 -1.16624 -0.00047 -0.00123 37 3PX -0.00188 -0.47164 0.39202 0.00023 -0.00022 38 3PY 0.44389 -0.00156 0.00068 -0.60851 0.11056 39 3PZ 0.00253 0.72141 -0.41085 -0.00014 0.00028 40 4XX -0.00009 -0.00504 -0.00724 -0.00001 0.00005 41 4YY 0.00021 0.04366 0.11026 0.00017 -0.00011 42 4ZZ -0.00067 -0.15101 0.01032 -0.00009 0.00007 43 4XY -0.00361 0.00005 -0.00004 0.01961 -0.07458 44 4XZ -0.00093 -0.20509 0.00417 -0.00008 0.00004 45 4YZ -0.07042 0.00027 -0.00004 0.06269 0.01598 46 4 C 1S 0.00057 0.02009 -0.00439 0.00221 -0.00739 47 2S 0.58406 0.13543 0.00654 0.10215 -0.25501 48 2PX -0.10247 0.04546 0.03939 -0.09899 0.16301 49 2PY -0.10031 -0.07420 0.06221 0.13995 0.04376 50 2PZ 0.10625 0.14667 0.11880 0.07907 0.13903 51 3S -2.40045 0.25732 0.10614 0.94625 0.57651 52 3PX -0.78280 0.10386 0.27484 0.81594 -1.00055 53 3PY 1.00359 0.31625 -0.36008 -0.65131 -0.10676 54 3PZ -0.95124 -0.08653 0.11993 0.13866 -1.11271 55 4XX -0.01155 0.09082 -0.08422 0.02713 0.08956 56 4YY -0.00061 0.00650 -0.02579 0.00735 -0.00791 57 4ZZ -0.01244 -0.04731 0.10279 0.02365 -0.11849 58 4XY 0.00331 0.10456 0.12496 -0.01363 -0.00752 59 4XZ 0.01103 -0.03160 -0.02080 0.05651 -0.02435 60 4YZ 0.00626 -0.00933 -0.02990 0.01875 0.03742 61 5 H 1S -0.00024 -0.03252 0.16190 0.00007 0.00010 62 2S -0.00213 -0.59712 0.58148 0.00031 -0.00007 63 6 H 1S 0.00090 0.23483 0.17265 0.00025 0.00009 64 2S -0.00042 -0.03984 -0.11362 -0.00026 0.00039 65 7 O 1S -0.00262 0.01389 0.01444 0.00269 -0.00398 66 2S 0.07060 0.27678 0.18830 0.02872 -0.01561 67 2PX 0.01552 -0.42870 -0.05308 -0.14127 -0.02074 68 2PY -0.03218 0.16112 -0.23460 -0.02819 -0.10513 69 2PZ 0.25424 0.11240 0.00061 -0.24967 0.09643 70 3S 0.37515 -0.66907 -0.37340 -0.15564 0.48115 71 3PX -0.37739 0.80515 0.10549 0.46149 -0.17348 72 3PY -0.01542 -0.27323 0.48007 0.08539 0.17041 73 3PZ -0.59750 -0.13431 0.11819 0.65384 -0.22147 74 4XX 0.03647 0.09317 0.09070 -0.00367 -0.08664 75 4YY 0.04289 -0.04878 0.04919 0.00812 0.01470 76 4ZZ -0.01446 0.20007 0.00761 0.00437 0.05312 77 4XY 0.00154 0.01896 -0.01815 0.03714 0.00460 78 4XZ 0.05770 0.05006 0.05262 0.02295 0.06194 79 4YZ -0.00760 -0.05376 -0.06416 0.03441 0.00280 80 8 H 1S -0.19115 0.04967 0.24732 0.01502 -0.33507 81 2S -0.20055 -0.18429 -0.10108 0.16657 -0.33979 82 9 H 1S 0.19150 0.04830 0.24764 -0.01445 0.33495 83 2S 0.19903 -0.18554 -0.10041 -0.16725 0.34036 84 10 C 1S -0.00259 -0.00062 -0.00168 -0.00951 -0.04031 85 2S -0.01288 -0.04056 -0.18465 -0.35370 -0.90599 86 2PX -0.00668 0.01644 0.00070 -0.08106 -0.03401 87 2PY -0.05862 0.07562 -0.04392 -0.07627 -0.00018 88 2PZ -0.05681 0.02517 0.05202 -0.11856 0.15843 89 3S -0.38949 0.43733 0.02686 -0.07451 3.44784 90 3PX 0.62467 -0.05150 0.10539 0.45832 -0.04307 91 3PY 0.22378 -0.32278 0.42712 -0.85411 0.19735 92 3PZ 1.03974 -0.08917 0.14467 0.27913 -0.77011 93 4XX -0.05811 -0.02293 -0.00624 -0.02537 -0.04047 94 4YY 0.00408 0.00954 -0.02820 -0.01241 -0.01615 95 4ZZ 0.06677 0.00553 0.02305 -0.00039 -0.03169 96 4XY 0.03517 0.01160 -0.11170 0.02827 -0.06136 97 4XZ -0.01241 0.00414 0.00687 -0.05161 -0.07669 98 4YZ 0.05335 -0.04284 0.12675 0.00004 -0.01155 99 11 C 1S 0.00255 -0.00065 -0.00168 0.00952 0.04030 100 2S 0.01157 -0.04113 -0.18489 0.35356 0.90573 101 2PX 0.00655 0.01626 0.00050 0.08120 0.03381 102 2PY -0.05920 -0.07512 0.04410 -0.07625 -0.00013 103 2PZ 0.05693 0.02451 0.05159 0.11871 -0.15861 104 3S 0.39494 0.43496 0.02424 0.07412 -3.44712 105 3PX -0.62432 -0.04544 0.10680 -0.45842 0.04340 106 3PY 0.22683 0.32228 -0.42480 -0.85508 0.19758 107 3PZ -1.03998 -0.07989 0.14623 -0.27901 0.77042 108 4XX 0.05794 -0.02342 -0.00626 0.02528 0.04061 109 4YY -0.00417 0.00954 -0.02822 0.01239 0.01610 110 4ZZ -0.06667 0.00607 0.02306 0.00048 0.03161 111 4XY 0.03512 -0.01189 0.11158 0.02855 -0.06151 112 4XZ 0.01241 0.00400 0.00679 0.05168 0.07661 113 4YZ 0.05363 0.04242 -0.12679 -0.00023 -0.01150 114 12 C 1S -0.00788 -0.00314 0.00510 -0.02077 -0.00101 115 2S 0.39930 -0.27410 0.07679 -0.20100 -0.26967 116 2PX -0.03963 -0.16531 -0.02922 -0.02841 0.02090 117 2PY -0.29294 -0.05481 -0.10032 -0.33619 0.05176 118 2PZ -0.14151 -0.01191 0.08613 0.02023 0.06974 119 3S 0.28298 0.37920 -0.78087 1.58054 0.88846 120 3PX -0.01013 0.43446 -0.17075 0.24563 -0.56019 121 3PY 0.60807 0.03391 0.86956 1.77781 -0.14168 122 3PZ 0.63206 0.26503 -0.95501 -0.38458 -0.33115 123 4XX -0.02622 0.03284 -0.05384 0.00352 0.04302 124 4YY 0.02239 -0.01593 -0.01803 -0.13687 0.00391 125 4ZZ 0.02454 -0.04213 0.06155 0.08053 -0.04659 126 4XY -0.04104 0.01505 0.01862 0.05780 -0.05129 127 4XZ 0.10566 -0.00394 0.00811 0.01915 0.02171 128 4YZ 0.03881 0.01686 0.00907 0.02208 0.07809 129 13 C 1S 0.02839 -0.00272 -0.03865 -0.01363 0.01255 130 2S 0.38550 -0.05622 -0.80650 -0.18886 0.28785 131 2PX -0.08599 -0.01425 -0.11812 0.00183 -0.15119 132 2PY 0.01185 0.04197 0.04731 -0.04680 0.01422 133 2PZ 0.12820 0.10639 0.03640 -0.16531 0.03504 134 3S -1.27800 -0.34858 2.25850 1.55683 -0.92176 135 3PX 0.42679 -0.06919 0.05057 -0.38278 0.81686 136 3PY -0.53931 -0.16346 0.30144 -1.06486 0.24155 137 3PZ -0.56755 -0.04764 -0.52434 0.43440 -0.39174 138 4XX -0.01105 0.00152 0.00532 0.00939 -0.00441 139 4YY 0.01730 0.01407 -0.07310 0.01419 0.01323 140 4ZZ 0.05081 -0.02510 -0.05724 -0.03766 0.02260 141 4XY -0.00164 0.00972 -0.06090 -0.00516 -0.00760 142 4XZ -0.06520 -0.04502 -0.00099 0.04323 -0.09957 143 4YZ -0.03497 0.00114 -0.08686 -0.06311 -0.00477 144 14 C 1S -0.02844 -0.00251 -0.03869 0.01350 -0.01246 145 2S -0.38670 -0.05337 -0.80715 0.18651 -0.28649 146 2PX 0.08546 -0.01489 -0.11799 -0.00206 0.15104 147 2PY 0.01166 -0.04198 -0.04721 -0.04704 0.01428 148 2PZ -0.12746 0.10725 0.03599 0.16553 -0.03510 149 3S 1.27739 -0.35713 2.26294 -1.55022 0.91738 150 3PX -0.42610 -0.06621 0.04904 0.38276 -0.81628 151 3PY -0.53878 0.16827 -0.29841 -1.06563 0.24232 152 3PZ 0.56725 -0.05193 -0.52331 -0.43656 0.39278 153 4XX 0.01107 0.00141 0.00534 -0.00950 0.00461 154 4YY -0.01724 0.01422 -0.07310 -0.01435 -0.01310 155 4ZZ -0.05108 -0.02471 -0.05731 0.03755 -0.02270 156 4XY -0.00180 -0.00968 0.06094 -0.00513 -0.00751 157 4XZ 0.06495 -0.04551 -0.00084 -0.04334 0.09960 158 4YZ -0.03503 -0.00080 0.08700 -0.06284 -0.00486 159 15 C 1S 0.00784 -0.00322 0.00506 0.02081 0.00097 160 2S -0.40114 -0.27109 0.07658 0.20140 0.26904 161 2PX 0.03824 -0.16551 -0.02933 0.02830 -0.02109 162 2PY -0.29267 0.05747 0.10124 -0.33583 0.05162 163 2PZ 0.14123 -0.01293 0.08615 -0.02006 -0.06984 164 3S -0.28171 0.38353 -0.77753 -1.58323 -0.88627 165 3PX 0.01394 0.43389 -0.17015 -0.24612 0.56118 166 3PY 0.60795 -0.04028 -0.87394 1.77528 -0.14107 167 3PZ -0.62964 0.26895 -0.95587 0.38215 0.33282 168 4XX 0.02634 0.03264 -0.05386 -0.00352 -0.04310 169 4YY -0.02244 -0.01584 -0.01835 0.13680 -0.00396 170 4ZZ -0.02481 -0.04190 0.06178 -0.08045 0.04669 171 4XY -0.04120 -0.01477 -0.01877 0.05778 -0.05125 172 4XZ -0.10576 -0.00306 0.00816 -0.01902 -0.02187 173 4YZ 0.03875 -0.01718 -0.00911 0.02210 0.07801 174 16 H 1S 0.39898 -0.07463 0.14147 -0.05151 -0.37786 175 2S 0.39198 -0.13944 -0.02477 0.02726 -0.65741 176 17 H 1S -0.39957 -0.07146 0.14171 0.05191 0.37773 177 2S -0.39320 -0.13615 -0.02411 -0.02736 0.65765 178 18 H 1S -0.09823 0.04777 -0.13516 -0.54275 -0.05630 179 2S -0.29855 -0.19966 -0.30554 -0.82830 -0.06703 180 19 H 1S -0.00141 -0.08636 -0.10674 0.14336 -0.08658 181 2S 0.46209 0.23882 -0.36870 -0.08330 0.02848 182 20 H 1S 0.00091 -0.08625 -0.10636 -0.14399 0.08696 183 2S -0.46211 0.24244 -0.36881 0.08278 -0.02830 184 21 H 1S 0.09849 0.04650 -0.13646 0.54254 0.05617 185 2S 0.29726 -0.20278 -0.30758 0.82742 0.06722 186 22 H 1S 0.25496 -0.04519 -0.13627 -0.08339 0.18568 187 2S 0.49830 0.06505 -0.13498 -0.21038 0.35756 188 23 H 1S -0.25535 -0.04324 -0.13652 0.08292 -0.18535 189 2S -0.49772 0.06875 -0.13566 0.21004 -0.35692 116 117 118 119 120 V V V V V Eigenvalues -- 1.26439 1.36726 1.37046 1.39833 1.42704 1 1 C 1S -0.01130 0.01619 -0.02494 -0.02893 0.00975 2 2S -0.31817 0.38351 -0.34730 -0.50959 0.36867 3 2PX 0.13192 -0.07684 0.03580 0.14998 -0.07917 4 2PY 0.11106 0.03980 -0.00236 -0.04260 -0.06974 5 2PZ 0.01294 0.17827 -0.08718 -0.10669 -0.00334 6 3S 0.36072 -0.58420 1.52326 1.15186 -1.28547 7 3PX -0.44479 -0.20478 -0.42099 0.05012 -0.35553 8 3PY -0.23827 -0.12003 1.91602 -0.10549 0.33823 9 3PZ -0.24798 -0.51336 0.13951 0.49898 0.18230 10 4XX -0.14374 -0.02720 -0.15323 -0.13950 -0.01113 11 4YY 0.02602 0.05746 0.01406 -0.09250 0.00075 12 4ZZ 0.02879 -0.01634 0.08814 0.22971 -0.00627 13 4XY -0.12675 0.24425 0.03464 -0.07523 0.01125 14 4XZ -0.04356 0.17131 -0.07096 -0.01110 0.02498 15 4YZ -0.00764 -0.10540 0.00018 -0.09713 0.09734 16 2 O 1S 0.01454 -0.01718 0.00030 0.01508 -0.01367 17 2S 0.05294 -0.18632 -0.11978 0.14210 -0.27647 18 2PX 0.21544 -0.03878 0.30918 -0.07729 0.05402 19 2PY -0.04592 0.02564 0.10728 -0.03024 -0.03015 20 2PZ 0.10993 0.10939 0.23862 -0.01651 0.19737 21 3S -0.51446 0.73174 0.08086 -0.51140 0.78456 22 3PX -0.58241 -0.02569 -0.94735 0.49601 -0.27085 23 3PY -0.07576 0.04440 -0.50099 0.07245 0.00231 24 3PZ -0.39566 -0.27546 -0.86132 0.17985 -0.64945 25 4XX 0.11649 -0.05523 0.01889 0.19813 -0.23075 26 4YY -0.11174 0.05161 0.03182 0.00866 -0.05941 27 4ZZ 0.09469 -0.18513 -0.12866 -0.06387 0.07488 28 4XY 0.06691 -0.09011 0.06543 -0.06205 -0.20193 29 4XZ -0.02398 -0.00048 -0.10046 -0.04665 -0.06401 30 4YZ 0.07706 -0.01168 0.05900 0.12319 0.19158 31 3 C 1S -0.05236 -0.00936 -0.00006 0.02836 -0.00002 32 2S -0.82047 0.04669 -0.00012 0.32651 -0.00022 33 2PX -0.05159 0.02868 0.00017 -0.04113 0.00002 34 2PY 0.00005 0.00071 -0.17748 -0.00017 -0.06156 35 2PZ 0.00186 0.03013 0.00010 0.01052 -0.00003 36 3S 2.59779 -0.03979 0.00067 -1.08394 0.00077 37 3PX 0.02729 -0.30915 -0.00147 0.26550 -0.00020 38 3PY 0.00025 0.00400 -0.98904 -0.00100 -0.27143 39 3PZ -0.30549 0.12320 0.00033 0.05736 0.00005 40 4XX -0.08368 0.07470 0.00023 0.08343 0.00001 41 4YY 0.10587 -0.07446 -0.00034 -0.00384 0.00006 42 4ZZ -0.08516 -0.01012 0.00004 -0.05403 -0.00008 43 4XY -0.00008 -0.00031 0.06795 -0.00003 0.36303 44 4XZ -0.07623 0.12741 0.00055 -0.04463 0.00005 45 4YZ 0.00004 -0.00067 0.16863 0.00028 -0.29112 46 4 C 1S -0.01131 0.01598 0.02512 -0.02888 -0.00971 47 2S -0.31859 0.38065 0.35121 -0.50962 -0.36822 48 2PX 0.13220 -0.07650 -0.03672 0.15023 0.07906 49 2PY -0.11110 -0.03985 -0.00281 0.04250 -0.06980 50 2PZ 0.01304 0.17761 0.08876 -0.10661 0.00340 51 3S 0.36108 -0.57201 -1.52957 1.15068 1.28436 52 3PX -0.44646 -0.20864 0.41939 0.05069 0.35546 53 3PY 0.23849 0.10494 1.91705 0.10915 0.33816 54 3PZ -0.24911 -0.51256 -0.14402 0.49940 -0.18267 55 4XX -0.14362 -0.02841 0.15322 -0.13900 0.01098 56 4YY 0.02601 0.05753 -0.01343 -0.09255 -0.00071 57 4ZZ 0.02861 -0.01566 -0.08862 0.22942 0.00639 58 4XY 0.12677 -0.24455 0.03247 0.07528 0.01108 59 4XZ -0.04360 0.17070 0.07236 -0.01107 -0.02495 60 4YZ 0.00764 0.10540 0.00093 0.09705 0.09744 61 5 H 1S -0.24469 -0.12868 -0.00063 0.14242 -0.00010 62 2S -0.15169 0.08197 0.00021 0.16886 -0.00017 63 6 H 1S -0.23103 0.05453 0.00019 0.04441 -0.00004 64 2S -0.48216 0.12575 0.00052 -0.00445 -0.00003 65 7 O 1S 0.01454 -0.01718 -0.00046 0.01510 0.01366 66 2S 0.05288 -0.18733 0.11805 0.14267 0.27639 67 2PX 0.21550 -0.03628 -0.30934 -0.07801 -0.05398 68 2PY 0.04579 -0.02651 0.10710 0.03039 -0.03015 69 2PZ 0.11021 0.11140 -0.23780 -0.01701 -0.19730 70 3S -0.51383 0.73266 -0.07425 -0.51256 -0.78424 71 3PX -0.58285 -0.03338 0.94634 0.49830 0.27049 72 3PY 0.07604 -0.04036 -0.50149 -0.07331 0.00230 73 3PZ -0.39632 -0.28261 0.85891 0.18168 0.64900 74 4XX 0.11632 -0.05513 -0.01963 0.19794 0.23083 75 4YY -0.11170 0.05184 -0.03143 0.00876 0.05930 76 4ZZ 0.09476 -0.18613 0.12726 -0.06338 -0.07492 77 4XY -0.06691 0.08959 0.06603 0.06224 -0.20191 78 4XZ -0.02393 -0.00125 0.10052 -0.04634 0.06392 79 4YZ -0.07715 0.01124 0.05927 -0.12306 0.19156 80 8 H 1S -0.00556 -0.04403 -0.14599 -0.04204 -0.15837 81 2S -0.37773 -0.19460 -0.30008 -0.02671 -0.29771 82 9 H 1S -0.00520 -0.04513 0.14566 -0.04178 0.15845 83 2S -0.37728 -0.19679 0.29853 -0.02608 0.29768 84 10 C 1S 0.01224 0.00315 0.02934 -0.00469 -0.01970 85 2S 0.34787 0.08415 0.56197 -0.12346 -0.40175 86 2PX 0.10637 0.06330 0.03747 0.02795 -0.00542 87 2PY 0.08213 0.00692 -0.01941 -0.06956 0.02616 88 2PZ 0.10535 0.03861 0.07505 -0.05106 -0.09500 89 3S -0.62421 -0.20423 -1.90774 0.03828 2.71291 90 3PX -0.43464 -0.22633 -0.59745 0.29173 0.89804 91 3PY -0.20072 -0.02210 -0.41209 0.41585 1.27025 92 3PZ -0.40529 -0.17190 -0.25817 0.40067 1.29716 93 4XX -0.00590 -0.15230 0.12101 -0.19834 -0.08160 94 4YY 0.06995 0.04887 0.00245 -0.04168 0.00144 95 4ZZ -0.05188 0.09910 -0.07737 0.22898 0.07040 96 4XY -0.00329 0.04173 -0.00453 0.02388 -0.01587 97 4XZ 0.04863 0.05811 0.05502 -0.06696 0.00710 98 4YZ -0.01382 -0.05336 0.02840 -0.11093 0.01242 99 11 C 1S 0.01230 0.00339 -0.02932 -0.00466 0.01971 100 2S 0.34903 0.08865 -0.56109 -0.12293 0.40195 101 2PX 0.10633 0.06359 -0.03707 0.02795 0.00539 102 2PY -0.08206 -0.00678 -0.01966 0.06954 0.02608 103 2PZ 0.10505 0.03913 -0.07462 -0.05094 0.09513 104 3S -0.63006 -0.21950 1.90659 0.03198 -2.71277 105 3PX -0.43456 -0.23073 0.59499 0.28940 -0.89810 106 3PY 0.20181 0.02573 -0.41067 -0.41196 1.27117 107 3PZ -0.40439 -0.17343 0.25591 0.39661 -1.29748 108 4XX -0.00585 -0.15135 -0.12178 -0.19836 0.08187 109 4YY 0.06996 0.04889 -0.00202 -0.04170 -0.00141 110 4ZZ -0.05183 0.09851 0.07769 0.22899 -0.07065 111 4XY 0.00319 -0.04167 -0.00492 -0.02390 -0.01592 112 4XZ 0.04869 0.05856 -0.05446 -0.06704 -0.00704 113 4YZ 0.01381 0.05311 0.02874 0.11104 0.01234 114 12 C 1S 0.02392 -0.00354 -0.00683 0.03049 -0.00201 115 2S 0.22059 -0.04053 -0.01164 0.38662 -0.13156 116 2PX 0.09521 0.00136 0.04860 0.08846 -0.04661 117 2PY 0.00791 0.08458 0.06429 -0.07729 0.07146 118 2PZ 0.04001 0.00444 -0.04321 0.00865 -0.01684 119 3S -0.72255 -0.19771 -0.47750 -1.03484 1.48711 120 3PX -0.49303 -0.09067 -0.14361 -0.30346 -0.17431 121 3PY -0.42725 -0.06560 -0.29296 0.47353 -1.33022 122 3PZ -0.58859 -0.42324 0.46241 -0.24931 0.27819 123 4XX -0.00532 0.08765 0.09594 0.19343 -0.03495 124 4YY 0.06306 0.05487 0.02985 -0.05777 0.06508 125 4ZZ -0.04333 -0.15676 -0.12156 -0.07256 0.00201 126 4XY -0.00122 0.05306 -0.03327 0.04473 -0.05934 127 4XZ 0.07339 0.05157 0.01917 -0.00070 -0.01867 128 4YZ -0.00013 -0.09246 -0.07997 -0.16036 0.08192 129 13 C 1S -0.04200 -0.03934 0.02418 0.00606 0.02050 130 2S -0.63805 -0.62059 0.27120 0.37983 0.22949 131 2PX 0.18521 -0.11373 -0.14742 -0.00644 0.08327 132 2PY -0.01361 0.10139 0.05262 -0.06497 0.01100 133 2PZ 0.00066 0.20084 0.08364 -0.15528 0.03375 134 3S 1.87324 1.35070 -1.31006 0.00291 -1.58460 135 3PX -0.37773 0.22493 0.85268 -0.05254 -0.28355 136 3PY 0.53951 0.18519 0.30647 0.18272 0.32654 137 3PZ -0.11670 -0.40721 -0.29707 -0.02031 0.36244 138 4XX -0.07912 -0.08715 -0.02668 -0.07002 0.05197 139 4YY -0.04828 -0.05723 -0.01129 0.00785 -0.00256 140 4ZZ 0.01809 0.07215 0.07512 0.09488 -0.03747 141 4XY 0.09061 0.07392 0.04427 0.07259 -0.02530 142 4XZ -0.00979 -0.00391 -0.08841 0.00100 0.00864 143 4YZ -0.01379 0.13557 0.04166 0.00572 0.02392 144 14 C 1S -0.04204 -0.03913 -0.02451 0.00597 -0.02050 145 2S -0.63871 -0.61826 -0.27694 0.37881 -0.22967 146 2PX 0.18535 -0.11485 0.14659 -0.00633 -0.08318 147 2PY 0.01367 -0.10185 0.05176 0.06512 0.01090 148 2PZ 0.00044 0.20151 -0.08181 -0.15558 -0.03359 149 3S 1.87628 1.33968 1.32100 0.00984 1.58394 150 3PX -0.37868 0.23163 -0.85091 -0.05339 0.28319 151 3PY -0.53823 -0.18736 0.30495 -0.18123 0.32708 152 3PZ -0.11575 -0.40960 0.29434 -0.02084 -0.36233 153 4XX -0.07913 -0.08730 0.02626 -0.07009 -0.05189 154 4YY -0.04831 -0.05726 0.01078 0.00787 0.00260 155 4ZZ 0.01806 0.07265 -0.07482 0.09484 0.03734 156 4XY -0.09062 -0.07426 0.04395 -0.07256 -0.02511 157 4XZ -0.00961 -0.00455 0.08845 0.00128 -0.00847 158 4YZ 0.01383 -0.13589 0.04055 -0.00559 0.02379 159 15 C 1S 0.02392 -0.00361 0.00676 0.03049 0.00198 160 2S 0.22096 -0.04086 0.01081 0.38710 0.13113 161 2PX 0.09513 0.00171 -0.04875 0.08878 0.04649 162 2PY -0.00760 -0.08500 0.06338 0.07757 0.07136 163 2PZ 0.03991 0.00411 0.04317 0.00884 0.01689 164 3S -0.72336 -0.20032 0.47695 -1.03877 -1.48587 165 3PX -0.49187 -0.09188 0.14362 -0.30293 0.17463 166 3PY 0.42560 0.06784 -0.29070 -0.47825 -1.32980 167 3PZ -0.58809 -0.41959 -0.46509 -0.25119 -0.27798 168 4XX -0.00536 0.08839 -0.09565 0.19320 0.03471 169 4YY 0.06295 0.05503 -0.02923 -0.05806 -0.06503 170 4ZZ -0.04320 -0.15766 0.12045 -0.07217 -0.00187 171 4XY 0.00109 -0.05285 -0.03367 -0.04503 -0.05941 172 4XZ 0.07337 0.05169 -0.01889 -0.00077 0.01854 173 4YZ 0.00025 0.09313 -0.07956 0.16049 0.08176 174 16 H 1S -0.06952 -0.04138 0.01202 0.19176 0.23512 175 2S -0.22162 -0.14753 -0.04743 0.24238 0.43602 176 17 H 1S -0.06907 -0.04121 -0.01287 0.19087 -0.23537 177 2S -0.22072 -0.14771 0.04567 0.24090 -0.43632 178 18 H 1S 0.24056 -0.08031 0.12260 0.04852 0.16418 179 2S 0.14732 0.05347 0.12100 -0.05540 0.33923 180 19 H 1S -0.15632 -0.17589 -0.07160 -0.03517 0.13021 181 2S -0.12879 -0.30952 -0.06330 0.14666 0.17676 182 20 H 1S -0.15621 -0.17636 0.07025 -0.03543 -0.13010 183 2S -0.12920 -0.30997 0.06045 0.14635 -0.17659 184 21 H 1S 0.24023 -0.07942 -0.12311 0.04771 -0.16431 185 2S 0.14678 0.05418 -0.12009 -0.05662 -0.33922 186 22 H 1S -0.17088 -0.21712 0.17168 0.02064 0.00126 187 2S -0.47057 0.10993 0.39355 0.00499 -0.05604 188 23 H 1S -0.17118 -0.21568 -0.17351 0.02045 -0.00127 189 2S -0.47115 0.11313 -0.39289 0.00432 0.05605 121 122 123 124 125 V V V V V Eigenvalues -- 1.43216 1.43860 1.47574 1.49204 1.52643 1 1 C 1S -0.00383 -0.01656 0.00715 0.02111 -0.00048 2 2S 0.00455 0.08895 0.14024 0.09088 0.17220 3 2PX 0.01489 -0.10476 -0.06916 0.00587 -0.07966 4 2PY -0.03606 -0.01772 0.00618 -0.03437 -0.05612 5 2PZ 0.01503 0.08289 0.02819 0.02016 0.02917 6 3S -0.11232 0.18765 -0.34390 0.74523 -0.30807 7 3PX -0.06454 0.01926 0.08189 0.98321 0.21189 8 3PY 0.12274 0.28198 0.09990 0.90171 0.22859 9 3PZ -0.07487 -0.57176 -0.02724 0.70296 0.03628 10 4XX 0.21486 -0.10745 -0.09951 0.02316 -0.07300 11 4YY -0.00059 -0.00390 0.03984 0.00395 0.03297 12 4ZZ -0.22851 0.06505 0.04315 0.06364 0.00138 13 4XY -0.14659 -0.01595 0.06086 -0.00413 -0.02555 14 4XZ -0.02634 0.04686 0.02053 -0.01961 0.01798 15 4YZ 0.19403 -0.04299 -0.07856 0.04874 0.01806 16 2 O 1S -0.00041 0.00258 -0.00128 0.05076 0.01114 17 2S -0.04586 -0.00019 0.00734 0.82334 0.14844 18 2PX 0.08913 0.12801 0.00102 0.02281 0.03665 19 2PY 0.02581 0.04644 0.00153 0.19768 0.05593 20 2PZ -0.02715 0.03067 0.04207 0.07319 -0.00274 21 3S 0.09556 0.03315 -0.00511 -2.36697 -0.47482 22 3PX -0.27688 -0.39645 -0.05296 -0.04344 -0.15549 23 3PY -0.10008 -0.14685 -0.02823 -0.79116 -0.27372 24 3PZ 0.13853 -0.08213 -0.17974 -0.16077 -0.03699 25 4XX -0.22350 0.16255 0.08904 0.13919 0.05496 26 4YY 0.02324 0.01317 -0.04500 0.39742 0.04819 27 4ZZ 0.15833 -0.16983 -0.04356 0.10224 0.01047 28 4XY 0.08476 0.11679 -0.01310 -0.03643 0.01815 29 4XZ 0.08436 -0.00778 -0.03150 0.15582 0.03342 30 4YZ -0.12883 -0.05683 0.06729 0.03023 0.01965 31 3 C 1S 0.00074 -0.00003 -0.00743 0.00000 -0.00682 32 2S 0.01640 -0.00030 -0.12544 -0.00007 -0.07196 33 2PX -0.00488 0.00005 0.01573 -0.00003 -0.06208 34 2PY -0.00009 -0.03480 -0.00005 -0.22520 0.00008 35 2PZ 0.03082 -0.00005 -0.04163 -0.00003 -0.01871 36 3S 0.03829 0.00088 0.46516 0.00040 0.66548 37 3PX 0.12279 -0.00041 -0.11295 0.00008 0.01767 38 3PY -0.00054 -0.28286 -0.00020 -0.72636 0.00026 39 3PZ -0.34183 0.00032 0.18418 -0.00014 -0.18305 40 4XX -0.09717 0.00004 0.02631 0.00000 -0.03335 41 4YY 0.02024 -0.00007 0.02671 -0.00002 0.04151 42 4ZZ 0.08014 0.00000 -0.04831 0.00003 -0.00089 43 4XY -0.00004 -0.21193 0.00006 0.06644 -0.00002 44 4XZ 0.03033 -0.00002 -0.04432 0.00003 0.03236 45 4YZ 0.00016 0.27122 0.00000 0.09132 -0.00003 46 4 C 1S -0.00379 0.01662 0.00717 -0.02111 -0.00046 47 2S 0.00427 -0.08797 0.14040 -0.09077 0.17235 48 2PX 0.01517 0.10447 -0.06916 -0.00590 -0.07966 49 2PY 0.03593 -0.01786 -0.00624 -0.03430 0.05616 50 2PZ 0.01497 -0.08275 0.02823 -0.02018 0.02919 51 3S -0.11273 -0.18968 -0.34507 -0.74552 -0.30796 52 3PX -0.06449 -0.01927 0.08184 -0.98311 0.21262 53 3PY -0.12074 0.28189 -0.09872 0.90160 -0.22919 54 3PZ -0.07437 0.57100 -0.02765 -0.70270 0.03672 55 4XX 0.21520 0.10721 -0.09944 -0.02330 -0.07297 56 4YY -0.00051 0.00408 0.03981 -0.00397 0.03298 57 4ZZ -0.22881 -0.06494 0.04311 -0.06350 0.00142 58 4XY 0.14659 -0.01639 -0.06083 -0.00403 0.02554 59 4XZ -0.02638 -0.04678 0.02054 0.01963 0.01796 60 4YZ -0.19399 -0.04276 0.07856 0.04872 -0.01809 61 5 H 1S 0.01684 -0.00015 -0.03691 -0.00001 -0.03041 62 2S 0.19140 -0.00036 -0.23562 -0.00008 -0.00643 63 6 H 1S -0.02909 -0.00001 -0.03792 -0.00005 -0.03859 64 2S -0.02216 0.00006 -0.00245 -0.00010 -0.13443 65 7 O 1S -0.00041 -0.00262 -0.00129 -0.05075 0.01117 66 2S -0.04557 -0.00001 0.00730 -0.82327 0.14897 67 2PX 0.08868 -0.12810 0.00093 -0.02272 0.03665 68 2PY -0.02571 0.04644 -0.00150 0.19766 -0.05605 69 2PZ -0.02740 -0.03056 0.04200 -0.07311 -0.00269 70 3S 0.09499 -0.03222 -0.00480 2.36668 -0.47633 71 3PX -0.27553 0.39618 -0.05273 0.04323 -0.15553 72 3PY 0.09954 -0.14698 0.02800 -0.79101 0.27425 73 3PZ 0.13946 0.08141 -0.17943 0.16048 -0.03708 74 4XX -0.22367 -0.16244 0.08904 -0.13909 0.05504 75 4YY 0.02321 -0.01323 -0.04504 -0.39742 0.04847 76 4ZZ 0.15873 0.16957 -0.04358 -0.10226 0.01051 77 4XY -0.08470 0.11688 0.01308 -0.03638 -0.01812 78 4XZ 0.08449 0.00770 -0.03145 -0.15585 0.03353 79 4YZ 0.12888 -0.05695 -0.06723 0.03009 -0.01965 80 8 H 1S -0.01362 0.10268 0.05898 -0.24376 0.04621 81 2S 0.03302 0.14203 0.06952 -0.38016 0.11101 82 9 H 1S -0.01357 -0.10256 0.05908 0.24377 0.04602 83 2S 0.03329 -0.14207 0.06983 0.38034 0.11070 84 10 C 1S -0.00005 -0.03417 0.00420 0.00385 0.00339 85 2S -0.06346 -0.63093 -0.15327 0.09938 -0.13750 86 2PX 0.05032 -0.00837 -0.08894 0.03792 -0.19639 87 2PY -0.06090 -0.00118 -0.08887 0.00141 -0.07032 88 2PZ -0.08114 -0.14281 -0.10373 0.05474 -0.03982 89 3S -0.34252 4.16513 -0.46551 -1.29777 -0.48047 90 3PX 0.08373 1.46193 0.14999 -0.99530 0.18008 91 3PY 0.50073 2.49383 0.53970 0.16393 0.59555 92 3PZ 0.27755 2.11299 0.14270 -1.13870 0.31898 93 4XX -0.21139 -0.12296 0.07432 -0.14263 0.17059 94 4YY 0.00854 0.00996 0.00941 0.01632 -0.07035 95 4ZZ 0.16891 0.11246 -0.07828 0.12421 -0.07494 96 4XY -0.03955 -0.01266 -0.09506 -0.01607 0.42475 97 4XZ 0.00128 -0.00775 -0.00427 -0.04650 0.09820 98 4YZ -0.03349 0.02789 0.17962 -0.03413 -0.26616 99 11 C 1S 0.00003 0.03418 0.00419 -0.00385 0.00340 100 2S -0.06197 0.63123 -0.15367 -0.09938 -0.13747 101 2PX 0.05033 0.00822 -0.08898 -0.03802 -0.19639 102 2PY 0.06092 -0.00139 0.08891 0.00148 0.07039 103 2PZ -0.08083 0.14305 -0.10383 -0.05480 -0.03977 104 3S -0.35302 -4.16446 -0.46426 1.29709 -0.48141 105 3PX 0.08012 -1.46197 0.15044 0.99528 0.17946 106 3PY -0.49479 2.49581 -0.54073 0.16320 -0.59547 107 3PZ 0.27237 -2.11374 0.14335 1.13884 0.31835 108 4XX -0.21108 0.12373 0.07429 0.14263 0.17044 109 4YY 0.00849 -0.00992 0.00942 -0.01635 -0.07030 110 4ZZ 0.16863 -0.11319 -0.07828 -0.12414 -0.07485 111 4XY 0.03954 -0.01268 0.09504 -0.01637 -0.42480 112 4XZ 0.00130 0.00789 -0.00432 0.04652 0.09816 113 4YZ 0.03354 0.02759 -0.17961 -0.03397 0.26611 114 12 C 1S -0.00106 -0.00084 -0.03063 0.03113 -0.00608 115 2S 0.01581 -0.20952 -0.35369 0.64127 0.04244 116 2PX 0.04995 -0.19432 -0.06781 0.11833 -0.00952 117 2PY -0.07896 0.06714 -0.03643 -0.04190 -0.03938 118 2PZ -0.00594 -0.09654 0.03729 -0.03273 0.02641 119 3S -0.01970 2.14058 1.31244 -2.40588 -0.17745 120 3PX -0.27394 0.16779 -0.12658 0.12797 -0.23782 121 3PY 0.49246 -1.88789 0.33181 0.76020 0.54511 122 3PZ -0.38698 0.68961 0.03784 0.54781 -0.83998 123 4XX 0.14736 -0.03061 -0.03533 -0.20757 0.05015 124 4YY -0.04475 0.07795 0.03743 0.07438 0.00711 125 4ZZ -0.11631 -0.00316 -0.03372 0.14438 -0.06456 126 4XY -0.01063 -0.03768 -0.25412 -0.00253 -0.01531 127 4XZ 0.10687 -0.01963 0.18618 -0.00473 0.01444 128 4YZ -0.10237 0.14881 0.08575 0.09060 0.06501 129 13 C 1S -0.00877 0.01126 0.02547 0.00801 -0.01520 130 2S -0.07668 0.10885 0.31937 0.14596 -0.17875 131 2PX -0.11632 0.14134 -0.01984 -0.00554 -0.05064 132 2PY -0.01536 0.00998 -0.01876 -0.03491 0.04838 133 2PZ -0.02672 0.05522 0.00838 -0.10765 -0.09700 134 3S 0.60400 -1.66380 -0.92379 0.13082 0.98816 135 3PX 0.27223 -0.75709 0.16034 0.29074 0.03770 136 3PY 0.14060 0.05613 -0.25683 -0.06395 0.19484 137 3PZ -0.15492 0.73110 0.07756 -0.12540 -0.26377 138 4XX -0.08170 0.09659 -0.16001 -0.01248 0.03922 139 4YY -0.02740 0.00418 0.03122 0.01740 0.05399 140 4ZZ 0.09943 -0.10379 0.15502 0.01150 -0.09883 141 4XY 0.16099 -0.02426 0.28768 -0.04552 0.05581 142 4XZ -0.09815 0.01811 -0.20218 0.06223 -0.13133 143 4YZ -0.04301 0.01005 -0.06548 -0.02541 -0.19127 144 14 C 1S -0.00881 -0.01123 0.02546 -0.00801 -0.01517 145 2S -0.07704 -0.10908 0.31943 -0.14576 -0.17837 146 2PX -0.11655 -0.14114 -0.01971 0.00554 -0.05067 147 2PY 0.01542 0.00976 0.01878 -0.03491 -0.04835 148 2PZ -0.02693 -0.05487 0.00830 0.10758 -0.09710 149 3S 0.60871 1.66164 -0.92390 -0.13106 0.98742 150 3PX 0.27330 0.75645 0.15951 -0.29061 0.03770 151 3PY -0.13995 0.05749 0.25727 -0.06408 -0.19491 152 3PZ -0.15629 -0.73091 0.07825 0.12542 -0.26388 153 4XX -0.08192 -0.09638 -0.16002 0.01250 0.03911 154 4YY -0.02743 -0.00407 0.03116 -0.01736 0.05391 155 4ZZ 0.09968 0.10346 0.15508 -0.01154 -0.09863 156 4XY -0.16102 -0.02387 -0.28760 -0.04553 -0.05578 157 4XZ -0.09809 -0.01785 -0.20209 -0.06229 -0.13138 158 4YZ 0.04306 0.00989 0.06549 -0.02529 0.19130 159 15 C 1S -0.00106 0.00078 -0.03063 -0.03115 -0.00606 160 2S 0.01627 0.20854 -0.35365 -0.64138 0.04287 161 2PX 0.05037 0.19398 -0.06788 -0.11831 -0.00944 162 2PY 0.07922 0.06689 0.03655 -0.04191 0.03944 163 2PZ -0.00569 0.09659 0.03728 0.03274 0.02641 164 3S -0.02466 -2.13780 1.31319 2.40638 -0.17871 165 3PX -0.27394 -0.16682 -0.12610 -0.12812 -0.23801 166 3PY -0.49759 -1.88677 -0.33201 0.76041 -0.54554 167 3PZ -0.38864 -0.68848 0.03814 -0.54806 -0.83968 168 4XX 0.14746 0.03000 -0.03524 0.20764 0.05017 169 4YY -0.04505 -0.07784 0.03736 -0.07444 0.00717 170 4ZZ -0.11623 0.00358 -0.03373 -0.14440 -0.06462 171 4XY 0.01038 -0.03764 0.25405 -0.00266 0.01535 172 4XZ 0.10687 0.01943 0.18616 0.00467 0.01450 173 4YZ 0.10274 0.14828 -0.08582 0.09067 -0.06500 174 16 H 1S 0.17083 0.44231 0.09229 -0.12971 0.09594 175 2S 0.18712 0.85195 0.23689 -0.35036 0.29650 176 17 H 1S 0.16977 -0.44289 0.09246 0.12975 0.09588 177 2S 0.18515 -0.85264 0.23725 0.35056 0.29630 178 18 H 1S -0.06427 0.25053 -0.19611 0.00854 -0.13870 179 2S -0.21943 0.43223 -0.27297 -0.00665 -0.19649 180 19 H 1S -0.01733 0.18264 0.06168 0.03244 -0.07643 181 2S -0.28440 0.32842 0.15925 -0.17291 -0.09890 182 20 H 1S -0.01768 -0.18240 0.06180 -0.03253 -0.07632 183 2S -0.28518 -0.32793 0.15952 0.17307 -0.09892 184 21 H 1S -0.06505 -0.25076 -0.19622 -0.00861 -0.13874 185 2S -0.22075 -0.43214 -0.27315 0.00664 -0.19659 186 22 H 1S -0.01890 -0.13079 0.14756 0.17149 -0.01197 187 2S 0.07825 -0.20096 0.12162 0.03238 -0.03457 188 23 H 1S -0.01872 0.13085 0.14742 -0.17139 -0.01183 189 2S 0.07841 0.20101 0.12129 -0.03231 -0.03448 126 127 128 129 130 V V V V V Eigenvalues -- 1.58530 1.63999 1.66109 1.72044 1.72342 1 1 C 1S 0.04041 0.01150 0.02962 0.00005 0.02804 2 2S 0.60445 0.17811 0.43681 -0.07017 0.23448 3 2PX -0.05273 -0.03004 -0.15245 0.05058 -0.06214 4 2PY -0.06546 0.02312 -0.05150 -0.06819 -0.02255 5 2PZ 0.00401 -0.03319 0.03689 -0.00795 0.05293 6 3S -1.95212 -0.16104 -1.51052 0.29835 -1.27049 7 3PX -0.02000 0.73279 0.44821 0.16624 -0.10983 8 3PY 0.80043 -0.35712 0.20489 0.04279 0.70114 9 3PZ -0.31275 0.42177 0.50440 0.12419 0.00432 10 4XX -0.13150 -0.09399 0.25052 0.00260 0.10734 11 4YY 0.01154 0.00611 0.00871 0.02814 -0.02754 12 4ZZ 0.14566 0.11780 -0.23977 -0.03000 -0.03010 13 4XY -0.13909 -0.06844 0.04779 0.04203 0.33938 14 4XZ -0.05062 0.04515 -0.06149 0.05975 -0.19639 15 4YZ 0.14719 0.01667 0.15471 0.04131 -0.13425 16 2 O 1S -0.00354 0.02180 -0.00015 0.05705 -0.00343 17 2S -0.06710 0.45284 -0.05962 0.81992 0.01156 18 2PX 0.13679 -0.07079 0.01651 0.03079 0.04639 19 2PY 0.08826 0.04999 -0.02750 0.07802 0.15155 20 2PZ 0.12576 -0.05569 0.10643 -0.02439 0.07605 21 3S 0.23674 -1.24106 0.04538 -2.75024 0.08516 22 3PX -0.73364 0.36003 -0.25334 -0.19625 -0.55438 23 3PY -0.42510 -0.15265 -0.05207 -0.89495 -0.48515 24 3PZ -0.60152 0.22899 -0.24529 -0.12155 -0.58474 25 4XX 0.00875 0.20348 -0.27272 0.14542 0.00318 26 4YY -0.08102 0.11506 0.10910 0.38286 -0.10140 27 4ZZ 0.02454 -0.01750 0.14051 0.03601 0.11405 28 4XY -0.01820 -0.13342 0.15337 -0.04216 0.14750 29 4XZ -0.05819 0.10997 0.01007 0.24462 -0.08087 30 4YZ 0.08770 0.15768 -0.29336 0.07017 0.05622 31 3 C 1S -0.04133 0.00001 0.00000 -0.05842 -0.02186 32 2S -0.49553 0.00016 -0.00009 -0.84477 -0.20547 33 2PX 0.01205 -0.00001 -0.00001 -0.02717 -0.06458 34 2PY 0.00004 -0.01602 -0.08176 0.00004 0.00005 35 2PZ -0.09207 0.00004 -0.00002 -0.07426 -0.13702 36 3S 2.24346 -0.00071 0.00041 3.62641 1.60175 37 3PX -0.26798 0.00010 -0.00008 -0.60178 -0.20751 38 3PY 0.00009 0.03152 -0.23335 0.00015 0.00009 39 3PZ -0.11180 0.00003 -0.00013 -0.76174 0.11028 40 4XX 0.02131 -0.00002 -0.00002 -0.00165 -0.11156 41 4YY 0.05037 -0.00001 0.00002 0.14110 0.23130 42 4ZZ -0.03712 0.00002 0.00000 -0.11796 -0.09494 43 4XY -0.00004 0.03201 -0.10564 -0.00003 -0.00001 44 4XZ -0.01874 0.00004 0.00000 0.19814 -0.22667 45 4YZ 0.00004 -0.04261 0.13029 0.00004 0.00003 46 4 C 1S 0.04040 -0.01154 -0.02963 0.00005 0.02806 47 2S 0.60421 -0.17856 -0.43702 -0.07020 0.23466 48 2PX -0.05267 0.03007 0.15245 0.05056 -0.06215 49 2PY 0.06552 0.02310 -0.05145 0.06822 0.02264 50 2PZ 0.00408 0.03320 -0.03688 -0.00798 0.05289 51 3S -1.95110 0.16257 1.51100 0.29875 -1.27112 52 3PX -0.02042 -0.73278 -0.44817 0.16663 -0.10958 53 3PY -0.80112 -0.35647 0.20500 -0.04328 -0.70162 54 3PZ -0.31340 -0.42163 -0.50423 0.12482 0.00468 55 4XX -0.13149 0.09406 -0.25047 0.00266 0.10740 56 4YY 0.01158 -0.00610 -0.00873 0.02816 -0.02761 57 4ZZ 0.14558 -0.11794 0.23972 -0.03005 -0.03004 58 4XY 0.13904 -0.06846 0.04769 -0.04209 -0.33943 59 4XZ -0.05058 -0.04508 0.06153 0.05969 -0.19656 60 4YZ -0.14716 0.01675 0.15471 -0.04133 0.13420 61 5 H 1S -0.18728 0.00007 -0.00001 -0.12630 -0.17722 62 2S -0.33605 0.00008 -0.00002 -0.33210 -0.27343 63 6 H 1S -0.23758 0.00009 -0.00002 -0.28523 -0.09788 64 2S -0.17537 0.00004 -0.00003 -0.31568 -0.10284 65 7 O 1S -0.00354 -0.02179 0.00017 0.05705 -0.00343 66 2S -0.06716 -0.45273 0.05986 0.82002 0.01152 67 2PX 0.13682 0.07068 -0.01650 0.03081 0.04640 68 2PY -0.08830 0.05005 -0.02751 -0.07801 -0.15152 69 2PZ 0.12580 0.05562 -0.10646 -0.02440 0.07604 70 3S 0.23703 1.24070 -0.04627 -2.75076 0.08512 71 3PX -0.73382 -0.35947 0.25333 -0.19624 -0.55453 72 3PY 0.42532 -0.15288 -0.05183 0.89509 0.48531 73 3PZ -0.60165 -0.22859 0.24531 -0.12138 -0.58483 74 4XX 0.00868 -0.20352 0.27273 0.14537 0.00309 75 4YY -0.08099 -0.11501 -0.10888 0.38297 -0.10129 76 4ZZ 0.02452 0.01756 -0.14056 0.03604 0.11404 77 4XY 0.01823 -0.13342 0.15334 0.04209 -0.14749 78 4XZ -0.05821 -0.10990 -0.00993 0.24460 -0.08102 79 4YZ -0.08771 0.15774 -0.29334 -0.07000 -0.05618 80 8 H 1S 0.16762 -0.00476 -0.34683 -0.04703 0.33507 81 2S 0.33024 -0.10426 -0.44357 0.02302 0.31121 82 9 H 1S 0.16771 0.00461 0.34685 -0.04717 0.33486 83 2S 0.33039 0.10399 0.44355 0.02269 0.31077 84 10 C 1S 0.00886 -0.01622 -0.01319 0.00181 0.00715 85 2S 0.08471 -0.44156 -0.29765 0.04330 0.01895 86 2PX -0.01940 -0.14542 -0.08121 0.00716 -0.00718 87 2PY -0.03678 -0.02993 0.00644 0.10089 0.03034 88 2PZ -0.01437 -0.03085 -0.01757 -0.01864 -0.04836 89 3S -0.58773 1.82330 1.23417 0.06817 -0.30096 90 3PX -0.22953 1.09059 0.48686 -0.06823 -0.19700 91 3PY 0.24776 0.85212 0.67215 -0.29154 -0.08712 92 3PZ -0.11417 1.25700 0.61044 -0.08959 -0.08364 93 4XX -0.04479 0.24402 0.08629 -0.01705 -0.17760 94 4YY 0.03283 -0.01246 0.00086 -0.09011 -0.00054 95 4ZZ 0.04292 -0.20712 -0.08503 0.11971 0.20285 96 4XY 0.07917 0.01585 -0.01734 -0.12177 -0.03215 97 4XZ 0.03924 -0.06685 -0.03820 -0.04699 -0.02550 98 4YZ 0.04076 0.09576 0.05267 0.01506 0.00591 99 11 C 1S 0.00886 0.01621 0.01319 0.00180 0.00714 100 2S 0.08478 0.44151 0.29761 0.04305 0.01893 101 2PX -0.01926 0.14541 0.08119 0.00712 -0.00712 102 2PY 0.03671 -0.02995 0.00642 -0.10093 -0.03032 103 2PZ -0.01439 0.03088 0.01756 -0.01867 -0.04832 104 3S -0.58680 -1.82285 -1.23409 0.06979 -0.30095 105 3PX -0.22993 -1.09010 -0.48661 -0.06748 -0.19702 106 3PY -0.24857 0.85246 0.67225 0.29107 0.08724 107 3PZ -0.11431 -1.25665 -0.61020 -0.08877 -0.08374 108 4XX -0.04512 -0.24388 -0.08627 -0.01700 -0.17765 109 4YY 0.03290 0.01239 -0.00089 -0.09012 -0.00053 110 4ZZ 0.04317 0.20702 0.08504 0.11970 0.20293 111 4XY -0.07910 0.01588 -0.01732 0.12178 0.03216 112 4XZ 0.03927 0.06686 0.03819 -0.04704 -0.02558 113 4YZ -0.04069 0.09581 0.05269 -0.01509 -0.00591 114 12 C 1S -0.06584 0.00888 0.02091 -0.00380 -0.00655 115 2S -0.86138 0.21324 0.24322 0.00582 -0.14053 116 2PX -0.12194 0.04613 0.02962 0.01770 0.00300 117 2PY -0.03391 -0.05603 -0.01736 -0.01745 0.04921 118 2PZ 0.06050 -0.11514 -0.03245 0.09042 -0.03198 119 3S 2.89461 0.69999 -0.02519 0.21356 0.44761 120 3PX 0.56275 -0.18157 -0.19375 0.07347 0.04848 121 3PY 0.24695 -0.40103 -0.29750 -0.31100 -0.56063 122 3PZ 0.09271 0.11805 0.17420 0.12380 -0.11843 123 4XX 0.01476 0.21309 0.09796 0.05644 0.09150 124 4YY -0.05884 -0.01229 0.03552 -0.02373 -0.08413 125 4ZZ -0.01480 -0.20044 -0.09828 -0.01144 0.00680 126 4XY 0.13110 0.18227 0.08475 0.04357 0.02074 127 4XZ -0.08615 0.04663 -0.01104 -0.09248 -0.04632 128 4YZ -0.10425 -0.21155 -0.09608 0.16260 -0.01184 129 13 C 1S 0.02590 0.00193 0.01448 0.01471 0.00475 130 2S 0.33614 0.04595 0.26297 0.19186 0.08386 131 2PX 0.02978 0.06849 0.04864 0.04067 0.00010 132 2PY 0.00504 -0.00558 0.01057 0.07056 -0.04899 133 2PZ 0.05335 -0.03428 -0.02592 -0.06381 -0.05724 134 3S -1.44906 -0.34871 -0.94785 -0.58020 -0.14330 135 3PX 0.02070 -0.41046 -0.21786 -0.11537 0.01436 136 3PY -0.48970 0.20976 0.30305 -0.12983 0.17242 137 3PZ 0.32268 0.20091 0.00161 0.24883 0.19684 138 4XX -0.03716 0.00065 -0.00063 -0.04806 0.08653 139 4YY 0.01471 -0.02183 -0.01093 0.20144 0.05161 140 4ZZ 0.03350 0.01297 0.01292 -0.13259 -0.14714 141 4XY -0.00065 0.05655 0.00546 0.04800 -0.05440 142 4XZ 0.12914 0.07509 0.04101 -0.07496 -0.04506 143 4YZ 0.21143 0.06631 0.06005 0.10786 -0.20440 144 14 C 1S 0.02593 -0.00195 -0.01448 0.01468 0.00466 145 2S 0.33644 -0.04622 -0.26305 0.19155 0.08267 146 2PX 0.02974 -0.06850 -0.04865 0.04068 0.00011 147 2PY -0.00507 -0.00565 0.01055 -0.07055 0.04906 148 2PZ 0.05336 0.03426 0.02590 -0.06376 -0.05716 149 3S -1.45078 0.34990 0.94826 -0.57938 -0.13897 150 3PX 0.02147 0.41022 0.21780 -0.11526 0.01409 151 3PY 0.48955 0.20962 0.30297 0.12982 -0.17173 152 3PZ 0.32313 -0.20138 -0.00170 0.24872 0.19636 153 4XX -0.03703 -0.00069 0.00057 -0.04805 0.08645 154 4YY 0.01482 0.02180 0.01095 0.20148 0.05157 155 4ZZ 0.03328 -0.01290 -0.01288 -0.13266 -0.14704 156 4XY 0.00071 0.05658 0.00544 -0.04797 0.05437 157 4XZ 0.12914 -0.07523 -0.04112 -0.07498 -0.04523 158 4YZ -0.21144 0.06644 0.06014 -0.10780 0.20457 159 15 C 1S -0.06585 -0.00882 -0.02090 -0.00380 -0.00653 160 2S -0.86171 -0.21250 -0.24300 0.00580 -0.14037 161 2PX -0.12203 -0.04605 -0.02962 0.01772 0.00295 162 2PY 0.03378 -0.05601 -0.01734 0.01736 -0.04925 163 2PZ 0.06056 0.11514 0.03246 0.09037 -0.03209 164 3S 2.89524 -0.70239 0.02445 0.21407 0.44622 165 3PX 0.56283 0.18109 0.19355 0.07319 0.04827 166 3PY -0.24598 -0.40146 -0.29767 0.31158 0.56040 167 3PZ 0.09329 -0.11832 -0.17435 0.12365 -0.11877 168 4XX 0.01445 -0.21305 -0.09791 0.05643 0.09141 169 4YY -0.05874 0.01235 -0.03551 -0.02362 -0.08412 170 4ZZ -0.01455 0.20038 0.09822 -0.01154 0.00681 171 4XY -0.13096 0.18249 0.08482 -0.04367 -0.02079 172 4XZ -0.08634 -0.04651 0.01112 -0.09251 -0.04613 173 4YZ 0.10396 -0.21172 -0.09616 -0.16258 0.01175 174 16 H 1S -0.02223 0.27185 0.14158 -0.03426 -0.03784 175 2S 0.01967 0.52936 0.24160 -0.09412 -0.04118 176 17 H 1S -0.02226 -0.27175 -0.14152 -0.03411 -0.03784 177 2S 0.01962 -0.52927 -0.24151 -0.09385 -0.04123 178 18 H 1S -0.40063 -0.01162 0.04647 0.09514 0.09155 179 2S -0.42934 0.12559 0.12481 0.08774 0.24739 180 19 H 1S 0.10229 0.11403 0.05488 0.01352 0.05463 181 2S 0.14291 0.01885 0.21779 0.17267 -0.08158 182 20 H 1S 0.10231 -0.11415 -0.05488 0.01334 0.05438 183 2S 0.14280 -0.01873 -0.21783 0.17273 -0.08178 184 21 H 1S -0.40045 0.01185 -0.04640 0.09516 0.09163 185 2S -0.42907 -0.12550 -0.12481 0.08797 0.24743 186 22 H 1S 0.13087 -0.04108 0.04353 0.00961 0.03410 187 2S 0.13295 -0.18523 -0.02267 -0.03753 -0.05565 188 23 H 1S 0.13103 0.04094 -0.04357 0.00952 0.03376 189 2S 0.13315 0.18516 0.02264 -0.03757 -0.05600 131 132 133 134 135 V V V V V Eigenvalues -- 1.75845 1.77089 1.79419 1.86001 1.87778 1 1 C 1S -0.00438 0.00093 -0.01066 0.00721 0.01816 2 2S 0.02511 -0.01290 -0.11722 0.15387 0.34244 3 2PX -0.00488 -0.01379 -0.05844 -0.03458 0.09213 4 2PY 0.10171 -0.04666 -0.07249 0.00406 -0.02089 5 2PZ 0.09577 -0.03151 -0.02693 0.01799 0.19957 6 3S -0.55926 0.02121 -0.05556 -0.62404 -0.43752 7 3PX -0.66875 0.11355 0.00094 -0.02058 -0.01797 8 3PY -0.83855 0.08819 0.39908 -0.30303 0.01140 9 3PZ -0.98662 0.07820 0.28766 -0.09392 -0.18475 10 4XX 0.00615 0.01903 0.05972 0.01996 -0.08685 11 4YY 0.01857 0.02046 -0.03289 -0.00554 0.11511 12 4ZZ -0.08156 -0.05417 -0.03532 -0.03318 -0.06621 13 4XY -0.10622 0.07397 0.16397 -0.04416 -0.20454 14 4XZ 0.09140 0.07367 -0.11059 -0.00119 -0.13707 15 4YZ -0.02592 0.05061 0.00501 0.04273 -0.26332 16 2 O 1S -0.01604 0.02680 0.00079 -0.00054 0.00938 17 2S -0.12742 0.43377 0.07323 0.01527 0.12939 18 2PX -0.01724 0.01197 -0.05326 -0.01835 0.00222 19 2PY 0.04208 0.02616 0.06271 0.00843 0.03904 20 2PZ 0.02559 -0.01222 0.00890 0.00859 0.05849 21 3S 0.74902 -1.41981 -0.10881 0.04154 -0.41748 22 3PX -0.01992 -0.14221 -0.02432 -0.00796 0.09677 23 3PY 0.13123 -0.46525 -0.19558 0.00546 -0.16550 24 3PZ 0.02630 -0.09740 -0.15998 -0.01408 -0.09817 25 4XX 0.00920 0.05154 -0.01738 -0.02087 0.00732 26 4YY -0.16020 0.18230 -0.03371 0.01699 0.08542 27 4ZZ 0.01581 0.03330 0.09923 0.00421 0.00957 28 4XY 0.02326 -0.06692 0.12527 -0.00419 0.02808 29 4XZ 0.13666 0.16398 0.01423 0.05742 -0.07921 30 4YZ 0.05577 0.10453 -0.00221 0.01808 -0.15675 31 3 C 1S 0.00000 -0.02977 0.01146 0.00001 -0.03005 32 2S -0.00001 -0.45859 0.14949 0.00005 -0.28461 33 2PX 0.00002 0.02920 -0.09250 0.00002 0.07303 34 2PY 0.10023 -0.00003 -0.00008 0.01890 0.00004 35 2PZ 0.00000 -0.06274 -0.04585 -0.00001 0.02806 36 3S 0.00003 1.87822 0.00901 -0.00044 0.93820 37 3PX -0.00003 -0.31824 0.12492 0.00025 -0.72130 38 3PY 0.19503 -0.00002 -0.00017 -0.01325 0.00005 39 3PZ -0.00006 -0.47317 0.13215 -0.00006 0.04946 40 4XX 0.00000 0.03862 -0.15257 0.00000 0.15350 41 4YY 0.00006 0.15517 0.19578 0.00016 -0.39593 42 4ZZ -0.00006 -0.17952 -0.04509 -0.00017 0.27177 43 4XY -0.09812 0.00004 0.00005 -0.03607 -0.00008 44 4XZ 0.00000 0.05055 -0.12548 -0.00008 0.20777 45 4YZ 0.00609 0.00004 0.00006 0.06809 -0.00008 46 4 C 1S 0.00437 0.00094 -0.01068 -0.00722 0.01815 47 2S -0.02507 -0.01281 -0.11727 -0.15437 0.34196 48 2PX 0.00476 -0.01381 -0.05846 0.03452 0.09226 49 2PY 0.10182 0.04658 0.07231 0.00401 0.02097 50 2PZ -0.09579 -0.03142 -0.02684 -0.01821 0.19955 51 3S 0.55933 0.02038 -0.05559 0.62482 -0.43616 52 3PX 0.66895 0.11298 0.00026 0.02071 -0.01794 53 3PY -0.83891 -0.08740 -0.39866 -0.30277 -0.01136 54 3PZ 0.98656 0.07733 0.28681 0.09403 -0.18476 55 4XX -0.00618 0.01906 0.05966 -0.01983 -0.08681 56 4YY -0.01849 0.02049 -0.03282 0.00548 0.11498 57 4ZZ 0.08142 -0.05429 -0.03540 0.03315 -0.06604 58 4XY -0.10616 -0.07389 -0.16381 -0.04431 0.20432 59 4XZ -0.09130 0.07371 -0.11050 0.00145 -0.13700 60 4YZ -0.02611 -0.05059 -0.00494 0.04257 0.26341 61 5 H 1S 0.00005 -0.00292 0.01399 0.00021 -0.36280 62 2S 0.00003 -0.09472 -0.09017 0.00005 -0.08658 63 6 H 1S -0.00001 -0.20713 0.07898 -0.00002 -0.03280 64 2S 0.00001 -0.14020 -0.06812 -0.00004 0.20164 65 7 O 1S 0.01605 0.02679 0.00077 0.00054 0.00940 66 2S 0.12761 0.43370 0.07289 -0.01537 0.12952 67 2PX 0.01719 0.01194 -0.05322 0.01838 0.00220 68 2PY 0.04211 -0.02621 -0.06274 0.00853 -0.03891 69 2PZ -0.02562 -0.01219 0.00889 -0.00866 0.05844 70 3S -0.74959 -1.41920 -0.10766 -0.04144 -0.41811 71 3PX 0.02004 -0.14223 -0.02439 0.00799 0.09693 72 3PY 0.13136 0.46519 0.19540 0.00522 0.16542 73 3PZ -0.02618 -0.09732 -0.15987 0.01433 -0.09802 74 4XX -0.00926 0.05152 -0.01733 0.02090 0.00730 75 4YY 0.16026 0.18221 -0.03406 -0.01703 0.08569 76 4ZZ -0.01571 0.03331 0.09926 -0.00427 0.00946 77 4XY 0.02332 0.06686 -0.12537 -0.00408 -0.02789 78 4XZ -0.13649 0.16414 0.01429 -0.05725 -0.07936 79 4YZ 0.05581 -0.10452 0.00209 0.01790 0.15684 80 8 H 1S 0.17720 -0.04778 0.09545 -0.00928 0.26061 81 2S 0.60113 0.10175 0.21654 0.01289 -0.08194 82 9 H 1S -0.17730 -0.04767 0.09557 0.00905 0.26084 83 2S -0.60100 0.10224 0.21709 -0.01296 -0.08176 84 10 C 1S 0.01121 0.00161 0.00062 0.01332 0.01749 85 2S 0.12795 -0.04620 0.03936 -0.04286 0.13387 86 2PX -0.01438 0.02880 0.06886 -0.03681 0.04030 87 2PY 0.00453 -0.10434 -0.07965 -0.10485 0.01527 88 2PZ -0.01998 0.05754 0.12895 -0.06138 0.05683 89 3S -0.66146 0.03787 0.15136 -1.12860 -0.50270 90 3PX -0.42122 -0.01446 0.38245 -0.36606 -0.20991 91 3PY -0.18819 0.12046 0.49030 -0.44259 0.04650 92 3PZ -0.38487 -0.05044 0.43190 -0.50683 -0.15014 93 4XX -0.00175 -0.02478 0.17804 -0.03275 0.00838 94 4YY -0.01876 0.17841 -0.02466 -0.12599 0.01553 95 4ZZ -0.02495 -0.15693 -0.15849 0.13243 0.04059 96 4XY -0.03982 0.08699 0.00660 0.05161 0.00716 97 4XZ 0.11752 -0.10993 -0.22748 0.01537 -0.28997 98 4YZ 0.01836 0.01902 -0.20111 -0.00359 -0.00601 99 11 C 1S -0.01122 0.00162 0.00062 -0.01335 0.01747 100 2S -0.12821 -0.04603 0.03929 0.04241 0.13393 101 2PX 0.01443 0.02879 0.06882 0.03659 0.04034 102 2PY 0.00485 0.10435 0.07950 -0.10489 -0.01546 103 2PZ 0.02014 0.05755 0.12894 0.06119 0.05692 104 3S 0.66209 0.03661 0.15297 1.12960 -0.50120 105 3PX 0.42204 -0.01511 0.38282 0.36608 -0.20943 106 3PY -0.18956 -0.11991 -0.49117 -0.44216 -0.04667 107 3PZ 0.38582 -0.05122 0.43268 0.50660 -0.14959 108 4XX 0.00203 -0.02477 0.17811 0.03254 0.00840 109 4YY 0.01891 0.17839 -0.02464 0.12612 0.01571 110 4ZZ 0.02451 -0.15698 -0.15861 -0.13249 0.04040 111 4XY -0.04003 -0.08691 -0.00651 0.05160 -0.00700 112 4XZ -0.11786 -0.10981 -0.22732 -0.01458 -0.28997 113 4YZ 0.01857 -0.01897 0.20115 -0.00363 0.00605 114 12 C 1S -0.02082 0.00894 0.01307 0.01184 -0.00027 115 2S -0.21939 -0.15001 0.42540 -0.02974 -0.08276 116 2PX 0.01549 -0.10630 0.05178 -0.04967 -0.09438 117 2PY -0.08137 0.01627 -0.17800 0.05552 -0.03120 118 2PZ 0.16310 -0.16024 0.07976 -0.02022 -0.01131 119 3S 1.44322 0.16595 -1.04348 -0.80886 0.31480 120 3PX 0.50954 0.19337 0.05057 0.53080 0.05506 121 3PY -0.00162 -0.12669 1.24089 0.64340 -0.40436 122 3PZ 0.64791 0.22883 -0.24932 -0.03697 -0.19183 123 4XX 0.03787 0.00107 0.03388 -0.00860 0.15834 124 4YY -0.00260 -0.04570 -0.07290 0.12223 -0.12107 125 4ZZ 0.01896 0.08845 0.02356 -0.11675 0.04437 126 4XY -0.13115 -0.12423 -0.15878 -0.36417 -0.14626 127 4XZ -0.14275 0.03967 -0.01926 0.33704 -0.15190 128 4YZ -0.03612 -0.24404 0.06028 -0.09700 0.01481 129 13 C 1S 0.12517 -0.00040 -0.00853 -0.00077 -0.00966 130 2S 1.56368 0.14080 -0.14262 -0.27126 -0.08535 131 2PX 0.02244 0.05757 0.02214 0.12185 0.03207 132 2PY 0.06203 -0.22716 0.09260 0.00459 -0.05462 133 2PZ -0.12563 0.09404 0.00635 0.05121 0.02303 134 3S -5.60474 -0.22203 0.62156 0.87229 0.29422 135 3PX -0.03142 -0.14676 -0.25723 -1.41125 -0.03044 136 3PY 0.91696 0.24855 -0.20241 -0.29295 0.22966 137 3PZ 0.81707 0.02733 -0.31852 -0.05393 0.08177 138 4XX 0.02079 0.10456 -0.10931 -0.23056 0.11881 139 4YY -0.02781 -0.30971 -0.03432 -0.03623 -0.07208 140 4ZZ 0.05513 0.19210 0.16320 0.28334 -0.03553 141 4XY -0.00588 -0.11450 0.01457 0.26245 0.02228 142 4XZ 0.08605 0.09072 0.10685 0.01461 -0.06952 143 4YZ 0.13273 -0.16749 0.36412 0.03445 -0.02343 144 14 C 1S -0.12519 -0.00029 -0.00839 0.00080 -0.00964 145 2S -1.56393 0.14216 -0.14068 0.27163 -0.08470 146 2PX -0.02244 0.05763 0.02201 -0.12189 0.03188 147 2PY 0.06202 0.22710 -0.09270 0.00468 0.05460 148 2PZ 0.12579 0.09398 0.00624 -0.05123 0.02293 149 3S 5.60587 -0.22676 0.61402 -0.87354 0.29218 150 3PX 0.03081 -0.14712 -0.25541 1.41139 -0.02834 151 3PY 0.91735 -0.24950 0.20124 -0.29276 -0.23027 152 3PZ -0.81759 0.02791 -0.31758 0.05391 0.08198 153 4XX -0.02103 0.10451 -0.10899 0.23052 0.11910 154 4YY 0.02742 -0.30980 -0.03423 0.03638 -0.07205 155 4ZZ -0.05449 0.19227 0.16282 -0.28349 -0.03586 156 4XY -0.00568 0.11443 -0.01430 0.26270 -0.02194 157 4XZ -0.08586 0.09079 0.10718 -0.01467 -0.06961 158 4YZ 0.13232 0.16723 -0.36440 0.03507 0.02338 159 15 C 1S 0.02083 0.00893 0.01302 -0.01184 -0.00030 160 2S 0.21977 -0.15006 0.42500 0.02932 -0.08292 161 2PX -0.01567 -0.10627 0.05185 0.04978 -0.09433 162 2PY -0.08105 -0.01615 0.17806 0.05530 0.03130 163 2PZ -0.16315 -0.16007 0.07991 0.02011 -0.01120 164 3S -1.44464 0.16650 -1.04005 0.80940 0.31664 165 3PX -0.50912 0.19388 0.05027 -0.53063 0.05445 166 3PY -0.00402 0.12636 -1.23967 0.64399 0.40516 167 3PZ -0.64821 0.22926 -0.24853 0.03788 -0.19181 168 4XX -0.03787 0.00116 0.03395 0.00814 0.15843 169 4YY 0.00264 -0.04582 -0.07299 -0.12196 -0.12125 170 4ZZ -0.01898 0.08852 0.02364 0.11684 0.04449 171 4XY -0.13080 0.12445 0.15846 -0.36449 0.14577 172 4XZ 0.14286 0.03969 -0.01980 -0.33670 -0.15241 173 4YZ -0.03589 0.24410 -0.06020 -0.09690 -0.01497 174 16 H 1S -0.12061 0.05690 0.39231 -0.13930 0.12559 175 2S -0.17639 0.00030 0.22475 -0.18618 -0.04277 176 17 H 1S 0.12121 0.05670 0.39245 0.13878 0.12572 177 2S 0.17697 -0.00003 0.22502 0.18599 -0.04264 178 18 H 1S -0.13486 0.06210 -0.09438 -0.13473 0.14740 179 2S -0.17839 -0.00713 -0.38271 -0.15257 0.13369 180 19 H 1S 0.43475 0.00242 -0.03730 0.28166 -0.05716 181 2S 0.33047 0.06379 0.15439 0.34543 -0.13392 182 20 H 1S -0.43472 0.00287 -0.03718 -0.28144 -0.05750 183 2S -0.33036 0.06417 0.15434 -0.34535 -0.13448 184 21 H 1S 0.13449 0.06199 -0.09445 0.13470 0.14747 185 2S 0.17742 -0.00730 -0.38264 0.15267 0.13377 186 22 H 1S 0.40221 -0.04115 -0.08498 -0.20791 -0.09670 187 2S 0.24804 -0.03887 -0.04010 -0.39225 -0.06928 188 23 H 1S -0.40239 -0.04084 -0.08425 0.20816 -0.09637 189 2S -0.24800 -0.03874 -0.03917 0.39228 -0.06867 136 137 138 139 140 V V V V V Eigenvalues -- 1.88534 1.90842 1.93562 1.95825 1.97652 1 1 C 1S -0.00834 0.01017 -0.00142 -0.01408 -0.00149 2 2S -0.12225 0.02877 0.13475 -0.13354 0.21071 3 2PX 0.01880 0.08770 -0.07047 0.06269 0.12024 4 2PY -0.18557 0.00131 -0.00897 0.04382 -0.02250 5 2PZ 0.02121 0.05416 -0.04894 -0.02411 0.07389 6 3S -0.22287 0.10124 -0.25632 0.61528 0.17566 7 3PX 0.07282 -0.01352 0.06521 0.08250 -0.17781 8 3PY -0.80624 -0.07288 -0.04001 -0.01409 -0.29261 9 3PZ -0.63153 0.06608 -0.25004 0.35392 -0.34256 10 4XX 0.00750 0.04180 -0.13789 -0.01646 -0.10740 11 4YY -0.04537 0.02477 0.08115 0.04652 0.10524 12 4ZZ 0.03295 -0.02750 0.00749 0.00816 -0.01188 13 4XY 0.27374 -0.03980 -0.00621 0.03156 0.09443 14 4XZ 0.17029 -0.17999 0.14908 -0.05905 -0.22131 15 4YZ 0.05615 -0.13134 0.22153 -0.02829 0.22525 16 2 O 1S 0.01509 0.01041 -0.01791 0.01368 -0.01447 17 2S -0.01766 0.26999 -0.24385 -0.03189 0.29001 18 2PX 0.00857 -0.05245 0.06140 -0.03517 -0.05733 19 2PY -0.21164 0.03273 -0.02571 -0.07732 0.09353 20 2PZ -0.05545 -0.00191 -0.07250 -0.09207 -0.13561 21 3S -0.17674 -0.76195 0.83171 -0.28293 -0.27899 22 3PX -0.05452 0.15236 -0.20868 0.15342 -0.06844 23 3PY 0.29765 -0.19197 0.27847 0.07037 -0.02869 24 3PZ 0.14140 -0.01408 0.20867 0.18059 0.27606 25 4XX -0.07846 0.05581 -0.05237 0.00811 -0.03641 26 4YY 0.44210 0.11110 -0.10672 0.08131 0.07373 27 4ZZ -0.29942 -0.01668 0.01180 -0.03814 0.05523 28 4XY -0.24521 0.00658 -0.11391 0.05724 -0.15989 29 4XZ -0.17130 -0.00814 -0.07742 -0.04324 -0.21516 30 4YZ -0.12694 -0.06804 0.13195 0.02405 0.12338 31 3 C 1S -0.00001 -0.01995 0.01314 -0.00002 -0.02276 32 2S -0.00013 -0.21819 0.13216 -0.00017 -0.06180 33 2PX 0.00005 0.01871 0.04899 -0.00003 -0.00808 34 2PY -0.04619 -0.00001 0.00007 0.10075 -0.00114 35 2PZ 0.00001 -0.00156 -0.00196 -0.00001 -0.03358 36 3S 0.00032 0.83136 -0.80875 0.00091 0.47130 37 3PX -0.00027 -0.40618 0.51732 -0.00045 0.37573 38 3PY -0.19170 0.00002 0.00001 -0.04591 0.00066 39 3PZ -0.00002 -0.04822 -0.11529 0.00005 -0.39536 40 4XX 0.00008 0.08994 0.10171 -0.00004 0.28097 41 4YY -0.00019 -0.16361 -0.00984 -0.00002 -0.30435 42 4ZZ 0.00012 0.09567 -0.09591 0.00008 0.02634 43 4XY 0.05572 0.00003 0.00009 0.16920 -0.00148 44 4XZ 0.00008 0.10485 -0.11035 0.00010 -0.07874 45 4YZ 0.10777 -0.00005 0.00004 0.09150 -0.00161 46 4 C 1S 0.00836 0.01018 -0.00141 0.01408 -0.00138 47 2S 0.12257 0.02922 0.13458 0.13341 0.21453 48 2PX -0.01874 0.08757 -0.07045 -0.06256 0.12006 49 2PY -0.18556 -0.00125 0.00907 0.04384 0.02209 50 2PZ -0.02111 0.05423 -0.04890 0.02421 0.07458 51 3S 0.22244 0.09910 -0.25627 -0.61509 0.16534 52 3PX -0.07285 -0.01365 0.06483 -0.08260 -0.17708 53 3PY -0.80631 0.07375 0.04032 -0.01425 0.29424 54 3PZ 0.63113 0.06508 -0.25081 -0.35353 -0.34510 55 4XX -0.00759 0.04175 -0.13778 0.01664 -0.10824 56 4YY 0.04547 0.02469 0.08116 -0.04663 0.10594 57 4ZZ -0.03299 -0.02748 0.00737 -0.00817 -0.01181 58 4XY 0.27396 0.03981 0.00611 0.03156 -0.09332 59 4XZ -0.17032 -0.17976 0.14919 0.05874 -0.22195 60 4YZ 0.05631 0.13129 -0.22152 -0.02798 -0.22537 61 5 H 1S -0.00013 -0.16461 0.21636 -0.00018 0.02257 62 2S -0.00001 -0.10734 0.17347 -0.00017 0.12476 63 6 H 1S -0.00003 -0.05476 -0.13263 0.00005 -0.38087 64 2S 0.00009 0.06044 -0.06755 0.00004 -0.19193 65 7 O 1S -0.01508 0.01040 -0.01792 -0.01365 -0.01441 66 2S 0.01773 0.26970 -0.24365 0.03237 0.28754 67 2PX -0.00857 -0.05237 0.06137 0.03507 -0.05813 68 2PY -0.21167 -0.03265 0.02569 -0.07741 -0.09227 69 2PZ 0.05543 -0.00189 -0.07238 0.09216 -0.13675 70 3S 0.17657 -0.76102 0.83168 0.28140 -0.27443 71 3PX 0.05458 0.15201 -0.20869 -0.15317 -0.06864 72 3PY 0.29773 0.19170 -0.27847 0.07098 0.02712 73 3PZ -0.14135 -0.01412 0.20844 -0.18095 0.27716 74 4XX 0.07845 0.05577 -0.05240 -0.00803 -0.03675 75 4YY -0.44199 0.11110 -0.10657 -0.08114 0.07354 76 4ZZ 0.29937 -0.01677 0.01171 0.03818 0.05487 77 4XY -0.24522 -0.00650 0.11411 0.05707 0.15835 78 4XZ 0.17118 -0.00820 -0.07729 0.04333 -0.21493 79 4YZ -0.12700 0.06814 -0.13194 0.02418 -0.12452 80 8 H 1S 0.36621 0.12214 -0.22684 0.01858 -0.25840 81 2S 0.35114 -0.04417 0.01566 -0.05892 -0.19304 82 9 H 1S -0.36607 0.12230 -0.22666 -0.01820 -0.25927 83 2S -0.35124 -0.04389 0.01604 0.05896 -0.19273 84 10 C 1S 0.00130 -0.01173 0.00809 -0.00055 0.00030 85 2S -0.06138 -0.33199 -0.05933 -0.08512 0.04762 86 2PX -0.03101 -0.04514 0.02097 -0.05784 0.01307 87 2PY -0.04199 -0.10029 -0.08212 0.17773 0.07814 88 2PZ -0.02363 0.00544 0.01653 -0.05956 0.00788 89 3S -0.13806 0.61192 -0.13704 0.17762 -0.20625 90 3PX -0.05618 0.25422 -0.13864 0.34555 0.05877 91 3PY -0.15301 0.10506 0.10854 -0.33972 -0.05131 92 3PZ -0.19345 0.21525 -0.02326 0.46799 0.09405 93 4XX 0.01903 -0.15567 -0.20997 -0.10440 0.10904 94 4YY -0.03070 0.21580 0.20240 0.01462 -0.12256 95 4ZZ -0.00115 -0.14543 0.00765 0.05823 -0.00009 96 4XY 0.03812 -0.03271 0.01409 -0.09669 -0.19703 97 4XZ 0.06250 0.12711 -0.14362 -0.11621 0.04771 98 4YZ 0.01233 -0.14870 -0.00697 -0.15039 -0.20391 99 11 C 1S -0.00129 -0.01173 0.00808 0.00054 0.00031 100 2S 0.06128 -0.33211 -0.05907 0.08539 0.04611 101 2PX 0.03100 -0.04516 0.02111 0.05788 0.01260 102 2PY -0.04194 0.10044 0.08230 0.17751 -0.07730 103 2PZ 0.02363 0.00539 0.01668 0.05959 0.00741 104 3S 0.13799 0.61165 -0.13719 -0.17786 -0.20369 105 3PX 0.05610 0.25406 -0.13908 -0.34541 0.05854 106 3PY -0.15319 -0.10524 -0.10885 -0.33952 0.04822 107 3PZ 0.19346 0.21508 -0.02386 -0.46795 0.09404 108 4XX -0.01914 -0.15562 -0.20982 0.10484 0.10954 109 4YY 0.03081 0.21565 0.20244 -0.01504 -0.12321 110 4ZZ 0.00116 -0.14532 0.00749 -0.05822 0.00008 111 4XY 0.03809 0.03264 -0.01399 -0.09661 0.19598 112 4XZ -0.06259 0.12720 -0.14347 0.11627 0.04863 113 4YZ 0.01236 0.14874 0.00677 -0.15033 0.20386 114 12 C 1S 0.00093 0.00088 -0.00048 -0.02240 0.00845 115 2S -0.06240 -0.07428 -0.00419 -0.45078 -0.14170 116 2PX -0.02050 0.03815 -0.06489 -0.04121 0.10318 117 2PY -0.06498 -0.02100 -0.06615 0.15554 0.12440 118 2PZ 0.04862 -0.01928 0.02251 -0.05139 0.06944 119 3S 0.27091 -0.14487 0.11441 1.31335 -0.14255 120 3PX 0.18412 0.20338 0.21440 -0.07926 -0.23877 121 3PY 0.21502 0.34592 -0.24165 0.16956 -0.17795 122 3PZ 0.03377 0.25686 -0.17252 0.13906 -0.16142 123 4XX 0.03815 -0.09736 0.18800 -0.25777 -0.00249 124 4YY -0.10529 -0.03097 -0.08151 0.40751 0.00143 125 4ZZ 0.08162 0.07850 -0.04244 -0.09340 -0.03834 126 4XY -0.04954 -0.01416 -0.29689 0.13423 0.06848 127 4XZ -0.01284 0.25129 -0.01005 -0.11376 0.09532 128 4YZ -0.07512 -0.04729 0.10393 -0.15453 0.06339 129 13 C 1S 0.03184 0.03099 0.00551 0.00094 -0.01537 130 2S 0.31294 -0.12493 -0.24120 -0.14922 -0.04509 131 2PX 0.02999 0.00918 -0.06671 -0.02872 -0.05586 132 2PY -0.00272 0.08249 0.11094 0.10590 -0.05527 133 2PZ -0.01176 0.02291 0.01427 0.08716 0.03091 134 3S -1.12378 -0.29525 0.19051 0.13732 0.32739 135 3PX -0.19265 -0.10184 -0.10131 0.52024 0.16787 136 3PY 0.21089 -0.29201 -0.05818 -0.60677 0.18080 137 3PZ 0.16977 -0.03772 0.05724 -0.36512 -0.12725 138 4XX -0.01098 -0.29050 -0.00254 -0.07563 0.10338 139 4YY -0.02387 0.32146 0.22699 -0.05304 -0.18741 140 4ZZ 0.03319 -0.02370 -0.18615 0.16055 0.08893 141 4XY -0.01944 -0.13206 -0.24615 -0.05102 -0.00584 142 4XZ 0.06171 0.21203 -0.09420 0.16619 -0.05314 143 4YZ -0.00770 -0.04109 0.01622 0.30080 -0.02986 144 14 C 1S -0.03183 0.03103 0.00553 -0.00095 -0.01521 145 2S -0.31314 -0.12479 -0.24047 0.14964 -0.04573 146 2PX -0.03001 0.00932 -0.06666 0.02881 -0.05571 147 2PY -0.00276 -0.08244 -0.11084 0.10612 0.05556 148 2PZ 0.01179 0.02296 0.01396 -0.08719 0.03183 149 3S 1.12407 -0.29611 0.18892 -0.13741 0.32520 150 3PX 0.19253 -0.10281 -0.10226 -0.52021 0.16956 151 3PY 0.21090 0.29174 0.05711 -0.60705 -0.18296 152 3PZ -0.16976 -0.03760 0.05860 0.36506 -0.12953 153 4XX 0.01090 -0.29057 -0.00241 0.07559 0.10337 154 4YY 0.02402 0.32142 0.22712 0.05245 -0.18789 155 4ZZ -0.03326 -0.02359 -0.18647 -0.15997 0.08953 156 4XY -0.01925 0.13196 0.24593 -0.05124 0.00765 157 4XZ -0.06174 0.21226 -0.09455 -0.16617 -0.05213 158 4YZ -0.00761 0.04127 -0.01571 0.30066 0.03045 159 15 C 1S -0.00093 0.00090 -0.00047 0.02239 0.00865 160 2S 0.06227 -0.07412 -0.00376 0.45073 -0.13964 161 2PX 0.02039 0.03814 -0.06483 0.04137 0.10342 162 2PY -0.06494 0.02102 0.06642 0.15541 -0.12416 163 2PZ -0.04865 -0.01932 0.02272 0.05147 0.06869 164 3S -0.27073 -0.14557 0.11375 -1.31324 -0.14919 165 3PX -0.18386 0.20354 0.21472 0.07891 -0.24021 166 3PY 0.21510 -0.34612 0.24210 0.16909 0.17924 167 3PZ -0.03388 0.25697 -0.17280 -0.13906 -0.15907 168 4XX -0.03806 -0.09738 0.18863 0.25763 -0.00300 169 4YY 0.10526 -0.03108 -0.08210 -0.40736 -0.00009 170 4ZZ -0.08163 0.07861 -0.04251 0.09327 -0.03649 171 4XY -0.04937 0.01429 0.29707 0.13368 -0.06829 172 4XZ 0.01284 0.25155 -0.00997 0.11375 0.09546 173 4YZ -0.07506 0.04742 -0.10437 -0.15459 -0.06188 174 16 H 1S -0.10291 0.10261 0.07330 0.19717 0.17410 175 2S -0.07096 0.01803 -0.02614 0.03625 0.02125 176 17 H 1S 0.10297 0.10250 0.07306 -0.19712 0.17332 177 2S 0.07097 0.01803 -0.02621 -0.03615 0.02174 178 18 H 1S 0.00728 -0.00965 0.16393 -0.51617 0.04142 179 2S -0.15105 -0.14774 0.07187 -0.05861 0.06056 180 19 H 1S 0.12392 0.25369 0.17349 -0.12603 -0.08073 181 2S 0.13134 -0.00173 -0.06387 0.03151 -0.07966 182 20 H 1S -0.12377 0.25401 0.17380 0.12578 -0.08079 183 2S -0.13151 -0.00141 -0.06387 -0.03137 -0.07972 184 21 H 1S -0.00722 -0.00952 0.16459 0.51583 0.04357 185 2S 0.15105 -0.14774 0.07191 0.05843 0.06131 186 22 H 1S 0.09041 0.22362 -0.12154 0.12721 -0.08469 187 2S -0.01340 -0.03379 -0.02088 0.28868 0.07751 188 23 H 1S -0.09043 0.22363 -0.12173 -0.12717 -0.08377 189 2S 0.01335 -0.03400 -0.02139 -0.28876 0.07793 141 142 143 144 145 V V V V V Eigenvalues -- 1.97838 1.98101 2.00054 2.01937 2.04161 1 1 C 1S 0.01319 0.01667 0.00847 0.00491 0.00219 2 2S 0.43738 0.27295 -0.04444 0.16489 0.30805 3 2PX -0.00858 -0.12695 -0.12056 -0.04872 -0.03440 4 2PY 0.04917 -0.03937 -0.09401 0.20067 0.19564 5 2PZ 0.08685 -0.02034 -0.04857 0.05660 -0.01686 6 3S -1.15721 -1.15758 -0.52398 -0.20956 -0.08177 7 3PX 0.04965 0.25876 0.27709 0.15648 0.01620 8 3PY -0.20687 0.00756 0.39406 -0.09573 -0.43803 9 3PZ -0.30876 -0.17039 0.07150 0.09130 -0.23716 10 4XX -0.08921 -0.08131 -0.09507 0.33023 0.02767 11 4YY 0.07908 -0.05427 0.18179 -0.35604 -0.29927 12 4ZZ 0.00875 0.07438 -0.14916 0.05707 0.28466 13 4XY -0.12850 -0.00554 -0.07229 -0.12478 0.02141 14 4XZ -0.08571 0.09619 0.23361 0.06515 0.17928 15 4YZ 0.02078 0.02362 -0.11070 -0.25486 0.18329 16 2 O 1S 0.00899 -0.01997 -0.00314 0.02233 0.00280 17 2S -0.28596 -0.06959 -0.39930 0.05196 0.17504 18 2PX -0.11867 0.16840 0.06284 0.24744 0.05472 19 2PY -0.16554 0.14774 -0.06933 0.00237 0.03515 20 2PZ -0.14255 0.09002 0.01794 0.08268 0.12263 21 3S 0.50241 0.48064 0.83399 -0.45851 -0.38149 22 3PX 0.01717 -0.37140 -0.07057 -0.42623 -0.07601 23 3PY 0.19430 -0.08754 0.17942 -0.20344 -0.08804 24 3PZ 0.14412 -0.15409 0.01045 -0.01459 -0.29301 25 4XX -0.05332 0.08545 0.01653 -0.09482 0.10438 26 4YY -0.00456 -0.19258 -0.13275 -0.01325 0.09072 27 4ZZ -0.03972 0.03369 -0.04855 0.18365 -0.14726 28 4XY 0.19145 -0.03897 0.06276 -0.26873 0.02662 29 4XZ 0.03929 -0.11379 0.08635 0.02809 -0.01744 30 4YZ 0.14848 -0.09430 0.06429 0.06517 -0.22752 31 3 C 1S -0.00007 0.00000 0.03155 -0.02235 -0.03146 32 2S -0.00019 0.00000 0.08921 0.02836 -0.02698 33 2PX 0.00000 0.00000 0.09465 -0.04566 -0.12537 34 2PY 0.29484 -0.17772 -0.00006 0.00001 0.00004 35 2PZ -0.00005 0.00001 0.03846 -0.15602 -0.01712 36 3S 0.00122 -0.00007 -0.97392 0.82048 0.86581 37 3PX 0.00147 -0.00005 0.03279 0.54399 -0.39828 38 3PY -0.16775 0.13943 0.00002 0.00003 -0.00006 39 3PZ -0.00146 0.00007 0.15118 -0.47347 0.46215 40 4XX 0.00104 -0.00002 -0.04339 0.31220 -0.24928 41 4YY -0.00122 0.00001 0.15804 -0.06862 -0.06593 42 4ZZ 0.00018 -0.00001 -0.12889 -0.19927 0.34013 43 4XY 0.39408 -0.32189 -0.00005 0.00003 0.00008 44 4XZ -0.00022 -0.00003 0.11000 -0.11673 -0.35837 45 4YZ 0.41353 -0.30001 -0.00004 0.00003 -0.00001 46 4 C 1S -0.01321 -0.01668 0.00851 0.00491 0.00220 47 2S -0.43589 -0.27303 -0.04369 0.16479 0.30813 48 2PX 0.00948 0.12701 -0.12070 -0.04870 -0.03442 49 2PY 0.04949 -0.03926 0.09403 -0.20068 -0.19561 50 2PZ -0.08630 0.02033 -0.04848 0.05654 -0.01691 51 3S 1.15865 1.15799 -0.52632 -0.20957 -0.08184 52 3PX -0.05101 -0.25885 0.27752 0.15628 0.01643 53 3PY -0.20474 0.00766 -0.39401 0.09602 0.43785 54 3PZ 0.30602 0.17031 0.07116 0.09123 -0.23698 55 4XX 0.08818 0.08115 -0.09524 0.33027 0.02763 56 4YY -0.07798 0.05447 0.18176 -0.35614 -0.29922 57 4ZZ -0.00898 -0.07446 -0.14902 0.05712 0.28466 58 4XY -0.12934 -0.00568 0.07241 0.12474 -0.02144 59 4XZ 0.08401 -0.09630 0.23358 0.06524 0.17923 60 4YZ 0.01897 0.02351 0.11070 0.25478 -0.18343 61 5 H 1S 0.00015 -0.00005 0.21908 0.19775 -0.60094 62 2S 0.00053 -0.00002 0.00904 0.03178 -0.13657 63 6 H 1S -0.00135 0.00005 0.16958 -0.50496 0.10685 64 2S -0.00068 0.00001 0.13289 -0.24569 0.04503 65 7 O 1S -0.00912 0.01996 -0.00315 0.02233 0.00280 66 2S 0.28796 0.06975 -0.39958 0.05194 0.17511 67 2PX 0.11814 -0.16855 0.06287 0.24744 0.05475 68 2PY -0.16627 0.14771 0.06932 -0.00236 -0.03525 69 2PZ 0.14138 -0.09008 0.01790 0.08269 0.12263 70 3S -0.50381 -0.48077 0.83477 -0.45845 -0.38161 71 3PX -0.01753 0.37163 -0.07088 -0.42620 -0.07608 72 3PY 0.19428 -0.08761 -0.17945 0.20335 0.08822 73 3PZ -0.14177 0.15420 0.01039 -0.01454 -0.29301 74 4XX 0.05306 -0.08537 0.01654 -0.09483 0.10443 75 4YY 0.00502 0.19267 -0.13290 -0.01319 0.09059 76 4ZZ 0.04011 -0.03383 -0.04854 0.18360 -0.14715 77 4XY 0.19256 -0.03908 -0.06295 0.26877 -0.02662 78 4XZ -0.04093 0.11370 0.08628 0.02817 -0.01749 79 4YZ 0.14746 -0.09426 -0.06437 -0.06520 0.22759 80 8 H 1S -0.09645 -0.07611 0.16466 0.28132 -0.27927 81 2S 0.04949 -0.07053 0.21029 -0.03582 -0.09311 82 9 H 1S 0.09437 0.07591 0.16442 0.28141 -0.27932 83 2S -0.05095 0.07047 0.21017 -0.03573 -0.09321 84 10 C 1S 0.00029 0.00209 0.01314 -0.00284 0.01247 85 2S -0.16775 -0.20950 0.04751 -0.06074 0.08294 86 2PX -0.04687 -0.07247 -0.00703 -0.02302 0.00576 87 2PY -0.09962 -0.07511 0.11711 0.01897 0.06560 88 2PZ -0.04759 -0.07096 0.05063 0.02865 0.03878 89 3S 0.34168 0.16213 -0.65761 0.06120 -0.45338 90 3PX -0.01776 -0.05740 -0.13786 0.11157 -0.18141 91 3PY 0.37166 0.35476 -0.05289 0.05200 -0.10244 92 3PZ 0.00232 -0.00173 -0.09390 0.08021 -0.20344 93 4XX 0.05243 0.02214 0.08288 0.06098 0.03496 94 4YY -0.05978 -0.07539 -0.10620 -0.08432 -0.02088 95 4ZZ 0.01063 0.04642 0.05033 0.04574 0.01064 96 4XY 0.10793 0.11655 -0.24345 -0.02829 -0.07999 97 4XZ 0.10159 0.07892 -0.08652 0.00264 -0.14122 98 4YZ 0.01520 -0.05124 -0.32326 -0.08109 -0.12302 99 11 C 1S -0.00028 -0.00208 0.01314 -0.00284 0.01247 100 2S 0.16825 0.20965 0.04694 -0.06053 0.08279 101 2PX 0.04698 0.07249 -0.00721 -0.02299 0.00572 102 2PY -0.10042 -0.07537 -0.11691 -0.01907 -0.06557 103 2PZ 0.04771 0.07104 0.05045 0.02870 0.03874 104 3S -0.34389 -0.16273 -0.65657 0.06046 -0.45277 105 3PX 0.01826 0.05758 -0.13782 0.11141 -0.18126 106 3PY 0.37220 0.35498 0.05178 -0.05155 0.10217 107 3PZ -0.00154 0.00186 -0.09370 0.08000 -0.20324 108 4XX -0.05131 -0.02173 0.08301 0.06098 0.03498 109 4YY 0.05858 0.07505 -0.10655 -0.08429 -0.02096 110 4ZZ -0.01065 -0.04651 0.05054 0.04569 0.01071 111 4XY 0.10989 0.11712 0.24319 0.02836 0.07992 112 4XZ -0.10124 -0.07889 -0.08624 0.00257 -0.14114 113 4YZ 0.01731 -0.05054 0.32328 0.08108 0.12306 114 12 C 1S 0.02234 0.02595 -0.01446 -0.00220 -0.00017 115 2S 0.24171 0.16034 -0.71219 0.00303 -0.31271 116 2PX 0.03069 -0.00223 0.05458 0.04536 -0.01671 117 2PY -0.04077 0.00850 0.15625 0.01487 0.08939 118 2PZ -0.06675 -0.13078 0.08274 0.04346 -0.02940 119 3S -0.70935 -0.76964 1.44958 -0.11383 0.58165 120 3PX -0.14892 -0.12449 -0.01442 -0.00485 -0.12294 121 3PY -0.17958 0.01809 -0.63506 0.17831 -0.64172 122 3PZ 0.23287 0.47822 -0.12732 -0.17862 0.01671 123 4XX -0.02429 -0.15930 0.02149 -0.03446 0.00179 124 4YY -0.19616 -0.07377 -0.15612 0.05892 -0.07022 125 4ZZ 0.19984 0.23591 0.14181 -0.05439 0.11667 126 4XY -0.03856 0.02491 0.10303 -0.07688 -0.00350 127 4XZ 0.01689 0.02126 0.03520 0.07355 -0.00931 128 4YZ -0.14579 -0.26618 0.05109 0.06661 0.00904 129 13 C 1S 0.01803 0.02107 0.01873 -0.00579 0.00656 130 2S -0.03442 -0.17868 0.10135 -0.02138 -0.13098 131 2PX 0.01986 0.00591 0.00913 -0.03796 0.01767 132 2PY -0.03401 -0.02587 -0.06330 0.02080 -0.02105 133 2PZ 0.08600 0.14562 0.05686 -0.00166 0.07399 134 3S -0.33386 -0.09393 -0.61316 0.16369 -0.07776 135 3PX 0.13399 0.39281 0.03448 -0.06042 0.12345 136 3PY 0.28745 0.07733 0.01299 -0.01458 0.08594 137 3PZ -0.17706 -0.39905 0.17312 -0.07528 0.00384 138 4XX 0.01389 -0.06813 -0.03367 0.02156 -0.05655 139 4YY -0.05027 -0.06923 -0.00791 -0.03814 0.05103 140 4ZZ 0.04453 0.16890 0.06956 0.01609 0.03157 141 4XY -0.18358 -0.21498 -0.05177 -0.10348 0.03727 142 4XZ 0.09306 0.20597 0.01136 -0.03185 0.00573 143 4YZ -0.08454 0.00968 -0.10399 0.04267 -0.13141 144 14 C 1S -0.01813 -0.02105 0.01877 -0.00580 0.00656 145 2S 0.03402 0.17867 0.10102 -0.02122 -0.13113 146 2PX -0.02031 -0.00592 0.00920 -0.03797 0.01767 147 2PY -0.03349 -0.02572 0.06335 -0.02084 0.02107 148 2PZ -0.08566 -0.14550 0.05716 -0.00177 0.07410 149 3S 0.33611 0.09349 -0.61364 0.16372 -0.07772 150 3PX -0.13254 -0.39262 0.03475 -0.06067 0.12384 151 3PY 0.28591 0.07716 -0.01334 0.01486 -0.08616 152 3PZ 0.17606 0.39898 0.17256 -0.07499 0.00348 153 4XX -0.01329 0.06778 -0.03382 0.02151 -0.05655 154 4YY 0.04877 0.06907 -0.00809 -0.03808 0.05094 155 4ZZ -0.04355 -0.16835 0.06994 0.01605 0.03167 156 4XY -0.18352 -0.21495 0.05216 0.10333 -0.03711 157 4XZ -0.09344 -0.20593 0.01170 -0.03190 0.00578 158 4YZ -0.08409 0.00992 0.10402 -0.04274 0.13146 159 15 C 1S -0.02226 -0.02594 -0.01440 -0.00222 -0.00016 160 2S -0.24349 -0.16119 -0.71185 0.00293 -0.31264 161 2PX -0.02975 0.00245 0.05453 0.04535 -0.01673 162 2PY -0.04202 0.00809 -0.15628 -0.01491 -0.08940 163 2PZ 0.06734 0.13086 0.08246 0.04352 -0.02948 164 3S 0.70896 0.77035 1.44810 -0.11350 0.58137 165 3PX 0.14671 0.12402 -0.01445 -0.00473 -0.12308 166 3PY -0.17753 0.01881 0.63545 -0.17866 0.64206 167 3PZ -0.23418 -0.47812 -0.12623 -0.17881 0.01696 168 4XX 0.02417 0.15915 0.02128 -0.03444 0.00174 169 4YY 0.19610 0.07373 -0.15633 0.05912 -0.07034 170 4ZZ -0.20000 -0.23579 0.14226 -0.05461 0.11685 171 4XY -0.03931 0.02450 -0.10299 0.07686 0.00342 172 4XZ -0.01606 -0.02109 0.03525 0.07356 -0.00933 173 4YZ -0.14618 -0.26611 -0.05066 -0.06672 -0.00895 174 16 H 1S -0.09472 -0.05819 0.30289 0.06122 0.12983 175 2S 0.06156 0.04411 -0.07940 0.02742 -0.10690 176 17 H 1S 0.09651 0.05876 0.30274 0.06130 0.12980 177 2S -0.06146 -0.04415 -0.07920 0.02728 -0.10681 178 18 H 1S 0.26693 0.11501 0.07282 -0.05690 0.14400 179 2S 0.08933 0.06314 0.06730 -0.07637 0.16282 180 19 H 1S 0.00087 -0.01224 0.10610 0.03097 0.01854 181 2S 0.01076 -0.11443 0.02930 0.04750 -0.10335 182 20 H 1S -0.00137 0.01239 0.10619 0.03100 0.01850 183 2S -0.01143 0.11445 0.02926 0.04759 -0.10353 184 21 H 1S -0.26648 -0.11492 0.07325 -0.05718 0.14417 185 2S -0.08872 -0.06301 0.06751 -0.07648 0.16297 186 22 H 1S 0.08623 0.16887 0.05722 -0.08963 0.07397 187 2S 0.02218 0.12255 0.03640 0.02517 0.02159 188 23 H 1S -0.08676 -0.16867 0.05743 -0.08968 0.07404 189 2S -0.02150 -0.12247 0.03647 0.02512 0.02171 146 147 148 149 150 V V V V V Eigenvalues -- 2.08890 2.12024 2.14083 2.16019 2.23013 1 1 C 1S 0.00262 0.00049 0.00373 0.02931 0.00926 2 2S 0.03009 0.33161 0.22744 0.49896 0.01152 3 2PX -0.07180 -0.14977 -0.01853 0.01351 -0.02891 4 2PY -0.00542 0.00772 0.11567 0.20713 -0.07009 5 2PZ -0.04592 0.02248 0.03374 0.07227 -0.00195 6 3S -0.18354 -1.23127 -0.07263 -0.52670 -0.67226 7 3PX 0.23759 0.15637 -0.08352 -0.35553 -0.19294 8 3PY 0.15394 -0.12911 -0.30779 -0.47149 -0.42128 9 3PZ 0.20112 -0.63347 -0.20224 -0.40947 -0.26760 10 4XX 0.01382 -0.06099 0.04920 -0.15267 0.09906 11 4YY -0.04355 0.01534 -0.10324 -0.22266 -0.06344 12 4ZZ 0.02233 -0.09792 0.03671 0.42234 -0.03404 13 4XY -0.05161 -0.05827 0.05420 0.03061 -0.19495 14 4XZ 0.02510 0.41779 -0.01220 -0.16797 -0.07745 15 4YZ -0.04529 0.00706 0.01940 0.00808 0.34121 16 2 O 1S 0.00837 0.00358 -0.00121 0.01026 -0.00638 17 2S 0.02707 -0.40721 -0.09769 -0.16434 -0.09725 18 2PX 0.02102 0.12336 0.01852 -0.10023 0.04293 19 2PY 0.00424 -0.11674 -0.03762 -0.13014 -0.01730 20 2PZ 0.04384 0.05926 -0.05923 -0.07368 -0.06360 21 3S -0.25936 0.82583 0.30566 0.11079 0.36343 22 3PX 0.03692 -0.33793 -0.15698 -0.05111 -0.24579 23 3PY -0.11348 0.20460 0.14653 0.09940 0.13452 24 3PZ -0.12576 -0.09390 0.17306 -0.12516 0.17420 25 4XX 0.13467 -0.00353 -0.09127 -0.21682 -0.11195 26 4YY 0.02519 -0.08759 -0.06111 0.01734 -0.00476 27 4ZZ -0.12159 -0.04409 0.11959 0.19801 0.08559 28 4XY 0.09785 0.02204 -0.15998 0.00516 -0.29767 29 4XZ 0.04814 0.06929 -0.03877 0.05676 -0.05780 30 4YZ -0.09329 0.01362 0.10205 0.01136 0.24719 31 3 C 1S 0.00181 0.00000 -0.00353 -0.02379 0.00000 32 2S -0.06292 0.00010 0.11872 -0.54524 -0.00001 33 2PX 0.01953 -0.00003 -0.08055 0.08813 0.00002 34 2PY 0.00003 0.09743 0.00003 0.00001 0.02689 35 2PZ 0.00598 -0.00001 -0.03115 0.05960 0.00002 36 3S 0.19889 -0.00016 -0.19475 0.89127 -0.00005 37 3PX -0.36933 0.00031 0.56814 -0.79462 -0.00008 38 3PY -0.00004 -0.07224 0.00005 0.00004 0.03457 39 3PZ 0.29281 -0.00014 -0.40705 -0.46848 0.00008 40 4XX -0.07065 0.00010 0.01220 -0.37017 0.00001 41 4YY 0.05357 -0.00008 0.04683 0.32819 -0.00010 42 4ZZ 0.04975 -0.00003 -0.10220 0.04612 0.00009 43 4XY 0.00000 0.05182 -0.00005 -0.00010 -0.49486 44 4XZ -0.07272 -0.00003 0.18012 0.59066 -0.00009 45 4YZ 0.00002 0.11397 0.00005 0.00006 0.43027 46 4 C 1S 0.00260 -0.00051 0.00370 0.02931 -0.00926 47 2S 0.02962 -0.33179 0.22720 0.49892 -0.01164 48 2PX -0.07170 0.14982 -0.01851 0.01356 0.02892 49 2PY 0.00540 0.00770 -0.11570 -0.20715 -0.07005 50 2PZ -0.04596 -0.02245 0.03372 0.07223 0.00192 51 3S -0.18159 1.23191 -0.07091 -0.52650 0.67230 52 3PX 0.23756 -0.15646 -0.08345 -0.35559 0.19293 53 3PY -0.15450 -0.12901 0.30699 0.47162 -0.42144 54 3PZ 0.20183 0.63355 -0.20161 -0.40934 0.26756 55 4XX 0.01393 0.06114 0.04921 -0.15268 -0.09904 56 4YY -0.04356 -0.01538 -0.10322 -0.22265 0.06337 57 4ZZ 0.02233 0.09782 0.03670 0.42237 0.03411 58 4XY 0.05155 -0.05825 -0.05422 -0.03061 -0.19494 59 4XZ 0.02496 -0.41789 -0.01230 -0.16810 0.07740 60 4YZ 0.04533 0.00709 -0.01936 -0.00818 0.34122 61 5 H 1S -0.18795 0.00010 0.31883 0.05098 -0.00005 62 2S -0.11897 0.00007 0.06770 0.04135 0.00001 63 6 H 1S 0.11011 -0.00013 -0.08750 0.37360 0.00001 64 2S 0.14948 -0.00009 -0.26593 0.05204 0.00005 65 7 O 1S 0.00837 -0.00358 -0.00121 0.01026 0.00637 66 2S 0.02735 0.40730 -0.09754 -0.16422 0.09725 67 2PX 0.02095 -0.12333 0.01849 -0.10028 -0.04294 68 2PY -0.00428 -0.11676 0.03759 0.13013 -0.01732 69 2PZ 0.04384 -0.05934 -0.05920 -0.07367 0.06361 70 3S -0.26021 -0.82598 0.30516 0.11057 -0.36339 71 3PX 0.03724 0.33793 -0.15682 -0.05099 0.24585 72 3PY 0.11368 0.20455 -0.14636 -0.09934 0.13456 73 3PZ -0.12570 0.09419 0.17301 -0.12516 -0.17422 74 4XX 0.13466 0.00350 -0.09128 -0.21679 0.11200 75 4YY 0.02523 0.08758 -0.06107 0.01737 0.00469 76 4ZZ -0.12151 0.04416 0.11960 0.19798 -0.08558 77 4XY -0.09783 0.02215 0.15993 -0.00520 -0.29773 78 4XZ 0.04817 -0.06936 -0.03870 0.05673 0.05776 79 4YZ 0.09331 0.01357 -0.10208 -0.01139 0.24724 80 8 H 1S 0.09719 0.04064 -0.07798 -0.13450 0.14456 81 2S 0.15456 0.04295 -0.09111 -0.18505 0.08759 82 9 H 1S 0.09716 -0.04064 -0.07807 -0.13449 -0.14452 83 2S 0.15443 -0.04308 -0.09129 -0.18502 -0.08759 84 10 C 1S -0.02419 0.00766 0.00695 0.00305 -0.00496 85 2S -0.50736 0.37211 -0.10809 0.03800 0.03603 86 2PX -0.05222 0.14157 -0.00798 0.00351 -0.00810 87 2PY -0.16457 0.05259 -0.06208 0.02746 0.07314 88 2PZ -0.06287 0.11547 -0.02162 0.00766 -0.03319 89 3S 0.61270 -0.94789 -0.35113 -0.08725 -0.28715 90 3PX 0.36083 -0.37270 -0.04542 -0.05113 0.09290 91 3PY 0.22650 -0.32678 0.19139 -0.08943 -0.22236 92 3PZ 0.36905 -0.32225 -0.14617 0.00200 -0.13500 93 4XX -0.07834 0.04200 0.05238 -0.01363 0.09963 94 4YY 0.24082 0.11406 0.18197 -0.03690 0.03294 95 4ZZ -0.22869 -0.11385 -0.25468 0.06725 -0.18376 96 4XY -0.17194 0.08374 -0.04913 -0.05172 0.09621 97 4XZ 0.21380 -0.18804 -0.15467 0.01420 0.06076 98 4YZ -0.07714 -0.08035 0.00163 -0.06114 -0.18874 99 11 C 1S -0.02420 -0.00767 0.00693 0.00305 0.00496 100 2S -0.50750 -0.37216 -0.10817 0.03795 -0.03584 101 2PX -0.05221 -0.14156 -0.00783 0.00348 0.00816 102 2PY 0.16457 0.05265 0.06212 -0.02748 0.07305 103 2PZ -0.06286 -0.11547 -0.02155 0.00764 0.03323 104 3S 0.61386 0.94821 -0.34872 -0.08707 0.28720 105 3PX 0.36127 0.37275 -0.04479 -0.05094 -0.09300 106 3PY -0.22685 -0.32685 -0.19212 0.08948 -0.22219 107 3PZ 0.36946 0.32226 -0.14517 0.00211 0.13494 108 4XX -0.07827 -0.04204 0.05224 -0.01354 -0.09956 109 4YY 0.24072 -0.11403 0.18203 -0.03695 -0.03309 110 4ZZ -0.22868 0.11385 -0.25450 0.06719 0.18384 111 4XY 0.17206 0.08365 0.04906 0.05175 0.09623 112 4XZ 0.21385 0.18809 -0.15475 0.01423 -0.06077 113 4YZ 0.07716 -0.08041 -0.00152 0.06113 -0.18879 114 12 C 1S -0.00632 0.00566 -0.00620 0.00599 -0.00036 115 2S -0.02709 0.18581 0.02885 -0.13027 0.16848 116 2PX 0.11310 0.10395 0.02680 -0.00504 -0.01199 117 2PY -0.01553 0.04339 -0.03279 0.07842 -0.03847 118 2PZ 0.21728 0.01083 0.02862 -0.00449 0.02001 119 3S -0.13397 -0.69409 0.20315 -0.00864 -0.26054 120 3PX 0.16392 -0.42060 -0.44376 0.05228 0.04422 121 3PY 0.18483 0.14834 -0.35662 -0.25351 0.29808 122 3PZ -0.09339 0.06949 0.07504 -0.06427 -0.18476 123 4XX 0.19719 -0.22897 0.08151 0.02945 -0.14379 124 4YY -0.02415 0.09727 -0.17590 0.06595 0.14421 125 4ZZ -0.20284 0.06135 0.12660 -0.07182 -0.00866 126 4XY -0.04151 0.27312 0.16194 -0.11535 -0.07004 127 4XZ 0.10177 0.19426 -0.08323 0.06196 -0.02305 128 4YZ 0.09036 0.06865 -0.09298 0.05999 0.00263 129 13 C 1S -0.00782 0.01015 0.01554 -0.01200 -0.00445 130 2S 0.42803 0.26069 -0.19537 -0.04657 -0.11291 131 2PX -0.01441 -0.00897 0.02595 -0.02387 -0.03456 132 2PY -0.12056 -0.03418 0.08265 -0.03315 0.02767 133 2PZ -0.09788 -0.05367 0.09484 0.00015 0.00954 134 3S -0.16652 -0.44317 -0.12558 0.24001 0.51303 135 3PX 0.06213 0.09149 0.57232 -0.00768 0.04657 136 3PY 0.21708 0.15914 -0.09740 0.15054 -0.11281 137 3PZ 0.33246 0.00005 -0.17818 0.01215 -0.03824 138 4XX 0.41129 -0.14034 0.15279 0.01576 0.12123 139 4YY -0.21638 0.07226 0.17038 -0.06568 -0.01473 140 4ZZ -0.24209 0.03001 -0.24561 0.02988 -0.07162 141 4XY 0.00439 0.13831 0.42613 -0.10234 -0.10176 142 4XZ 0.03479 -0.05556 0.17108 -0.01766 -0.12119 143 4YZ 0.15238 -0.13881 -0.07740 -0.04710 0.00658 144 14 C 1S -0.00784 -0.01015 0.01554 -0.01200 0.00444 145 2S 0.42772 -0.26096 -0.19537 -0.04664 0.11291 146 2PX -0.01441 0.00897 0.02599 -0.02388 0.03454 147 2PY 0.12061 -0.03427 -0.08260 0.03316 0.02767 148 2PZ -0.09777 0.05371 0.09496 0.00018 -0.00957 149 3S -0.16595 0.44343 -0.12671 0.24014 -0.51285 150 3PX 0.06190 -0.09135 0.57248 -0.00755 -0.04670 151 3PY -0.21690 0.15927 0.09716 -0.15057 -0.11288 152 3PZ 0.33237 -0.00029 -0.17854 0.01212 0.03821 153 4XX 0.41126 0.14016 0.15277 0.01577 -0.12120 154 4YY -0.21629 -0.07205 0.17033 -0.06568 0.01468 155 4ZZ -0.24215 -0.03000 -0.24557 0.02988 0.07161 156 4XY -0.00444 0.13822 -0.42641 0.10251 -0.10167 157 4XZ 0.03460 0.05560 0.17069 -0.01760 0.12131 158 4YZ -0.15235 -0.13880 0.07772 0.04707 0.00663 159 15 C 1S -0.00634 -0.00564 -0.00624 0.00599 0.00036 160 2S -0.02761 -0.18559 0.02817 -0.13034 -0.16850 161 2PX 0.11302 -0.10392 0.02677 -0.00508 0.01196 162 2PY 0.01538 0.04340 0.03264 -0.07843 -0.03851 163 2PZ 0.21722 -0.01089 0.02859 -0.00453 -0.02006 164 3S -0.13265 0.69319 0.20527 -0.00835 0.26040 165 3PX 0.16408 0.42039 -0.44422 0.05234 -0.04401 166 3PY -0.18421 0.14815 0.35829 0.25361 0.29799 167 3PZ -0.09361 -0.06931 0.07516 -0.06431 0.18476 168 4XX 0.19731 0.22887 0.08155 0.02945 0.14378 169 4YY -0.02409 -0.09735 -0.17621 0.06599 -0.14405 170 4ZZ -0.20298 -0.06116 0.12685 -0.07186 0.00851 171 4XY 0.04158 0.27303 -0.16230 0.11540 -0.06997 172 4XZ 0.10172 -0.19419 -0.08321 0.06193 0.02309 173 4YZ -0.09038 0.06870 0.09286 -0.05995 0.00259 174 16 H 1S 0.09189 0.09757 0.14127 0.02320 0.04704 175 2S 0.12191 -0.14749 -0.03608 -0.01536 -0.05367 176 17 H 1S 0.09193 -0.09762 0.14133 0.02323 -0.04710 177 2S 0.12203 0.14750 -0.03574 -0.01534 0.05363 178 18 H 1S 0.01165 -0.04465 0.16782 0.02310 -0.12668 179 2S -0.10634 0.06177 0.15000 0.08950 -0.03820 180 19 H 1S -0.21132 0.04520 -0.40549 0.05429 -0.05606 181 2S -0.06027 0.05264 0.02609 -0.15335 -0.00850 182 20 H 1S -0.21127 -0.04518 -0.40544 0.05430 0.05614 183 2S -0.06024 -0.05266 0.02619 -0.15350 0.00845 184 21 H 1S 0.01162 0.04471 0.16813 0.02306 0.12658 185 2S -0.10624 -0.06172 0.15034 0.08952 0.03821 186 22 H 1S -0.10236 0.12167 0.36345 -0.08160 -0.12643 187 2S -0.02386 -0.01782 0.17089 -0.01682 0.05204 188 23 H 1S -0.10245 -0.12153 0.36358 -0.08160 0.12639 189 2S -0.02396 0.01788 0.17101 -0.01679 -0.05209 151 152 153 154 155 V V V V V Eigenvalues -- 2.25488 2.26203 2.27991 2.29193 2.30961 1 1 C 1S 0.00916 0.00587 0.01446 0.00440 -0.03591 2 2S 0.06242 0.06726 0.41234 0.33310 -0.81805 3 2PX 0.03244 -0.02025 0.01615 0.05089 -0.11570 4 2PY -0.01081 0.02195 0.15951 -0.00245 0.05839 5 2PZ 0.00215 -0.04073 0.03530 0.10890 -0.22819 6 3S -0.24742 -0.58198 -0.42674 -0.88701 3.33717 7 3PX -0.02445 0.12284 -0.08062 -0.32892 0.96856 8 3PY 0.10583 -0.24381 -0.23326 -0.65665 1.54192 9 3PZ -0.16558 -0.03453 -0.40157 -0.37914 1.84022 10 4XX 0.08589 -0.02580 0.33010 -0.17207 0.14920 11 4YY 0.02627 0.01465 -0.20867 0.01940 0.02552 12 4ZZ -0.10177 -0.01315 -0.14997 0.10853 -0.07792 13 4XY -0.03439 0.03345 -0.04763 0.01946 0.00137 14 4XZ 0.00419 0.14630 -0.16181 -0.20575 0.20459 15 4YZ 0.08962 -0.07224 0.14665 -0.02114 -0.06627 16 2 O 1S -0.00068 0.00381 0.01181 -0.01386 0.02468 17 2S -0.02153 -0.11112 -0.11461 0.16134 0.08558 18 2PX -0.01403 0.03722 0.00232 -0.11128 0.07197 19 2PY -0.00734 -0.03273 -0.05186 0.05842 -0.06705 20 2PZ 0.00969 0.02408 -0.05033 -0.03609 0.09274 21 3S 0.11248 0.14877 0.07766 0.08836 -1.26702 22 3PX -0.04675 -0.03949 -0.20886 0.15670 0.32706 23 3PY -0.01695 0.08059 -0.02038 0.01635 -0.15842 24 3PZ -0.04916 -0.03908 0.01841 -0.01347 -0.02194 25 4XX 0.15558 0.05812 0.44489 -0.02999 0.07564 26 4YY -0.03044 -0.00521 -0.04905 0.04239 0.07280 27 4ZZ -0.13747 -0.06480 -0.35879 -0.02552 -0.06350 28 4XY 0.02975 0.06703 0.10016 0.11043 0.04004 29 4XZ -0.03537 0.02323 -0.13954 -0.11871 0.32527 30 4YZ 0.01276 -0.07515 -0.01332 -0.13115 -0.08716 31 3 C 1S -0.00306 0.00000 -0.01733 0.00000 0.00001 32 2S -0.02635 -0.00005 -0.22519 -0.00001 0.00032 33 2PX -0.01466 0.00004 -0.00265 -0.00002 -0.00006 34 2PY -0.00001 0.02985 0.00003 -0.02849 -0.00328 35 2PZ -0.00714 0.00002 -0.00542 -0.00002 -0.00002 36 3S 0.14809 0.00000 0.59236 0.00011 -0.00052 37 3PX -0.09927 -0.00019 -0.38696 -0.00003 0.00047 38 3PY -0.00002 -0.00449 0.00002 0.05829 -0.00060 39 3PZ 0.03679 0.00016 -0.23915 -0.00004 0.00008 40 4XX 0.05832 0.00002 0.22070 -0.00001 -0.00033 41 4YY 0.02480 0.00001 0.17277 0.00005 -0.00017 42 4ZZ -0.08582 -0.00002 -0.39344 -0.00004 0.00046 43 4XY -0.00001 0.12317 0.00002 0.12011 0.18058 44 4XZ 0.07832 -0.00004 0.33387 0.00007 -0.00021 45 4YZ 0.00003 -0.11209 0.00003 -0.20549 -0.11514 46 4 C 1S 0.00917 -0.00587 0.01450 -0.00439 0.03589 47 2S 0.06254 -0.06748 0.41309 -0.33297 0.81738 48 2PX 0.03248 0.02028 0.01624 -0.05086 0.11568 49 2PY 0.01079 0.02206 -0.15945 -0.00248 0.05862 50 2PZ 0.00216 0.04072 0.03549 -0.10887 0.22817 51 3S -0.24828 0.58195 -0.42946 0.88685 -3.33642 52 3PX -0.02462 -0.12292 -0.08140 0.32886 -0.96821 53 3PY -0.10529 -0.24418 0.23447 -0.65662 1.54186 54 3PZ -0.16590 0.03458 -0.40306 0.37879 -1.83914 55 4XX 0.08589 0.02575 0.32998 0.17206 -0.14978 56 4YY 0.02634 -0.01451 -0.20866 -0.01940 -0.02515 57 4ZZ -0.10183 0.01310 -0.14994 -0.10852 0.07820 58 4XY 0.03434 0.03353 0.04765 0.01941 0.00136 59 4XZ 0.00414 -0.14635 -0.16204 0.20580 -0.20423 60 4YZ -0.08957 -0.07227 -0.14668 -0.02116 -0.06602 61 5 H 1S 0.04248 -0.00008 0.21634 0.00002 -0.00022 62 2S -0.10819 -0.00005 -0.07881 -0.00001 0.00016 63 6 H 1S 0.00468 0.00002 -0.01861 0.00000 0.00007 64 2S 0.02716 0.00010 0.07717 -0.00001 -0.00018 65 7 O 1S -0.00069 -0.00382 0.01178 0.01387 -0.02469 66 2S -0.02156 0.11118 -0.11459 -0.16133 -0.08524 67 2PX -0.01406 -0.03729 0.00223 0.11127 -0.07195 68 2PY 0.00734 -0.03274 0.05179 0.05842 -0.06713 69 2PZ 0.00966 -0.02404 -0.05038 0.03610 -0.09266 70 3S 0.11276 -0.14874 0.07860 -0.08838 1.26646 71 3PX -0.04679 0.03966 -0.20910 -0.15674 -0.32670 72 3PY 0.01686 0.08062 0.02032 0.01635 -0.15835 73 3PZ -0.04912 0.03890 0.01838 0.01346 0.02197 74 4XX 0.15561 -0.05813 0.44486 0.02999 -0.07645 75 4YY -0.03044 0.00529 -0.04914 -0.04237 -0.07275 76 4ZZ -0.13754 0.06468 -0.35874 0.02552 0.06427 77 4XY -0.02972 0.06693 -0.10011 0.11044 0.04045 78 4XZ -0.03544 -0.02315 -0.13983 0.11872 -0.32504 79 4YZ -0.01274 -0.07510 0.01333 -0.13116 -0.08736 80 8 H 1S -0.00905 -0.01743 -0.00123 0.06391 -0.22741 81 2S -0.01744 -0.05162 -0.15375 0.23164 -0.60865 82 9 H 1S -0.00901 0.01746 -0.00109 -0.06396 0.22744 83 2S -0.01735 0.05169 -0.15324 -0.23174 0.60896 84 10 C 1S 0.00533 0.02238 0.00025 -0.01260 -0.02775 85 2S 0.29594 0.28974 -0.03828 -0.17012 -0.54360 86 2PX 0.06236 -0.02085 -0.01868 0.03325 -0.11282 87 2PY 0.06908 -0.02379 -0.03764 0.04656 0.05102 88 2PZ 0.07942 0.02845 0.01434 -0.04474 -0.11639 89 3S -0.32216 -3.02056 -0.05345 1.28983 2.45130 90 3PX -0.23233 -0.87992 -0.07233 0.80729 1.07158 91 3PY -0.03525 -1.01084 0.01029 0.62362 0.85824 92 3PZ -0.03660 -1.37652 -0.03862 0.43920 0.91864 93 4XX -0.14083 0.20825 -0.13578 0.32770 0.16190 94 4YY -0.15661 -0.06722 0.10492 0.06419 -0.03640 95 4ZZ 0.28964 -0.20340 0.00976 -0.34033 -0.12933 96 4XY 0.02779 -0.01993 0.03285 0.34212 0.02175 97 4XZ -0.10416 -0.02013 -0.02583 0.00215 0.17983 98 4YZ -0.08141 0.06061 -0.05745 -0.30648 -0.22920 99 11 C 1S 0.00534 -0.02239 0.00026 0.01259 0.02770 100 2S 0.29631 -0.28916 -0.03792 0.17013 0.54293 101 2PX 0.06240 0.02101 -0.01853 -0.03326 0.11270 102 2PY -0.06916 -0.02399 0.03768 0.04659 0.05144 103 2PZ 0.07946 -0.02834 0.01445 0.04478 0.11653 104 3S -0.32455 3.02070 -0.05385 -1.28980 -2.44981 105 3PX -0.23292 0.87970 -0.07280 -0.80723 -1.07104 106 3PY 0.03598 -1.01089 -0.01006 0.62379 0.85827 107 3PZ -0.03780 1.37641 -0.03873 -0.43904 -0.91774 108 4XX -0.14052 -0.20796 -0.13607 -0.32786 -0.16316 109 4YY -0.15654 0.06668 0.10498 -0.06418 0.03713 110 4ZZ 0.28923 0.20367 0.01002 0.34045 0.12972 111 4XY -0.02787 -0.01986 -0.03288 0.34213 0.02166 112 4XZ -0.10424 0.02020 -0.02597 -0.00214 -0.17947 113 4YZ 0.08140 0.06051 0.05741 -0.30647 -0.22874 114 12 C 1S -0.00561 0.03001 -0.00757 -0.00580 -0.01774 115 2S -0.15879 0.63346 -0.02557 -0.14967 -0.21028 116 2PX -0.02935 0.06882 0.00078 -0.06022 -0.14263 117 2PY 0.01447 -0.11304 -0.00629 -0.00792 -0.01620 118 2PZ -0.04412 0.04550 -0.00851 -0.01426 -0.14957 119 3S 0.43942 -2.75571 0.11642 1.10620 1.60855 120 3PX 0.19189 0.53753 0.00403 0.18814 0.05142 121 3PY 0.15302 1.82999 -0.18140 -0.50827 -0.87143 122 3PZ -0.23905 -0.43073 -0.01556 -0.01498 0.25076 123 4XX -0.18969 -0.06229 -0.12260 -0.13276 -0.09728 124 4YY 0.33456 0.21251 -0.07659 0.03797 0.09352 125 4ZZ -0.11971 -0.24648 0.19518 0.14499 0.08937 126 4XY -0.27565 -0.29457 0.03564 -0.05690 -0.13912 127 4XZ 0.10735 0.20843 -0.09803 -0.04924 -0.20255 128 4YZ 0.11957 0.14946 0.08356 0.22460 -0.12003 129 13 C 1S -0.00899 -0.04519 -0.00310 0.00477 -0.00361 130 2S -0.01595 -0.23775 -0.13703 0.32464 -0.38937 131 2PX 0.04411 -0.02993 -0.02812 0.03936 -0.02855 132 2PY 0.02307 -0.00239 -0.01280 -0.05413 0.02497 133 2PZ -0.00956 -0.12409 0.05873 -0.04409 0.13809 134 3S 0.07677 2.46531 0.15519 -0.95034 0.09770 135 3PX -0.00287 -0.42905 0.12911 -0.40331 0.46792 136 3PY -0.03149 -0.59300 0.02623 0.00669 -0.10957 137 3PZ -0.13570 -0.41337 -0.03995 0.34839 0.10713 138 4XX 0.18303 0.12501 -0.03173 -0.22133 0.14633 139 4YY -0.02480 0.09672 -0.04747 0.13074 -0.09741 140 4ZZ -0.18507 -0.22749 0.11086 0.00524 0.02687 141 4XY 0.12644 -0.41855 0.00493 0.10469 0.03560 142 4XZ 0.45759 0.18574 -0.21451 -0.01850 -0.21791 143 4YZ -0.10127 0.11230 0.04530 0.03132 -0.12399 144 14 C 1S -0.00905 0.04516 -0.00306 -0.00478 0.00359 145 2S -0.01613 0.23774 -0.13654 -0.32457 0.39010 146 2PX 0.04406 0.02992 -0.02809 -0.03933 0.02853 147 2PY -0.02301 -0.00252 0.01279 -0.05410 0.02522 148 2PZ -0.00970 0.12393 0.05869 0.04408 -0.13819 149 3S 0.07927 -2.46470 0.15342 0.95035 -0.09802 150 3PX -0.00355 0.42873 0.12919 0.40336 -0.46792 151 3PY 0.03222 -0.59313 -0.02682 0.00680 -0.10958 152 3PZ -0.13653 0.41297 -0.03955 -0.34859 -0.10718 153 4XX 0.18305 -0.12507 -0.03192 0.22148 -0.14621 154 4YY -0.02466 -0.09678 -0.04748 -0.13087 0.09688 155 4ZZ -0.18528 0.22752 0.11100 -0.00530 -0.02667 156 4XY -0.12597 -0.41816 -0.00509 0.10458 0.03516 157 4XZ 0.45753 -0.18526 -0.21453 0.01865 0.21791 158 4YZ 0.10119 0.11243 -0.04536 0.03136 -0.12422 159 15 C 1S -0.00558 -0.02999 -0.00758 0.00580 0.01777 160 2S -0.15830 -0.63348 -0.02576 0.14958 0.21057 161 2PX -0.02933 -0.06890 0.00085 0.06020 0.14279 162 2PY -0.01440 -0.11311 0.00622 -0.00793 -0.01614 163 2PZ -0.04412 -0.04558 -0.00837 0.01424 0.14965 164 3S 0.43679 2.75518 0.11682 -1.10610 -1.60987 165 3PX 0.19233 -0.53670 0.00364 -0.18812 -0.05111 166 3PY -0.15454 1.82934 0.18180 -0.50840 -0.87239 167 3PZ -0.23976 0.43083 -0.01536 0.01479 -0.25107 168 4XX -0.18969 0.06236 -0.12254 0.13251 0.09618 169 4YY 0.33469 -0.21199 -0.07674 -0.03792 -0.09341 170 4ZZ -0.11992 0.24588 0.19525 -0.14476 -0.08840 171 4XY 0.27596 -0.29412 -0.03596 -0.05682 -0.13910 172 4XZ 0.10752 -0.20821 -0.09790 0.04923 0.20198 173 4YZ -0.11989 0.14945 -0.08355 0.22442 -0.12093 174 16 H 1S 0.03566 -0.08600 0.01523 0.16547 0.11646 175 2S -0.05419 -0.44751 -0.03300 0.25759 0.33531 176 17 H 1S 0.03568 0.08589 0.01516 -0.16549 -0.11651 177 2S -0.05453 0.44748 -0.03309 -0.25757 -0.33512 178 18 H 1S -0.24473 -0.21692 0.06734 0.00604 -0.01333 179 2S -0.10014 -0.41339 0.06025 0.08679 0.18066 180 19 H 1S -0.26145 -0.06704 0.05952 0.20427 -0.07161 181 2S 0.12490 0.01809 -0.17052 0.13582 -0.21271 182 20 H 1S -0.26128 0.06710 0.05961 -0.20446 0.07134 183 2S 0.12503 -0.01804 -0.17056 -0.13575 0.21299 184 21 H 1S -0.24487 0.21653 0.06746 -0.00611 0.01337 185 2S -0.10048 0.41321 0.06036 -0.08688 -0.18107 186 22 H 1S 0.26834 -0.19081 -0.11772 0.03173 -0.08329 187 2S -0.02705 -0.06616 0.08281 -0.08548 0.11641 188 23 H 1S 0.26812 0.19085 -0.11762 -0.03156 0.08328 189 2S -0.02698 0.06599 0.08274 0.08552 -0.11622 156 157 158 159 160 V V V V V Eigenvalues -- 2.31855 2.37117 2.40151 2.43436 2.44809 1 1 C 1S 0.00618 0.02961 0.01474 0.03472 0.00278 2 2S 0.10977 0.67431 0.06274 0.35750 -0.06134 3 2PX -0.00170 0.02420 -0.06267 0.00325 -0.01800 4 2PY 0.04724 -0.04966 -0.03670 -0.07568 0.00727 5 2PZ -0.00457 0.14794 -0.03062 0.01446 -0.01522 6 3S -0.18172 -2.73308 -0.64367 -1.86878 -0.02275 7 3PX -0.07450 -0.45870 0.12512 0.26811 -0.16545 8 3PY -0.06358 -1.25621 -0.13848 -0.59218 -0.04484 9 3PZ -0.14639 -1.20186 -0.05217 -0.40874 0.02807 10 4XX 0.09677 -0.22697 -0.02311 0.08752 -0.28026 11 4YY -0.05348 -0.02314 -0.04600 -0.07933 0.03292 12 4ZZ -0.04833 0.14143 0.06386 -0.03195 0.26979 13 4XY -0.01202 -0.07972 -0.09015 -0.17191 0.04689 14 4XZ -0.07007 -0.02422 0.06038 0.10253 0.01965 15 4YZ 0.05567 0.06462 0.06175 0.15496 0.00580 16 2 O 1S -0.00063 -0.01630 -0.00068 0.01017 -0.01356 17 2S -0.09041 -0.07090 -0.09540 -0.11028 -0.05400 18 2PX -0.00599 -0.05279 0.02080 0.05449 -0.04947 19 2PY -0.02239 0.02579 -0.02712 -0.03272 -0.00415 20 2PZ -0.01230 -0.02570 0.02204 -0.01991 0.03763 21 3S 0.17722 0.84534 0.19586 0.22110 0.34018 22 3PX -0.06541 -0.13219 -0.06450 -0.21249 0.13737 23 3PY 0.04535 0.16214 0.07936 0.05639 0.15562 24 3PZ -0.04364 -0.05409 -0.06381 0.05578 -0.23226 25 4XX 0.15048 -0.03315 0.03750 0.22031 -0.18454 26 4YY 0.01124 -0.01451 0.00469 -0.03530 0.04273 27 4ZZ -0.17898 -0.02771 -0.06719 -0.15270 0.07270 28 4XY 0.08746 0.09228 0.03302 0.02680 0.24406 29 4XZ -0.02498 -0.17210 0.04475 -0.16068 0.10047 30 4YZ -0.04787 -0.10955 -0.07838 -0.03263 -0.35406 31 3 C 1S -0.00230 0.00000 0.00000 -0.00001 0.00405 32 2S -0.17437 0.00003 0.00010 0.00031 -0.01206 33 2PX 0.05154 0.00001 -0.00003 -0.00013 0.03022 34 2PY -0.00002 0.00368 0.01965 -0.01621 -0.00003 35 2PZ 0.02230 0.00002 0.00000 -0.00006 -0.00129 36 3S 0.19978 -0.00019 -0.00016 -0.00012 -0.14556 37 3PX -0.24730 0.00007 0.00016 0.00030 0.04778 38 3PY 0.00001 0.03443 -0.01721 -0.10846 -0.00011 39 3PZ 0.02390 -0.00001 -0.00005 -0.00014 0.23892 40 4XX 0.14744 0.00004 -0.00008 0.00027 0.64476 41 4YY 0.08183 0.00001 -0.00002 -0.00004 0.01968 42 4ZZ -0.19893 -0.00006 0.00007 -0.00034 -0.64592 43 4XY 0.00030 0.06844 0.09079 0.15301 0.00016 44 4XZ 0.06419 -0.00003 -0.00001 0.00006 -0.10428 45 4YZ -0.00021 -0.12405 -0.08204 -0.03669 0.00004 46 4 C 1S 0.00629 -0.02962 -0.01475 -0.03476 0.00272 47 2S 0.11229 -0.67443 -0.06286 -0.35718 -0.06199 48 2PX -0.00134 -0.02422 0.06266 -0.00341 -0.01800 49 2PY -0.04707 -0.04966 -0.03669 -0.07571 -0.00738 50 2PZ -0.00391 -0.14796 0.03061 -0.01438 -0.01526 51 3S -0.19238 2.73340 0.64399 1.86907 -0.01962 52 3PX -0.07739 0.45859 -0.12510 -0.26805 -0.16596 53 3PY 0.06855 -1.25633 -0.13848 -0.59222 0.04385 54 3PZ -0.15216 1.20168 0.05224 0.40864 0.02879 55 4XX 0.09632 0.22696 0.02320 -0.08747 -0.28049 56 4YY -0.05354 0.02310 0.04598 0.07912 0.03304 57 4ZZ -0.04815 -0.14137 -0.06393 0.03187 0.26993 58 4XY 0.01205 -0.07975 -0.09015 -0.17190 -0.04718 59 4XZ -0.07052 0.02413 -0.06042 -0.10256 0.01948 60 4YZ -0.05589 0.06470 0.06180 0.15490 -0.00559 61 5 H 1S 0.07232 0.00003 -0.00002 0.00022 0.33261 62 2S -0.08990 0.00007 0.00008 0.00004 -0.28906 63 6 H 1S -0.02664 -0.00003 0.00002 -0.00019 -0.34735 64 2S 0.11132 0.00000 -0.00007 -0.00008 0.17196 65 7 O 1S -0.00069 0.01629 0.00067 -0.01017 -0.01358 66 2S -0.09082 0.07086 0.09544 0.11044 -0.05387 67 2PX -0.00614 0.05278 -0.02078 -0.05448 -0.04955 68 2PY 0.02223 0.02578 -0.02713 -0.03279 0.00410 69 2PZ -0.01259 0.02569 -0.02206 0.01994 0.03765 70 3S 0.18125 -0.84520 -0.19590 -0.22135 0.33990 71 3PX -0.06654 0.13225 0.06451 0.21247 0.13772 72 3PY -0.04591 0.16203 0.07935 0.05660 -0.15553 73 3PZ -0.04352 0.05416 0.06395 -0.05578 -0.23238 74 4XX 0.15025 0.03308 -0.03750 -0.22017 -0.18500 75 4YY 0.01097 0.01458 -0.00469 0.03516 0.04268 76 4ZZ -0.17873 0.02767 0.06717 0.15270 0.07317 77 4XY -0.08728 0.09224 0.03312 0.02666 -0.24404 78 4XZ -0.02602 0.17216 -0.04475 0.16065 0.10070 79 4YZ 0.04760 -0.10951 -0.07851 -0.03242 0.35402 80 8 H 1S -0.01202 0.15675 -0.01288 -0.00698 -0.11079 81 2S -0.03702 0.40359 -0.02580 0.00610 0.03433 82 9 H 1S -0.01128 -0.15674 0.01291 0.00701 -0.11074 83 2S -0.03516 -0.40366 0.02577 -0.00621 0.03428 84 10 C 1S 0.01653 0.00557 0.00277 -0.03289 0.01157 85 2S 0.20281 0.04842 0.02187 -0.20621 0.07404 86 2PX 0.04260 -0.07419 0.03285 -0.12590 0.00399 87 2PY 0.14733 0.04618 -0.07465 0.16100 -0.02579 88 2PZ -0.05295 -0.04207 0.00967 -0.08313 0.00884 89 3S -0.48185 -1.15340 -0.53296 -0.60378 -0.43472 90 3PX -0.10729 -0.29325 -0.32162 -0.39581 -0.15653 91 3PY -0.08454 -0.70950 -0.16970 0.16537 0.10243 92 3PZ -0.24337 -0.28096 -0.36030 -0.42417 -0.11033 93 4XX 0.43987 -0.02164 -0.22372 -0.14415 -0.08019 94 4YY -0.22127 -0.03266 -0.03912 0.25306 0.08839 95 4ZZ -0.16266 -0.01996 0.27726 -0.13165 -0.01214 96 4XY -0.06879 -0.17700 0.44810 -0.15904 -0.02556 97 4XZ -0.12267 0.08335 0.11321 0.29312 -0.14900 98 4YZ 0.15304 -0.04233 -0.19939 0.12995 -0.07022 99 11 C 1S 0.01662 -0.00558 -0.00279 0.03279 0.01162 100 2S 0.20462 -0.04849 -0.02197 0.20603 0.07430 101 2PX 0.04279 0.07419 -0.03292 0.12602 0.00415 102 2PY -0.14724 0.04617 -0.07462 0.16077 0.02602 103 2PZ -0.05264 0.04205 -0.00969 0.08321 0.00894 104 3S -0.49180 1.15373 0.53332 0.60743 -0.43386 105 3PX -0.11133 0.29326 0.32166 0.39706 -0.15584 106 3PY 0.08818 -0.70957 -0.16978 0.16632 -0.10214 107 3PZ -0.24712 0.28096 0.36035 0.42507 -0.10956 108 4XX 0.43946 0.02163 0.22368 0.14462 -0.07983 109 4YY -0.22116 0.03271 0.03909 -0.25381 0.08796 110 4ZZ -0.16248 0.01990 -0.27725 0.13190 -0.01201 111 4XY 0.06918 -0.17701 0.44795 -0.15925 0.02555 112 4XZ -0.12315 -0.08331 -0.11305 -0.29166 -0.14950 113 4YZ -0.15400 -0.04238 -0.19937 0.12945 0.07035 114 12 C 1S -0.01288 0.00981 -0.01344 0.05976 -0.02215 115 2S -0.11768 0.49848 0.39360 1.20395 -0.07060 116 2PX -0.04389 0.06015 0.08591 -0.02549 0.00556 117 2PY 0.03144 -0.14165 -0.11429 -0.20213 -0.03034 118 2PZ -0.01838 0.05725 0.20362 -0.13386 0.04874 119 3S 0.57465 -0.59704 -0.55235 -3.64934 0.75087 120 3PX -0.12471 -0.09680 -0.11134 -0.00951 -0.11031 121 3PY -0.33551 0.76950 0.42865 1.91389 -0.19316 122 3PZ 0.10604 0.00662 0.15127 -0.47528 0.09137 123 4XX 0.39071 -0.17609 0.12077 -0.05089 -0.25159 124 4YY -0.00074 0.20289 -0.14000 -0.05778 0.21196 125 4ZZ -0.38168 -0.08516 -0.12885 -0.08235 0.04053 126 4XY 0.03359 -0.06816 0.11106 0.02358 0.08600 127 4XZ 0.19078 0.00704 0.08913 -0.23938 0.05725 128 4YZ -0.31899 -0.21511 -0.07673 0.14092 -0.09940 129 13 C 1S 0.00910 0.03634 0.01018 -0.08731 0.01626 130 2S -0.14288 0.30683 0.04525 -0.54301 0.09231 131 2PX 0.00441 0.07038 -0.01125 0.00255 0.01844 132 2PY 0.05596 0.08808 0.06828 -0.06162 -0.01351 133 2PZ 0.02290 -0.08782 -0.01362 -0.13766 0.05351 134 3S -0.08395 -0.74552 -0.00253 4.01472 -0.50037 135 3PX -0.06682 -0.12561 0.19950 -0.77286 0.05911 136 3PY -0.01921 0.46706 -0.08526 -0.99640 -0.07754 137 3PZ 0.13328 0.51250 0.12027 -1.13620 0.18619 138 4XX 0.00224 0.41689 0.31060 -0.37370 0.08980 139 4YY 0.18348 -0.17463 -0.12093 0.21757 0.05247 140 4ZZ -0.13445 -0.23386 -0.15789 0.14987 -0.13854 141 4XY -0.13949 0.32188 0.11041 0.11684 0.03283 142 4XZ 0.02797 0.05783 -0.08455 -0.01588 -0.14656 143 4YZ -0.06204 -0.28811 0.41439 0.14867 0.03431 144 14 C 1S 0.00906 -0.03635 -0.01019 0.08719 0.01638 145 2S -0.14207 -0.30692 -0.04538 0.54218 0.09309 146 2PX 0.00445 -0.07043 0.01123 -0.00275 0.01847 147 2PY -0.05585 0.08807 0.06827 -0.06185 0.01343 148 2PZ 0.02238 0.08785 0.01362 0.13731 0.05370 149 3S -0.08138 0.74594 0.00300 -4.01105 -0.50623 150 3PX -0.06833 0.12547 -0.19945 0.77294 0.06020 151 3PY 0.01945 0.46710 -0.08528 -0.99698 0.07599 152 3PZ 0.13222 -0.51255 -0.12060 1.13349 0.18774 153 4XX 0.00174 -0.41712 -0.31075 0.37292 0.09019 154 4YY 0.18393 0.17477 0.12070 -0.21802 0.05220 155 4ZZ -0.13464 0.23395 0.15829 -0.14862 -0.13864 156 4XY 0.14007 0.32199 0.11029 0.11690 -0.03271 157 4XZ 0.02892 -0.05778 0.08470 0.01722 -0.14654 158 4YZ 0.06177 -0.28819 0.41436 0.14917 -0.03390 159 15 C 1S -0.01278 -0.00979 0.01347 -0.05950 -0.02223 160 2S -0.11643 -0.49824 -0.39332 -1.20328 -0.07246 161 2PX -0.04345 -0.06018 -0.08597 0.02544 0.00562 162 2PY -0.03138 -0.14163 -0.11422 -0.20253 0.03000 163 2PZ -0.01803 -0.05729 -0.20372 0.13343 0.04888 164 3S 0.56698 0.59611 0.55129 3.64178 0.75628 165 3PX -0.12449 0.09680 0.11125 0.01047 -0.11022 166 3PY 0.33106 0.76934 0.42852 1.91205 0.19606 167 3PZ 0.10488 -0.00650 -0.15129 0.47504 0.09202 168 4XX 0.39094 0.17612 -0.12079 0.05280 -0.25158 169 4YY -0.00085 -0.20289 0.13970 0.05605 0.21204 170 4ZZ -0.38208 0.08511 0.12916 0.08233 0.04079 171 4XY -0.03386 -0.06830 0.11108 0.02446 -0.08581 172 4XZ 0.19139 -0.00710 -0.08932 0.23871 0.05753 173 4YZ 0.31865 -0.21514 -0.07697 0.13996 0.09959 174 16 H 1S 0.02382 -0.00515 -0.18329 -0.13616 0.11048 175 2S -0.04840 -0.19336 -0.09155 -0.02025 -0.03315 176 17 H 1S 0.02339 0.00509 0.18315 0.13518 0.11076 177 2S -0.04979 0.19340 0.09156 0.02048 -0.03306 178 18 H 1S -0.02981 -0.21462 0.02778 -0.01625 -0.15603 179 2S 0.11565 -0.17117 -0.11874 -0.36958 0.05426 180 19 H 1S 0.09805 -0.23928 -0.21532 -0.05902 -0.02842 181 2S -0.04198 0.08093 0.02158 0.20924 0.13084 182 20 H 1S 0.09821 0.23952 0.21529 0.05885 -0.02833 183 2S -0.04144 -0.08108 -0.02159 -0.20929 0.13063 184 21 H 1S -0.03001 0.21474 -0.02752 0.01773 -0.15598 185 2S 0.11473 0.17120 0.11874 0.36912 0.05482 186 22 H 1S -0.00854 0.12701 -0.10412 -0.23166 -0.01653 187 2S -0.08630 -0.28068 0.06006 -0.08807 0.01992 188 23 H 1S -0.00833 -0.12722 0.10416 0.23222 -0.01609 189 2S -0.08664 0.28074 -0.05999 0.08828 0.01998 161 162 163 164 165 V V V V V Eigenvalues -- 2.45144 2.48408 2.52225 2.54538 2.59890 1 1 C 1S 0.00846 -0.01127 -0.00394 -0.01699 0.03374 2 2S -0.12479 0.51022 -0.11103 -0.54573 0.01601 3 2PX 0.03148 0.09576 -0.00970 -0.06935 -0.22955 4 2PY -0.02425 0.16255 0.01933 -0.01109 0.15526 5 2PZ -0.03394 0.09474 -0.07567 -0.10303 -0.09649 6 3S -0.05200 -0.01779 0.83483 1.62287 -0.72257 7 3PX 0.02453 0.66294 0.75477 -0.05469 -0.40351 8 3PY 0.07869 0.40196 0.73913 0.67744 -0.21202 9 3PZ 0.01247 -0.27174 0.74644 0.52713 -0.53842 10 4XX 0.10298 0.29380 -0.01529 0.30039 -0.09027 11 4YY 0.04507 0.23431 0.00379 -0.03090 0.09030 12 4ZZ -0.07609 -0.62806 0.04117 -0.17380 0.03603 13 4XY -0.03146 0.29753 0.31645 -0.32416 -0.04151 14 4XZ -0.03630 -0.02307 0.13624 -0.14556 -0.39516 15 4YZ -0.02658 -0.11504 -0.23720 0.26318 0.00611 16 2 O 1S 0.00142 0.00300 0.02142 0.00521 -0.06144 17 2S -0.08115 0.21704 0.01876 -0.11433 -0.92391 18 2PX 0.02068 0.00672 0.06426 0.05075 -0.01495 19 2PY -0.01423 0.08676 -0.00863 -0.02705 -0.08656 20 2PZ -0.02212 -0.05664 -0.02612 0.01072 -0.02237 21 3S 0.11537 -0.43928 -0.63093 -0.06644 3.05737 22 3PX -0.05134 -0.10935 -0.04513 -0.01800 -0.25908 23 3PY 0.05139 -0.32743 -0.19732 0.05706 1.28065 24 3PZ 0.09543 0.24640 0.10311 0.03737 -0.01287 25 4XX 0.02519 0.38474 -0.11908 0.26091 -0.22170 26 4YY 0.04340 -0.12834 -0.07773 0.08036 0.37412 27 4ZZ -0.06042 -0.21911 0.31349 -0.30745 -0.42546 28 4XY -0.11133 0.02711 -0.05743 -0.04563 -0.09106 29 4XZ -0.00802 -0.23580 0.06012 0.03260 0.31720 30 4YZ 0.20523 0.24650 0.16007 -0.04144 0.09804 31 3 C 1S 0.01004 -0.00001 0.00001 -0.00001 0.07428 32 2S -0.17438 0.00003 -0.00001 0.00014 -0.43897 33 2PX 0.08382 -0.00003 0.00005 -0.00007 0.37890 34 2PY -0.00005 -0.08065 -0.00675 0.02808 -0.00005 35 2PZ 0.05889 -0.00003 0.00007 -0.00005 0.41717 36 3S -0.06264 0.00009 -0.00049 0.00012 -2.14701 37 3PX -0.11052 -0.00002 0.00023 0.00004 0.79016 38 3PY -0.00022 -0.05022 -0.12134 0.02706 -0.00002 39 3PZ 0.03605 -0.00009 0.00014 -0.00005 0.57050 40 4XX -0.36911 -0.00002 0.00011 0.00009 0.10364 41 4YY 0.01285 0.00001 -0.00008 0.00000 0.02703 42 4ZZ 0.41658 0.00000 -0.00002 -0.00014 0.04161 43 4XY 0.00033 0.03659 -0.16066 0.09173 0.00007 44 4XZ -0.04249 0.00005 -0.00016 0.00006 -0.56707 45 4YZ -0.00015 0.00437 0.31427 -0.17747 -0.00007 46 4 C 1S 0.00834 0.01126 0.00394 0.01697 0.03375 47 2S -0.12608 -0.51016 0.11075 0.54572 0.01613 48 2PX 0.03148 -0.09575 0.00961 0.06935 -0.22956 49 2PY 0.02401 0.16255 0.01933 -0.01110 -0.15522 50 2PZ -0.03397 -0.09468 0.07560 0.10305 -0.09654 51 3S -0.04561 0.01797 -0.83475 -1.62261 -0.72289 52 3PX 0.02310 -0.66294 -0.75490 0.05481 -0.40313 53 3PY -0.08053 0.40202 0.73922 0.67757 0.21214 54 3PZ 0.01367 0.27180 -0.74619 -0.52682 -0.53818 55 4XX 0.10244 -0.29374 0.01519 -0.30047 -0.09032 56 4YY 0.04532 -0.23433 -0.00364 0.03078 0.09026 57 4ZZ -0.07572 0.62798 -0.04115 0.17397 0.03610 58 4XY 0.03072 0.29751 0.31648 -0.32423 0.04145 59 4XZ -0.03668 0.02314 -0.13630 0.14558 -0.39509 60 4YZ 0.02733 -0.11529 -0.23717 0.26315 -0.00600 61 5 H 1S -0.23307 0.00000 0.00007 0.00007 0.09795 62 2S 0.09434 0.00005 -0.00001 -0.00003 0.06374 63 6 H 1S 0.21983 0.00001 -0.00006 -0.00006 -0.01726 64 2S -0.01287 -0.00002 0.00001 -0.00003 0.04486 65 7 O 1S 0.00137 -0.00299 -0.02145 -0.00521 -0.06144 66 2S -0.08073 -0.21696 -0.01903 0.11454 -0.92389 67 2PX 0.02042 -0.00671 -0.06427 -0.05075 -0.01494 68 2PY 0.01412 0.08674 -0.00863 -0.02708 0.08657 69 2PZ -0.02202 0.05664 0.02613 -0.01070 -0.02237 70 3S 0.11487 0.43897 0.63196 0.06588 3.05714 71 3PX -0.05048 0.10934 0.04515 0.01809 -0.25909 72 3PY -0.05130 -0.32728 -0.19771 0.05730 -1.28059 73 3PZ 0.09504 -0.24641 -0.10319 -0.03738 -0.01309 74 4XX 0.02408 -0.38467 0.11893 -0.26092 -0.22176 75 4YY 0.04363 0.12822 0.07776 -0.08047 0.37413 76 4ZZ -0.05972 0.21922 -0.31354 0.30757 -0.42536 77 4XY 0.11144 0.02707 -0.05748 -0.04569 0.09099 78 4XZ -0.00728 0.23575 -0.05997 -0.03263 0.31722 79 4YZ -0.20528 0.24648 0.16021 -0.04141 -0.09788 80 8 H 1S 0.05351 -0.23431 -0.20467 -0.01256 0.01944 81 2S 0.02908 -0.00316 -0.36669 -0.13974 -0.19920 82 9 H 1S 0.05362 0.23425 0.20467 0.01253 0.01937 83 2S 0.02920 0.00312 0.36674 0.13976 -0.19933 84 10 C 1S 0.02257 0.00317 -0.00735 0.00396 0.00824 85 2S 0.09573 -0.06935 -0.30701 0.10865 0.07346 86 2PX -0.01366 -0.02448 -0.06990 0.07491 -0.03989 87 2PY -0.00915 0.00226 0.00299 -0.03051 0.07357 88 2PZ -0.00593 -0.00906 -0.05348 0.03730 -0.03024 89 3S -0.80056 -0.16788 0.41275 0.71881 -0.26863 90 3PX -0.29737 -0.11879 0.28544 0.31762 -0.12934 91 3PY 0.16661 0.05134 0.02279 -0.10362 -0.01912 92 3PZ -0.25976 -0.17656 0.13640 0.37584 -0.06749 93 4XX -0.06667 0.00702 0.09890 0.04653 -0.02789 94 4YY 0.12664 -0.01318 -0.00120 -0.04096 -0.06587 95 4ZZ -0.05658 0.02220 -0.01882 -0.00886 0.08426 96 4XY -0.02837 0.08755 0.08443 0.05401 0.08151 97 4XZ -0.31930 -0.02694 0.11493 -0.08567 -0.00765 98 4YZ -0.07882 -0.10158 -0.01049 0.01102 0.03906 99 11 C 1S 0.02271 -0.00318 0.00735 -0.00399 0.00818 100 2S 0.09654 0.06926 0.30709 -0.10884 0.07319 101 2PX -0.01323 0.02445 0.06995 -0.07487 -0.03991 102 2PY 0.00978 0.00225 0.00298 -0.03040 -0.07371 103 2PZ -0.00564 0.00904 0.05349 -0.03730 -0.03026 104 3S -0.79874 0.16818 -0.41277 -0.71819 -0.26688 105 3PX -0.29606 0.11891 -0.28544 -0.31734 -0.12888 106 3PY -0.16592 0.05130 0.02286 -0.10354 0.01861 107 3PZ -0.25820 0.17670 -0.13638 -0.37553 -0.06708 108 4XX -0.06609 -0.00704 -0.09882 -0.04648 -0.02811 109 4YY 0.12558 0.01316 0.00116 0.04095 -0.06553 110 4ZZ -0.05603 -0.02216 0.01876 0.00883 0.08417 111 4XY 0.02806 0.08748 0.08448 0.05409 -0.08157 112 4XZ -0.32050 0.02703 -0.11486 0.08590 -0.00730 113 4YZ 0.07935 -0.10162 -0.01050 0.01102 -0.03907 114 12 C 1S -0.05661 0.01409 0.02280 -0.01258 -0.00751 115 2S -0.14953 0.27703 0.29635 -0.67646 -0.02007 116 2PX -0.01068 0.03312 -0.00382 0.00823 -0.03726 117 2PY -0.07982 -0.03914 -0.06420 0.15930 -0.00589 118 2PZ 0.07184 0.04800 -0.08621 -0.03368 -0.02227 119 3S 1.67863 -0.51957 -0.92674 1.33099 0.15570 120 3PX -0.09766 -0.08488 -0.32154 -0.36685 -0.06644 121 3PY -0.42404 0.12744 0.48835 -0.98424 -0.15585 122 3PZ 0.16837 0.24173 -0.24972 -0.14902 -0.07553 123 4XX -0.37538 -0.05325 0.01643 0.11738 0.03210 124 4YY 0.36596 0.02810 -0.03792 -0.00362 -0.18681 125 4ZZ -0.02334 -0.01891 0.00722 0.07036 0.15737 126 4XY 0.17746 -0.01734 -0.06977 -0.04219 -0.02854 127 4XZ 0.17462 0.02672 -0.10190 0.03889 0.09888 128 4YZ -0.21314 -0.08779 0.12822 0.10920 0.05443 129 13 C 1S 0.02624 0.01997 -0.05257 -0.00485 0.00357 130 2S 0.16633 0.23772 -0.42387 -0.09536 -0.24064 131 2PX 0.05138 0.01960 -0.03154 -0.04957 -0.03304 132 2PY -0.04582 0.03117 -0.05658 -0.04511 0.03159 133 2PZ 0.06971 -0.02882 0.01268 0.09530 0.10861 134 3S -0.77829 -0.74696 2.12699 -0.32306 0.06753 135 3PX 0.02682 -0.09964 0.48348 0.90828 0.19669 136 3PY -0.07209 0.27895 -0.64345 0.11160 -0.08491 137 3PZ 0.54228 0.24604 -0.90343 -0.32909 -0.21672 138 4XX 0.16139 0.09302 -0.01386 0.04838 0.08435 139 4YY 0.09047 -0.09082 0.18749 0.10954 0.01260 140 4ZZ -0.25575 -0.03803 -0.15171 -0.14373 -0.00201 141 4XY -0.03619 0.02021 0.32899 0.16400 0.06081 142 4XZ -0.31642 -0.09018 0.41001 0.42678 0.02382 143 4YZ 0.10914 -0.03786 0.06760 -0.10370 0.03731 144 14 C 1S 0.02660 -0.01998 0.05255 0.00482 0.00353 145 2S 0.16859 -0.23781 0.42386 0.09534 -0.24087 146 2PX 0.05141 -0.01962 0.03151 0.04952 -0.03301 147 2PY 0.04554 0.03116 -0.05659 -0.04513 -0.03160 148 2PZ 0.07019 0.02881 -0.01273 -0.09545 0.10859 149 3S -0.79447 0.74737 -2.12667 0.32388 0.06886 150 3PX 0.02958 0.09962 -0.48325 -0.90831 0.19638 151 3PY 0.06782 0.27897 -0.64380 0.11127 0.08541 152 3PZ 0.54720 -0.24624 0.90325 0.32892 -0.21722 153 4XX 0.16254 -0.09302 0.01354 -0.04879 0.08429 154 4YY 0.08959 0.09076 -0.18749 -0.10954 0.01270 155 4ZZ -0.25601 0.03809 0.15201 0.14408 -0.00205 156 4XY 0.03686 0.02015 0.32911 0.16404 -0.06089 157 4XZ -0.31685 0.09032 -0.40984 -0.42644 0.02382 158 4YZ -0.10845 -0.03782 0.06742 -0.10376 -0.03727 159 15 C 1S -0.05684 -0.01407 -0.02279 0.01262 -0.00751 160 2S -0.15412 -0.27696 -0.29621 0.67667 -0.01972 161 2PX -0.01055 -0.03317 0.00383 -0.00812 -0.03737 162 2PY 0.07904 -0.03913 -0.06424 0.15923 0.00602 163 2PZ 0.07238 -0.04805 0.08620 0.03370 -0.02239 164 3S 1.69259 0.51889 0.92621 -1.33250 0.15550 165 3PX -0.09726 0.08491 0.32151 0.36667 -0.06667 166 3PY 0.43134 0.12725 0.48824 -0.98470 0.15553 167 3PZ 0.17050 -0.24178 0.24964 0.14847 -0.07578 168 4XX -0.37527 0.05334 -0.01630 -0.11711 0.03212 169 4YY 0.36615 -0.02822 0.03784 0.00346 -0.18672 170 4ZZ -0.02287 0.01895 -0.00732 -0.07051 0.15715 171 4XY -0.17726 -0.01729 -0.06974 -0.04208 0.02836 172 4XZ 0.17542 -0.02674 0.10180 -0.03915 0.09893 173 4YZ 0.21387 -0.08795 0.12821 0.10910 -0.05459 174 16 H 1S 0.19008 0.00535 -0.05269 0.03153 -0.03702 175 2S -0.08715 -0.06928 0.08891 0.07054 -0.00652 176 17 H 1S 0.19069 -0.00542 0.05267 -0.03158 -0.03717 177 2S -0.08709 0.06934 -0.08890 -0.07042 -0.00632 178 18 H 1S -0.32046 0.03206 0.05155 0.09871 0.11057 179 2S 0.12233 -0.03064 -0.11491 0.25479 0.02793 180 19 H 1S 0.07901 0.01586 -0.46440 -0.31691 -0.11700 181 2S -0.05408 0.09438 0.07211 -0.10224 0.06651 182 20 H 1S 0.07956 -0.01589 0.46439 0.31684 -0.11708 183 2S -0.05500 -0.09445 -0.07213 0.10226 0.06673 184 21 H 1S -0.32041 -0.03193 -0.05147 -0.09855 0.11048 185 2S 0.12374 0.03054 0.11493 -0.25486 0.02781 186 22 H 1S -0.13354 -0.02073 0.28836 0.42943 0.03840 187 2S -0.06043 -0.07878 0.13395 0.20614 0.15176 188 23 H 1S -0.13289 0.02075 -0.28836 -0.42936 0.03837 189 2S -0.06026 0.07883 -0.13395 -0.20619 0.15174 166 167 168 169 170 V V V V V Eigenvalues -- 2.62740 2.64518 2.67569 2.69296 2.69442 1 1 C 1S -0.00063 -0.03921 -0.02974 0.03028 0.00168 2 2S -0.05834 -0.17736 -0.08305 0.10955 0.00202 3 2PX 0.10504 -0.08491 -0.01828 0.00627 -0.00620 4 2PY -0.02339 0.24135 0.18957 -0.23517 0.00083 5 2PZ 0.02045 -0.06662 -0.03224 0.03734 -0.02254 6 3S 0.22455 1.67145 1.23724 -1.21755 -0.07056 7 3PX 0.08618 0.03250 0.12163 0.01666 -0.00566 8 3PY -0.04070 0.89117 0.76103 -0.74864 0.05665 9 3PZ 0.09818 0.46065 0.27570 -0.09583 0.02037 10 4XX 0.01287 -0.21786 -0.22585 0.23830 -0.01155 11 4YY -0.00212 0.43716 0.37424 -0.48161 0.00935 12 4ZZ 0.05124 -0.17943 -0.11278 0.16595 -0.00991 13 4XY 0.01039 0.10109 0.03288 0.02067 0.02986 14 4XZ 0.14136 -0.13145 0.01461 -0.02465 0.00846 15 4YZ 0.00162 0.05114 0.13372 -0.15475 0.02754 16 2 O 1S 0.01855 -0.02778 -0.01417 0.01326 0.00091 17 2S 0.21358 -0.11759 -0.06514 0.19146 0.09972 18 2PX 0.00914 -0.04495 -0.02455 0.00799 -0.01146 19 2PY 0.01350 0.02120 0.01435 -0.01861 0.00605 20 2PZ -0.00168 -0.01136 -0.01156 0.01810 0.00416 21 3S -0.78573 0.39871 0.19288 -0.51199 -0.27334 22 3PX 0.09433 0.18563 0.13893 -0.10544 -0.02368 23 3PY -0.29195 0.22080 0.11348 -0.21921 -0.14925 24 3PZ 0.03305 0.07106 0.08064 -0.13634 -0.08395 25 4XX 0.04065 -0.11744 -0.07679 0.05995 0.04796 26 4YY -0.06712 0.13542 0.09221 -0.16139 -0.09855 27 4ZZ 0.11394 -0.10248 -0.04301 0.08575 0.04263 28 4XY 0.05756 0.05736 0.08106 -0.10494 -0.03368 29 4XZ -0.08961 0.21067 0.10417 -0.09118 0.02089 30 4YZ -0.01690 0.08582 0.06949 -0.10039 -0.03953 31 3 C 1S -0.01677 0.00001 -0.00001 -0.00007 -0.01206 32 2S 0.00898 -0.00006 -0.00003 -0.00019 -0.01435 33 2PX -0.06134 0.00006 -0.00004 -0.00017 -0.03734 34 2PY 0.00000 0.25155 0.17476 -0.26571 0.00143 35 2PZ -0.08976 0.00011 -0.00005 -0.00037 -0.06564 36 3S 0.59973 -0.00042 0.00049 0.00237 0.41519 37 3PX -0.27699 0.00020 -0.00027 -0.00143 -0.24205 38 3PY -0.00002 0.35150 0.23152 -0.32585 0.00176 39 3PZ -0.12400 0.00014 -0.00003 -0.00028 -0.04759 40 4XX 0.00332 0.00001 -0.00003 -0.00015 -0.02296 41 4YY -0.01662 0.00009 0.00007 0.00004 0.00874 42 4ZZ 0.00412 -0.00007 -0.00001 0.00030 0.03942 43 4XY 0.00000 -0.26241 -0.17506 0.26196 -0.00143 44 4XZ 0.14432 -0.00014 0.00008 0.00054 0.09201 45 4YZ 0.00003 -0.26602 -0.18251 0.26982 -0.00146 46 4 C 1S -0.00064 0.03922 0.02974 -0.03024 0.00203 47 2S -0.05820 0.17747 0.08307 -0.10931 0.00339 48 2PX 0.10511 0.08481 0.01836 -0.00639 -0.00620 49 2PY 0.02332 0.24125 0.18959 -0.23523 0.00175 50 2PZ 0.02051 0.06666 0.03229 -0.03764 -0.02215 51 3S 0.22437 -1.67175 -1.23714 1.21628 -0.08492 52 3PX 0.08605 -0.03269 -0.12158 -0.01687 -0.00552 53 3PY 0.04078 0.89144 0.76111 -0.74915 -0.04814 54 3PZ 0.09785 -0.46078 -0.27546 0.09558 0.01911 55 4XX 0.01273 0.21782 0.22585 -0.23842 -0.00905 56 4YY -0.00197 -0.43718 -0.37429 0.48172 0.00407 57 4ZZ 0.05119 0.17941 0.11283 -0.16617 -0.00803 58 4XY -0.01043 0.10107 0.03284 0.02034 -0.03021 59 4XZ 0.14141 0.13129 -0.01450 0.02464 0.00811 60 4YZ -0.00167 0.05099 0.13357 -0.15494 -0.02582 61 5 H 1S -0.03132 0.00004 -0.00005 -0.00035 -0.05777 62 2S -0.06397 0.00001 -0.00006 -0.00020 -0.03434 63 6 H 1S -0.00072 -0.00001 0.00003 0.00015 0.02312 64 2S 0.02563 -0.00002 0.00004 0.00027 0.04223 65 7 O 1S 0.01854 0.02775 0.01418 -0.01325 0.00104 66 2S 0.21362 0.11721 0.06543 -0.19048 0.10177 67 2PX 0.00910 0.04493 0.02453 -0.00813 -0.01141 68 2PY -0.01352 0.02125 0.01435 -0.01865 -0.00584 69 2PZ -0.00169 0.01135 0.01157 -0.01806 0.00437 70 3S -0.78558 -0.39744 -0.19382 0.50938 -0.27849 71 3PX 0.09438 -0.18578 -0.13887 0.10502 -0.02486 72 3PY 0.29193 0.22025 0.11385 -0.21774 0.15150 73 3PZ 0.03314 -0.07103 -0.08070 0.13527 -0.08554 74 4XX 0.04061 0.11734 0.07686 -0.05938 0.04852 75 4YY -0.06712 -0.13526 -0.09236 0.16036 -0.10035 76 4ZZ 0.11394 0.10231 0.04312 -0.08539 0.04358 77 4XY -0.05760 0.05749 0.08110 -0.10449 0.03484 78 4XZ -0.08967 -0.21057 -0.10423 0.09143 0.02004 79 4YZ 0.01685 0.08575 0.06952 -0.09987 0.04059 80 8 H 1S -0.05743 -0.00430 0.07115 -0.11220 -0.00878 81 2S 0.02610 -0.19615 -0.19766 0.15511 0.06618 82 9 H 1S -0.05733 0.00430 -0.07121 0.11209 -0.01002 83 2S 0.02618 0.19600 0.19775 -0.15444 0.06790 84 10 C 1S 0.03648 -0.09126 0.00238 -0.05542 -0.02249 85 2S -0.07599 -0.29577 0.03107 -0.06220 0.08170 86 2PX -0.27689 0.11501 0.01125 0.02944 0.16185 87 2PY 0.27542 0.18508 -0.12223 0.22586 -0.03502 88 2PZ -0.20684 0.07069 0.02524 0.04591 0.16243 89 3S -0.95957 4.83485 -0.18212 2.09054 0.93676 90 3PX -0.41304 1.32218 0.09889 0.44921 0.33360 91 3PY 0.05302 1.45786 -0.45533 0.74301 -0.40973 92 3PZ -0.39057 1.40752 0.32144 0.36704 0.28425 93 4XX -0.07537 -0.19361 -0.09682 -0.37139 0.13323 94 4YY -0.08977 0.44849 -0.24087 0.44373 -0.21202 95 4ZZ 0.16405 -0.23929 0.26504 -0.09697 0.19728 96 4XY 0.31772 0.10292 -0.11045 0.11527 -0.10519 97 4XZ -0.24088 0.46380 0.11152 0.17684 0.39415 98 4YZ 0.24386 0.23603 -0.32457 -0.27954 -0.13558 99 11 C 1S 0.03653 0.09124 -0.00239 0.05514 -0.02316 100 2S -0.07572 0.29579 -0.03106 0.06313 0.08114 101 2PX -0.27700 -0.11484 -0.01122 -0.02743 0.16220 102 2PY -0.27521 0.18525 -0.12237 0.22626 0.03226 103 2PZ -0.20691 -0.07057 -0.02518 -0.04389 0.16302 104 3S -0.96274 -4.83425 0.18288 -2.07867 0.96111 105 3PX -0.41391 -1.32165 -0.09869 -0.44485 0.33886 106 3PY -0.05183 1.45835 -0.45470 0.74816 0.40126 107 3PZ -0.39135 -1.40702 -0.32131 -0.36327 0.28882 108 4XX -0.07557 0.19369 0.09701 0.37305 0.12837 109 4YY -0.08994 -0.44858 0.24060 -0.44633 -0.20678 110 4ZZ 0.16435 0.23930 -0.26473 0.09941 0.19646 111 4XY -0.31765 0.10301 -0.11044 0.11638 0.10382 112 4XZ -0.24123 -0.46356 -0.11113 -0.17192 0.39641 113 4YZ -0.24341 0.23611 -0.32443 -0.27792 0.13946 114 12 C 1S -0.05664 -0.05182 -0.01610 0.00464 -0.00421 115 2S 0.00722 -0.62631 -0.01428 -0.19462 -0.06756 116 2PX -0.18052 -0.13241 -0.07432 -0.14013 0.18705 117 2PY -0.15215 0.03967 -0.04987 0.03575 0.06795 118 2PZ -0.10576 -0.11430 -0.06723 -0.11901 0.26210 119 3S 1.49369 3.28159 0.56767 0.84985 -0.13146 120 3PX -0.29028 -0.49615 -0.24042 -0.09091 0.61768 121 3PY -0.66710 -1.76820 -0.22752 -0.50825 0.02258 122 3PZ -0.09923 -0.14125 0.18665 -0.09821 0.86649 123 4XX 0.03654 -0.08725 0.19028 0.30005 -0.21479 124 4YY -0.39026 0.18180 0.02109 0.13595 -0.24617 125 4ZZ 0.29652 -0.00328 -0.14544 -0.33923 0.39995 126 4XY 0.19803 0.21174 0.07109 0.08550 -0.43683 127 4XZ 0.63515 0.23489 0.05615 0.08713 -0.03772 128 4YZ 0.18470 0.10312 -0.17790 -0.02992 -0.52115 129 13 C 1S 0.02346 0.02591 -0.04801 0.00132 0.04187 130 2S 0.03986 -0.03626 -0.01581 0.28969 -0.04341 131 2PX 0.04960 0.01443 -0.02155 0.00959 0.06553 132 2PY -0.11852 0.01562 -0.20955 0.01889 -0.08283 133 2PZ 0.11416 0.11237 0.02072 -0.06828 0.18465 134 3S -0.49005 -1.44584 0.82927 -0.89795 -0.80307 135 3PX -0.03147 0.28930 0.31660 -0.25688 0.07234 136 3PY 0.04175 0.42377 -0.69457 0.43110 -0.20206 137 3PZ 0.33171 0.32337 0.11543 0.22046 0.46023 138 4XX 0.20413 0.12016 -0.36899 -0.12560 0.22800 139 4YY -0.04523 -0.07531 0.65249 -0.02163 0.13048 140 4ZZ -0.11227 0.03902 -0.40756 0.03173 -0.29286 141 4XY -0.00312 -0.01512 -0.08523 -0.16063 0.07832 142 4XZ 0.00045 0.04236 -0.02762 0.13431 -0.16343 143 4YZ 0.20616 -0.04413 -0.11812 -0.32942 0.25631 144 14 C 1S 0.02343 -0.02592 0.04809 -0.00080 0.04179 145 2S 0.04005 0.03615 0.01572 -0.29033 -0.03992 146 2PX 0.04961 -0.01448 0.02171 -0.00878 0.06566 147 2PY 0.11859 0.01556 -0.20935 0.01986 0.08282 148 2PZ 0.11407 -0.11239 -0.02040 0.07060 0.18372 149 3S -0.48938 1.44621 -0.83085 0.88814 -0.81191 150 3PX -0.03172 -0.28939 -0.31643 0.25778 0.06943 151 3PY -0.04157 0.42391 -0.69427 0.43368 0.19759 152 3PZ 0.33183 -0.32356 -0.11463 -0.21488 0.46289 153 4XX 0.20378 -0.12024 0.36948 0.12842 0.22572 154 4YY -0.04486 0.07533 -0.65225 0.02336 0.13116 155 4ZZ -0.11243 -0.03897 0.40699 -0.03545 -0.29291 156 4XY 0.00311 -0.01520 -0.08528 -0.16163 -0.07616 157 4XZ 0.00014 -0.04226 0.02737 -0.13636 -0.16198 158 4YZ -0.20603 -0.04401 -0.11894 -0.33252 -0.25181 159 15 C 1S -0.05661 0.05185 0.01605 -0.00469 -0.00414 160 2S 0.00760 0.62636 0.01418 0.19378 -0.06963 161 2PX -0.18044 0.13253 0.07449 0.14244 0.18522 162 2PY 0.15224 0.03955 -0.04990 0.03486 -0.06838 163 2PZ -0.10568 0.11436 0.06754 0.12224 0.26047 164 3S 1.49195 -3.28263 -0.56686 -0.85162 -0.12169 165 3PX -0.28987 0.49602 0.24099 0.09857 0.61630 166 3PY 0.66624 -1.76876 -0.22706 -0.50867 -0.01698 167 3PZ -0.09891 0.14095 -0.18542 0.10879 0.86529 168 4XX 0.03682 0.08736 -0.19050 -0.30258 -0.21052 169 4YY -0.39023 -0.18183 -0.02174 -0.13916 -0.24478 170 4ZZ 0.29618 0.00323 0.14617 0.34420 0.39550 171 4XY -0.19816 0.21189 0.07165 0.09101 0.43570 172 4XZ 0.63494 -0.23517 -0.05574 -0.08746 -0.03642 173 4YZ -0.18474 0.10320 -0.17722 -0.02360 0.52158 174 16 H 1S -0.09987 -0.20978 0.07964 -0.00910 -0.11827 175 2S -0.07841 0.56189 -0.02351 0.12883 0.10363 176 17 H 1S -0.09968 0.20980 -0.07988 0.00761 -0.11820 177 2S -0.07879 -0.56179 0.02364 -0.12747 0.10501 178 18 H 1S 0.20368 -0.05724 -0.01445 -0.06838 0.12430 179 2S 0.03410 0.33772 0.13674 0.13011 -0.05917 180 19 H 1S -0.02373 0.01139 0.07775 0.16891 -0.03645 181 2S 0.04287 -0.05049 -0.15064 0.06214 -0.04651 182 20 H 1S -0.02349 -0.01148 -0.07784 -0.16941 -0.03418 183 2S 0.04280 0.05060 0.15060 -0.06271 -0.04600 184 21 H 1S 0.20370 0.05722 0.01481 0.06999 0.12343 185 2S 0.03397 -0.33781 -0.13682 -0.13090 -0.05752 186 22 H 1S -0.06353 0.07369 0.10672 0.08894 -0.03637 187 2S -0.05817 0.03257 0.01691 -0.15829 -0.03041 188 23 H 1S -0.06362 -0.07363 -0.10681 -0.08936 -0.03521 189 2S -0.05830 -0.03250 -0.01698 0.15799 -0.03249 171 172 173 174 175 V V V V V Eigenvalues -- 2.73616 2.76592 2.80390 2.86686 2.87995 1 1 C 1S 0.02040 0.02611 0.10187 -0.01587 0.02803 2 2S 0.15103 -0.09143 0.64210 0.06176 -0.18667 3 2PX -0.04674 -0.25700 -0.27623 -0.09538 -0.32203 4 2PY 0.13904 0.17847 -0.23352 0.28263 0.08276 5 2PZ -0.05914 -0.16147 -0.03075 -0.07265 -0.22880 6 3S -1.07817 -0.60944 -5.68250 0.43057 -0.97007 7 3PX -0.11830 -0.18940 -0.75615 -0.02182 -0.37011 8 3PY -0.02860 0.16186 -2.30580 0.29546 0.32774 9 3PZ -0.50470 -0.19701 -1.89571 -0.01321 -0.33062 10 4XX -0.21065 -0.03747 0.18627 -0.23072 -0.22113 11 4YY 0.32782 -0.04504 -0.47813 0.55703 0.21569 12 4ZZ -0.03546 0.09118 0.11926 -0.30822 -0.07969 13 4XY 0.04320 0.25632 0.00803 -0.44738 0.13241 14 4XZ -0.00891 -0.18771 -0.42151 -0.10647 -0.37877 15 4YZ 0.05482 0.18865 -0.38960 -0.50465 0.10492 16 2 O 1S -0.02198 -0.04852 -0.03128 0.03037 0.00137 17 2S -0.42694 -0.32923 -0.85420 0.04173 0.00699 18 2PX 0.00657 0.00127 0.05071 0.02990 0.04384 19 2PY 0.00618 0.07699 -0.04191 -0.02986 0.05006 20 2PZ -0.01053 0.00314 0.01562 0.02244 0.03258 21 3S 1.35526 1.35329 2.86366 -0.44208 -0.02074 22 3PX -0.11317 -0.25805 -0.65493 -0.17991 -1.07645 23 3PY 0.45637 0.17194 0.96882 -0.06254 -0.44099 24 3PZ 0.05635 -0.12545 -0.17146 -0.15468 -0.86917 25 4XX -0.07406 0.23276 0.02379 -0.04088 0.31488 26 4YY 0.17096 -0.51159 0.23120 0.15088 -0.30399 27 4ZZ -0.09883 0.06928 -0.25480 0.07242 0.05382 28 4XY 0.11083 0.11493 -0.06527 -0.43284 -0.65005 29 4XZ 0.16074 0.60834 0.24010 -0.17646 0.18661 30 4YZ 0.13757 0.14041 0.13010 -0.28890 -0.54323 31 3 C 1S 0.00000 0.02773 0.00000 0.00001 -0.07867 32 2S 0.00008 -0.01875 0.00001 -0.00004 0.25246 33 2PX -0.00004 0.05927 0.00000 0.00005 -0.29566 34 2PY 0.39081 -0.00003 0.51833 -0.34022 -0.00003 35 2PZ 0.00000 0.07562 0.00006 0.00002 -0.32734 36 3S 0.00006 -0.75684 -0.00004 -0.00037 2.15268 37 3PX 0.00000 0.00931 0.00001 0.00007 -0.37838 38 3PY 0.38417 -0.00001 0.28911 -0.32209 -0.00004 39 3PZ 0.00003 -0.03200 0.00001 0.00002 -0.35550 40 4XX 0.00003 0.39412 0.00000 0.00007 -0.35333 41 4YY -0.00002 -0.74233 0.00005 -0.00018 0.56670 42 4ZZ -0.00003 0.40249 -0.00005 0.00010 -0.24787 43 4XY -0.35231 0.00001 -0.39847 0.12342 0.00002 44 4XZ 0.00000 0.14357 -0.00004 -0.00001 0.16513 45 4YZ -0.31671 -0.00013 -0.32482 0.27978 0.00017 46 4 C 1S -0.02040 0.02612 -0.10187 0.01586 0.02803 47 2S -0.15125 -0.09140 -0.64210 -0.06174 -0.18665 48 2PX 0.04672 -0.25701 0.27624 0.09548 -0.32196 49 2PY 0.13907 -0.17845 -0.23355 0.28264 -0.08260 50 2PZ 0.05912 -0.16152 0.03071 0.07278 -0.22877 51 3S 1.07831 -0.60973 5.68267 -0.43024 -0.97031 52 3PX 0.11835 -0.18939 0.75605 0.02194 -0.37011 53 3PY -0.02889 -0.16182 -2.30608 0.29554 -0.32751 54 3PZ 0.50492 -0.19718 1.89521 0.01342 -0.33077 55 4XX 0.21065 -0.03748 -0.18624 0.23080 -0.22103 56 4YY -0.32780 -0.04492 0.47825 -0.55692 0.21552 57 4ZZ 0.03554 0.09110 -0.11941 0.30809 -0.07963 58 4XY 0.04316 -0.25623 0.00795 -0.44737 -0.13248 59 4XZ 0.00896 -0.18775 0.42148 0.10649 -0.37874 60 4YZ 0.05470 -0.18866 -0.38944 -0.50484 -0.10502 61 5 H 1S 0.00000 -0.09324 0.00000 0.00001 -0.05902 62 2S -0.00002 0.22036 0.00003 0.00003 -0.15264 63 6 H 1S -0.00002 -0.07778 0.00000 -0.00001 0.00248 64 2S 0.00000 0.16849 0.00000 0.00003 -0.15177 65 7 O 1S 0.02197 -0.04852 0.03128 -0.03037 0.00136 66 2S 0.42704 -0.32933 0.85420 -0.04172 0.00697 67 2PX -0.00656 0.00129 -0.05072 -0.02991 0.04382 68 2PY 0.00614 -0.07698 -0.04191 -0.02985 -0.05007 69 2PZ 0.01054 0.00313 -0.01564 -0.02246 0.03256 70 3S -1.35553 1.35350 -2.86368 0.44210 -0.02055 71 3PX 0.11318 -0.25811 0.65495 0.18028 -1.07635 72 3PY 0.45660 -0.17199 0.96877 -0.06270 0.44113 73 3PZ -0.05628 -0.12548 0.17171 0.15497 -0.86898 74 4XX 0.07413 0.23277 -0.02378 0.04080 0.31487 75 4YY -0.17121 -0.51150 -0.23124 -0.15072 -0.30421 76 4ZZ 0.09898 0.06922 0.25485 -0.07253 0.05398 77 4XY 0.11083 -0.11504 -0.06521 -0.43312 0.64983 78 4XZ -0.16064 0.60832 -0.24012 0.17634 0.18678 79 4YZ 0.13750 -0.14056 0.12997 -0.28912 0.54302 80 8 H 1S 0.04898 -0.02767 -0.25011 -0.27606 0.05031 81 2S -0.04061 0.05111 0.71653 0.10444 0.01789 82 9 H 1S -0.04898 -0.02768 0.25012 0.27604 0.05042 83 2S 0.04074 0.05111 -0.71661 -0.10442 0.01790 84 10 C 1S 0.03643 0.00322 0.00785 0.00507 0.00694 85 2S 0.29415 0.05988 0.04156 -0.01533 0.13544 86 2PX -0.12047 -0.00290 -0.03305 -0.00523 -0.01193 87 2PY 0.19062 0.00780 0.00859 -0.03251 0.04022 88 2PZ -0.08421 -0.01759 -0.01750 0.00478 -0.02913 89 3S -3.14557 -0.20735 -1.03550 -0.26948 -0.42644 90 3PX -1.23004 -0.08246 -0.40717 -0.03825 -0.19545 91 3PY -0.53640 0.05194 -0.22294 -0.14428 0.04309 92 3PZ -1.31415 -0.02234 -0.38914 -0.03339 -0.09450 93 4XX -0.22846 -0.02247 0.00534 0.01804 -0.04931 94 4YY 0.29243 0.00205 -0.00566 -0.04839 -0.01554 95 4ZZ -0.05808 -0.00929 -0.01546 0.05293 0.00266 96 4XY 0.06453 0.00881 -0.03098 -0.01534 0.02451 97 4XZ -0.34518 -0.03732 -0.02879 0.03096 -0.06113 98 4YZ -0.20032 0.00521 0.01932 -0.04912 0.01943 99 11 C 1S -0.03644 0.00324 -0.00785 -0.00508 0.00694 100 2S -0.29402 0.05995 -0.04154 0.01531 0.13544 101 2PX 0.12051 -0.00293 0.03307 0.00523 -0.01192 102 2PY 0.19050 -0.00779 0.00860 -0.03251 -0.04015 103 2PZ 0.08428 -0.01761 0.01754 -0.00478 -0.02912 104 3S 3.14568 -0.20853 1.03563 0.26959 -0.42643 105 3PX 1.22990 -0.08284 0.40717 0.03827 -0.19536 106 3PY -0.53658 -0.05162 -0.22302 -0.14427 -0.04288 107 3PZ 1.31400 -0.02275 0.38912 0.03338 -0.09444 108 4XX 0.22848 -0.02244 -0.00536 -0.01803 -0.04926 109 4YY -0.29254 0.00203 0.00567 0.04840 -0.01562 110 4ZZ 0.05814 -0.00928 0.01547 -0.05295 0.00268 111 4XY 0.06431 -0.00881 -0.03097 -0.01532 -0.02447 112 4XZ 0.34523 -0.03742 0.02881 -0.03096 -0.06110 113 4YZ -0.20047 -0.00518 0.01934 -0.04910 -0.01939 114 12 C 1S 0.07982 -0.00424 0.01700 0.00219 -0.01092 115 2S 0.83721 -0.03467 0.48238 0.16648 -0.07338 116 2PX 0.12909 -0.01677 0.04248 -0.00101 -0.02463 117 2PY 0.01610 -0.00265 -0.08054 -0.02809 -0.00836 118 2PZ -0.01712 -0.01863 0.09845 -0.04599 -0.02221 119 3S -4.27749 0.16209 -1.05830 -0.35934 0.44499 120 3PX 0.17263 -0.02300 0.05197 -0.08360 -0.04701 121 3PY 1.92027 -0.03094 0.68745 0.18299 -0.15626 122 3PZ -0.39679 -0.11325 0.18556 -0.05300 -0.17437 123 4XX 0.23977 0.02706 -0.18562 0.01998 0.03293 124 4YY -0.16956 0.01129 -0.00201 -0.02502 0.00305 125 4ZZ -0.29001 -0.03067 0.05341 -0.06296 -0.02618 126 4XY -0.19879 0.03011 0.03040 0.01937 0.04583 127 4XZ -0.28933 0.00069 0.04612 -0.01699 0.03653 128 4YZ 0.07344 0.02825 -0.12961 0.04422 0.04024 129 13 C 1S -0.03529 -0.00444 0.01175 -0.00772 -0.00607 130 2S -0.21546 -0.04659 0.27631 -0.03907 0.02168 131 2PX -0.06097 -0.00917 0.05048 -0.01276 0.01710 132 2PY 0.12105 0.01042 -0.04003 0.01735 -0.00858 133 2PZ -0.20582 -0.00093 -0.06668 -0.02578 -0.00322 134 3S 2.28318 0.12411 -0.19894 0.33568 0.04018 135 3PX -0.34296 0.03077 -0.49661 0.02459 -0.05191 136 3PY 0.21078 0.01825 -0.04637 -0.02016 0.04520 137 3PZ -0.97259 -0.04559 0.40361 -0.15962 0.01749 138 4XX -0.01230 -0.00319 -0.06134 -0.01236 -0.01494 139 4YY -0.35540 -0.00818 0.13330 -0.04037 -0.02519 140 4ZZ 0.36183 0.01972 -0.14066 0.04830 0.00306 141 4XY -0.04691 -0.00772 0.04526 -0.00380 -0.02317 142 4XZ 0.17534 -0.00251 -0.08612 0.02021 -0.01353 143 4YZ -0.15774 -0.01570 0.03244 -0.01508 -0.01006 144 14 C 1S 0.03531 -0.00445 -0.01175 0.00772 -0.00607 145 2S 0.21550 -0.04669 -0.27633 0.03907 0.02177 146 2PX 0.06104 -0.00919 -0.05046 0.01277 0.01709 147 2PY 0.12107 -0.01047 -0.04004 0.01734 0.00855 148 2PZ 0.20594 -0.00097 0.06670 0.02579 -0.00323 149 3S -2.28375 0.12484 0.19894 -0.33575 0.03984 150 3PX 0.34318 0.03078 0.49663 -0.02454 -0.05187 151 3PY 0.21063 -0.01823 -0.04623 -0.02017 -0.04539 152 3PZ 0.97290 -0.04595 -0.40375 0.15964 0.01755 153 4XX 0.01235 -0.00314 0.06141 0.01236 -0.01492 154 4YY 0.35552 -0.00832 -0.13331 0.04039 -0.02528 155 4ZZ -0.36197 0.01982 0.14061 -0.04831 0.00311 156 4XY -0.04695 0.00769 0.04528 -0.00380 0.02318 157 4XZ -0.17553 -0.00244 0.08609 -0.02023 -0.01350 158 4YZ -0.15769 0.01568 0.03240 -0.01508 0.01006 159 15 C 1S -0.07983 -0.00421 -0.01699 -0.00219 -0.01092 160 2S -0.83721 -0.03441 -0.48241 -0.16645 -0.07346 161 2PX -0.12906 -0.01673 -0.04252 0.00101 -0.02467 162 2PY 0.01613 0.00267 -0.08054 -0.02810 0.00838 163 2PZ 0.01720 -0.01862 -0.09844 0.04598 -0.02223 164 3S 4.27783 0.16081 1.05809 0.35925 0.44525 165 3PX -0.17203 -0.02297 -0.05188 0.08365 -0.04704 166 3PY 1.92048 0.03034 0.68744 0.18294 0.15638 167 3PZ 0.39747 -0.11334 -0.18531 0.05311 -0.17441 168 4XX -0.23994 0.02705 0.18553 -0.01998 0.03294 169 4YY 0.16948 0.01125 0.00211 0.02500 0.00311 170 4ZZ 0.29022 -0.03070 -0.05339 0.06298 -0.02619 171 4XY -0.19858 -0.03005 0.03039 0.01939 -0.04589 172 4XZ 0.28955 0.00058 -0.04618 0.01703 0.03653 173 4YZ 0.07352 -0.02830 -0.12956 0.04422 -0.04029 174 16 H 1S 0.12362 0.02201 -0.01168 0.00244 0.02007 175 2S -0.42550 -0.00032 -0.13493 -0.01617 -0.02759 176 17 H 1S -0.12370 0.02204 0.01168 -0.00244 0.02007 177 2S 0.42545 -0.00045 0.13492 0.01617 -0.02758 178 18 H 1S 0.11628 -0.02565 -0.04147 0.01883 -0.02166 179 2S -0.44609 0.01675 -0.11995 -0.05357 0.03661 180 19 H 1S -0.09128 0.00560 0.11180 -0.02476 0.02015 181 2S -0.08267 -0.05640 0.10170 -0.00537 0.00228 182 20 H 1S 0.09128 0.00551 -0.11179 0.02476 0.02015 183 2S 0.08267 -0.05643 -0.10174 0.00537 0.00224 184 21 H 1S -0.11620 -0.02562 0.04146 -0.01883 -0.02169 185 2S 0.44612 0.01659 0.11997 0.05355 0.03662 186 22 H 1S -0.08222 -0.00730 -0.06371 -0.00165 -0.02117 187 2S -0.07224 0.01780 -0.22398 0.01486 -0.02810 188 23 H 1S 0.08220 -0.00730 0.06372 0.00166 -0.02115 189 2S 0.07223 0.01783 0.22402 -0.01485 -0.02809 176 177 178 179 180 V V V V V Eigenvalues -- 2.94456 3.10576 3.13119 4.00622 4.10578 1 1 C 1S -0.01523 0.05495 -0.02322 -0.01588 0.08282 2 2S -0.20088 0.14358 -0.05599 0.24721 -0.76958 3 2PX 0.01443 -0.40497 0.06183 -0.05286 0.15492 4 2PY 0.06655 0.23588 -0.03995 0.04192 0.10389 5 2PZ -0.03107 -0.19921 0.03809 -0.00440 0.06218 6 3S 1.13285 -2.85758 1.07672 -0.87302 2.53952 7 3PX 0.19109 -1.00641 0.26736 -0.33972 1.11904 8 3PY 0.48963 -0.28833 0.34380 0.07253 0.49188 9 3PZ 0.48596 -1.49299 0.47250 -0.33712 1.34330 10 4XX -0.03890 -0.30786 0.04768 -0.04398 0.40530 11 4YY 0.12584 0.24497 -0.04001 -0.07707 0.50449 12 4ZZ -0.00489 0.00967 -0.03496 -0.05322 0.37493 13 4XY -0.02564 0.44148 -0.06496 -0.08593 0.01244 14 4XZ 0.03151 -0.47073 0.07871 -0.05439 0.12126 15 4YZ -0.01451 0.33450 -0.07147 -0.06455 0.03972 16 2 O 1S 0.00778 0.00147 -0.00816 -0.38225 0.39998 17 2S 0.14691 -0.41005 0.13670 -0.38938 0.57610 18 2PX 0.00760 -0.00747 -0.00147 0.05584 -0.07602 19 2PY 0.00947 0.02955 -0.00259 -0.13502 0.17063 20 2PZ 0.00772 -0.00940 0.00617 0.02055 -0.00397 21 3S -0.59142 1.45536 -0.40969 4.65391 -5.24154 22 3PX 0.06274 -1.36950 0.28295 -0.18057 0.81928 23 3PY -0.20471 -0.03388 -0.06798 0.95536 -0.82522 24 3PZ -0.02824 -0.98145 0.16663 -0.01576 0.39194 25 4XX -0.00153 0.50053 -0.12351 -1.23322 1.20328 26 4YY -0.04086 -0.38761 0.02780 -1.13402 1.25927 27 4ZZ 0.04661 0.13356 -0.04522 -1.29802 1.35557 28 4XY -0.04397 -0.42487 0.07226 0.03972 0.14550 29 4XZ -0.02102 0.40037 -0.06595 0.08296 -0.23272 30 4YZ -0.07273 -0.38086 0.05790 0.08591 0.07045 31 3 C 1S 0.00000 0.00000 0.00000 -0.11845 0.00002 32 2S -0.00004 0.00000 -0.00001 0.95151 -0.00005 33 2PX 0.00003 0.00001 0.00000 0.13753 0.00002 34 2PY -0.14722 -0.36051 0.02390 0.00000 -0.06092 35 2PZ 0.00001 -0.00003 0.00000 0.11879 0.00002 36 3S -0.00014 -0.00007 0.00001 -2.06039 -0.00071 37 3PX -0.00004 0.00003 -0.00002 0.55604 0.00018 38 3PY -0.11068 -0.80259 0.11818 -0.00003 -0.41054 39 3PZ 0.00002 -0.00009 0.00000 0.60167 0.00011 40 4XX 0.00002 0.00000 0.00000 -0.55714 0.00006 41 4YY -0.00005 -0.00008 0.00001 -0.37552 0.00012 42 4ZZ 0.00003 0.00007 -0.00001 -0.55297 0.00004 43 4XY 0.09551 0.36566 -0.03348 0.00001 -0.04178 44 4XZ 0.00001 0.00004 0.00000 -0.05093 -0.00004 45 4YZ 0.09449 0.34656 -0.03852 0.00003 -0.11136 46 4 C 1S 0.01522 -0.05496 0.02322 -0.01586 -0.08304 47 2S 0.20098 -0.14360 0.05602 0.24704 0.77117 48 2PX -0.01436 0.40499 -0.06182 -0.05283 -0.15500 49 2PY 0.06655 0.23584 -0.03996 -0.04195 0.10379 50 2PZ 0.03115 0.19928 -0.03809 -0.00441 -0.06219 51 3S -1.13264 2.85781 -1.07667 -0.87254 -2.53942 52 3PX -0.19103 1.00640 -0.26737 -0.33944 -1.11913 53 3PY 0.48987 -0.28856 0.34398 -0.07261 0.49216 54 3PZ -0.48585 1.49298 -0.47248 -0.33684 -1.34343 55 4XX 0.03893 0.30788 -0.04768 -0.04391 -0.40625 56 4YY -0.12588 -0.24511 0.04002 -0.07696 -0.50534 57 4ZZ 0.00489 -0.00955 0.03492 -0.05311 -0.37585 58 4XY -0.02560 0.44139 -0.06495 0.08594 0.01246 59 4XZ -0.03143 0.47084 -0.07873 -0.05434 -0.12130 60 4YZ -0.01452 0.33445 -0.07146 0.06454 0.03969 61 5 H 1S -0.00001 0.00001 0.00000 0.22973 0.00004 62 2S 0.00003 0.00001 0.00001 -0.03669 0.00004 63 6 H 1S 0.00001 0.00000 0.00000 0.22760 0.00003 64 2S 0.00003 -0.00001 0.00001 0.00609 0.00004 65 7 O 1S -0.00778 -0.00147 0.00816 -0.38216 -0.40011 66 2S -0.14684 0.41007 -0.13669 -0.38927 -0.57633 67 2PX -0.00762 0.00747 0.00147 0.05582 0.07599 68 2PY 0.00949 0.02955 -0.00258 0.13498 0.17068 69 2PZ -0.00771 0.00940 -0.00617 0.02058 0.00399 70 3S 0.59132 -1.45544 0.40970 4.65280 5.24347 71 3PX -0.06248 1.36958 -0.28293 -0.18040 -0.81941 72 3PY -0.20480 -0.03409 -0.06797 -0.95518 -0.82563 73 3PZ 0.02834 0.98154 -0.16663 -0.01589 -0.39217 74 4XX 0.00144 -0.50053 0.12349 -1.23295 -1.20365 75 4YY 0.04094 0.38776 -0.02783 -1.13370 -1.25970 76 4ZZ -0.04668 -0.13369 0.04523 -1.29775 -1.35598 77 4XY -0.04408 -0.42483 0.07224 -0.03977 0.14552 78 4XZ 0.02096 -0.40048 0.06596 0.08291 0.23288 79 4YZ -0.07279 -0.38077 0.05788 -0.08588 0.07049 80 8 H 1S -0.01793 0.14802 -0.05659 0.08758 0.07025 81 2S -0.14518 0.20834 -0.09794 -0.04059 -0.40011 82 9 H 1S 0.01791 -0.14803 0.05657 0.08759 -0.07012 83 2S 0.14514 -0.20838 0.09790 -0.04070 0.39987 84 10 C 1S 0.00100 0.00436 -0.05714 -0.03379 0.00883 85 2S -0.02739 0.22681 0.08204 0.31078 -0.39488 86 2PX -0.17675 0.01770 0.08614 -0.02375 0.02797 87 2PY 0.40582 -0.01750 0.07878 0.03270 0.02159 88 2PZ -0.16364 -0.00505 0.04918 -0.03624 0.03557 89 3S 0.11103 -1.02780 2.10618 -0.18954 1.45259 90 3PX -0.68040 -0.37073 0.61999 -0.12017 0.55506 91 3PY 1.46909 -0.34318 0.58821 0.03477 0.60843 92 3PZ -0.45996 -0.21241 0.71494 -0.05087 0.45543 93 4XX -0.35289 -0.04139 -0.14046 -0.18799 0.14962 94 4YY 0.64459 -0.00436 0.38802 -0.14225 0.22087 95 4ZZ -0.26138 -0.05614 -0.35632 -0.15352 0.09977 96 4XY 0.27757 -0.13535 -0.55062 0.01525 -0.01981 97 4XZ -0.38715 -0.03622 0.02792 -0.03909 0.07219 98 4YZ 0.31034 -0.08214 -0.45037 0.01224 -0.04286 99 11 C 1S -0.00099 -0.00436 0.05714 -0.03378 -0.00899 100 2S 0.02734 -0.22677 -0.08204 0.31078 0.39606 101 2PX 0.17683 -0.01768 -0.08611 -0.02376 -0.02796 102 2PY 0.40578 -0.01750 0.07884 -0.03270 0.02157 103 2PZ 0.16370 0.00507 -0.04916 -0.03625 -0.03556 104 3S -0.11107 1.02799 -2.10612 -0.18974 -1.45263 105 3PX 0.68069 0.37072 -0.61984 -0.12030 -0.55507 106 3PY 1.46884 -0.34321 0.58839 -0.03484 0.60850 107 3PZ 0.46019 0.21237 -0.71481 -0.05098 -0.45544 108 4XX 0.35300 0.04134 0.14028 -0.18800 -0.15027 109 4YY -0.64474 0.00440 -0.38773 -0.14223 -0.22145 110 4ZZ 0.26146 0.05612 0.35619 -0.15352 -0.10042 111 4XY 0.27733 -0.13536 -0.55070 -0.01524 -0.01981 112 4XZ 0.38725 0.03621 -0.02806 -0.03910 -0.07222 113 4YZ 0.31013 -0.08215 -0.45048 -0.01223 -0.04286 114 12 C 1S 0.00270 0.00737 -0.05161 0.01871 0.02604 115 2S -0.22329 0.37735 -0.09999 -0.25461 -0.58015 116 2PX 0.21135 0.01236 -0.17929 -0.02142 -0.05977 117 2PY 0.14415 -0.05425 -0.05555 0.00597 0.00029 118 2PZ 0.24010 0.02623 -0.11043 -0.02750 -0.03780 119 3S -0.36146 -0.85278 1.91472 0.29248 1.23145 120 3PX 0.85910 -0.08784 -0.11738 -0.05166 0.08994 121 3PY -0.03551 0.47504 -0.86080 -0.18178 -0.81125 122 3PZ 1.12975 -0.03575 0.21900 -0.07161 0.20523 123 4XX -0.15731 -0.07175 0.09824 0.13837 0.26039 124 4YY -0.04289 -0.11043 -0.46045 0.10319 0.20053 125 4ZZ 0.17121 0.02610 0.34369 0.09645 0.23188 126 4XY -0.39085 0.01010 -0.01696 0.03131 0.01395 127 4XZ -0.17259 0.07736 0.44746 0.01484 0.08643 128 4YZ -0.46130 0.01151 0.00051 0.04410 -0.00811 129 13 C 1S 0.00107 0.00688 0.03691 0.06652 0.01606 130 2S -0.06634 0.19563 -0.02989 -0.46088 0.06901 131 2PX 0.03444 0.02767 0.02569 -0.01904 0.03805 132 2PY -0.12632 0.00899 -0.05811 0.02753 -0.01920 133 2PZ 0.12789 -0.05875 0.14380 0.00922 0.03085 134 3S -0.24497 -0.11452 -1.19789 -0.20587 -0.86954 135 3PX 0.09389 -0.34143 0.16165 0.12594 0.03443 136 3PY -0.72621 0.15674 0.02063 -0.03476 0.17301 137 3PZ 0.55362 0.09804 0.32375 0.00220 0.47734 138 4XX -0.01175 -0.01194 0.20101 0.28881 0.05186 139 4YY 0.36521 -0.06424 0.00085 0.24083 0.00082 140 4ZZ -0.34535 -0.00600 -0.07846 0.24867 -0.04262 141 4XY 0.04029 0.02393 0.06245 -0.00048 -0.00707 142 4XZ -0.11565 -0.00297 0.01338 -0.02081 -0.06515 143 4YZ 0.10589 0.03774 0.31211 0.00149 0.01850 144 14 C 1S -0.00107 -0.00688 -0.03692 0.06653 -0.01624 145 2S 0.06638 -0.19565 0.02991 -0.46107 -0.06793 146 2PX -0.03447 -0.02766 -0.02573 -0.01904 -0.03806 147 2PY -0.12627 0.00897 -0.05810 -0.02752 -0.01919 148 2PZ -0.12792 0.05877 -0.14383 0.00922 -0.03088 149 3S 0.24499 0.11448 1.19804 -0.20572 0.87006 150 3PX -0.09391 0.34142 -0.16175 0.12605 -0.03457 151 3PY -0.72614 0.15683 0.02067 0.03496 0.17310 152 3PZ -0.55371 -0.09810 -0.32377 0.00229 -0.47726 153 4XX 0.01180 0.01196 -0.20103 0.28891 -0.05253 154 4YY -0.36526 0.06423 -0.00098 0.24093 -0.00142 155 4ZZ 0.34533 0.00599 0.07856 0.24871 0.04193 156 4XY 0.04033 0.02393 0.06247 0.00049 -0.00707 157 4XZ 0.11574 0.00295 -0.01326 -0.02082 0.06519 158 4YZ 0.10569 0.03777 0.31210 -0.00152 0.01854 159 15 C 1S -0.00270 -0.00736 0.05162 0.01872 -0.02619 160 2S 0.22326 -0.37737 0.10001 -0.25470 0.58104 161 2PX -0.21131 -0.01240 0.17930 -0.02143 0.05976 162 2PY 0.14422 -0.05425 -0.05561 -0.00595 0.00031 163 2PZ -0.24006 -0.02623 0.11043 -0.02751 0.03781 164 3S 0.36153 0.85257 -1.91493 0.29235 -1.23083 165 3PX -0.85926 0.08797 0.11717 -0.05149 -0.09023 166 3PY -0.03515 0.47493 -0.86086 0.18168 -0.81121 167 3PZ -1.12969 0.03594 -0.21919 -0.07135 -0.20553 168 4XX 0.15718 0.07171 -0.09827 0.13840 -0.26089 169 4YY 0.04316 0.11046 0.46046 0.10326 -0.20114 170 4ZZ -0.17135 -0.02604 -0.34366 0.09650 -0.23236 171 4XY -0.39094 0.01015 -0.01676 -0.03131 0.01394 172 4XZ 0.17239 -0.07736 -0.44757 0.01483 -0.08638 173 4YZ -0.46126 0.01156 0.00076 -0.04408 -0.00809 174 16 H 1S 0.00031 0.07454 0.29570 0.03218 0.00490 175 2S 0.02805 -0.12663 0.07930 -0.03813 0.21907 176 17 H 1S -0.00030 -0.07456 -0.29569 0.03219 -0.00480 177 2S -0.02803 0.12662 -0.07928 -0.03815 -0.21920 178 18 H 1S 0.03106 0.04416 0.20523 -0.01767 -0.00161 179 2S 0.00283 -0.14008 0.04756 0.08717 0.23773 180 19 H 1S 0.01114 0.03981 -0.04582 -0.01860 0.10078 181 2S -0.00862 0.10172 0.09747 -0.03425 -0.14555 182 20 H 1S -0.01115 -0.03980 0.04579 -0.01863 -0.10072 183 2S 0.00856 -0.10171 -0.09746 -0.03436 0.14549 184 21 H 1S -0.03106 -0.04417 -0.20522 -0.01769 0.00167 185 2S -0.00284 0.14006 -0.04757 0.08714 -0.23789 186 22 H 1S 0.00178 -0.03759 0.01600 -0.02332 -0.01829 187 2S 0.00278 -0.13848 0.07821 0.11744 -0.06028 188 23 H 1S -0.00178 0.03760 -0.01599 -0.02333 0.01837 189 2S -0.00280 0.13850 -0.07823 0.11745 0.06008 181 182 183 184 185 V V V V V Eigenvalues -- 4.12767 4.25202 4.26809 4.36207 4.37018 1 1 C 1S -0.19133 -0.07301 0.14514 0.25564 0.11820 2 2S 1.23056 0.54278 -0.63413 -1.30857 -0.92899 3 2PX -0.05224 -0.01536 0.00532 0.01095 0.03726 4 2PY 0.06968 0.06630 0.00609 -0.03779 0.08652 5 2PZ -0.03588 -0.00412 0.04881 0.08640 0.03201 6 3S 0.46601 -0.12382 -0.41158 -1.23898 -0.31735 7 3PX 0.05134 -0.27429 0.01901 0.02044 -0.32892 8 3PY -0.03796 -0.04789 -0.18473 0.09209 0.03823 9 3PZ -0.00297 -0.29399 -0.16509 -0.24567 0.02323 10 4XX -0.77691 -0.32358 0.50707 0.99661 0.56055 11 4YY -0.69182 -0.27514 0.44728 0.87220 0.64140 12 4ZZ -0.76268 -0.32082 0.52724 0.98166 0.52053 13 4XY 0.01169 0.00351 -0.02672 -0.04982 -0.03224 14 4XZ -0.01773 -0.06143 -0.00856 0.06508 0.00598 15 4YZ -0.00494 0.02031 0.00692 0.00398 0.00792 16 2 O 1S -0.01917 -0.09698 0.06218 -0.11344 -0.05536 17 2S -0.04232 -0.20542 -0.03586 -0.09092 -0.03469 18 2PX -0.03442 -0.00225 0.04231 0.04603 0.02274 19 2PY -0.00370 -0.02743 0.05073 -0.07971 -0.03111 20 2PZ -0.03322 -0.00119 0.03427 0.01600 0.02040 21 3S 0.27983 1.47887 -0.67566 1.52483 0.68665 22 3PX -0.02161 -0.14849 0.04669 -0.11366 0.04053 23 3PY 0.10459 0.36502 0.07357 0.10064 0.06062 24 3PZ 0.01840 -0.05680 0.08290 0.00387 -0.00981 25 4XX -0.00479 -0.26626 0.16932 -0.44014 -0.23292 26 4YY -0.07176 -0.25343 0.41479 -0.46440 -0.18912 27 4ZZ -0.03590 -0.31341 0.17578 -0.43514 -0.19951 28 4XY -0.04952 -0.01884 0.14323 -0.02006 0.03235 29 4XZ 0.06895 0.07571 0.01343 -0.13455 -0.04384 30 4YZ -0.02822 0.01153 0.14880 -0.02491 0.02475 31 3 C 1S 0.06725 -0.05276 -0.40593 0.21152 0.00020 32 2S -0.25834 0.37084 2.24824 -1.34952 -0.00129 33 2PX 0.00836 0.05115 0.11163 -0.04492 -0.00005 34 2PY 0.00004 0.00000 -0.00002 0.00001 -0.00150 35 2PZ 0.00504 0.06353 0.10705 -0.04133 -0.00004 36 3S -0.67830 -0.51207 2.05279 -1.32862 -0.00125 37 3PX 0.13191 0.20291 -0.09312 -0.02950 -0.00002 38 3PY 0.00020 0.00001 -0.00001 -0.00012 0.14476 39 3PZ 0.09209 0.13858 -0.02571 -0.04792 -0.00005 40 4XX 0.21285 -0.22444 -1.53743 0.88458 0.00086 41 4YY 0.23199 -0.21311 -1.73834 0.98680 0.00093 42 4ZZ 0.22390 -0.24379 -1.56218 0.85064 0.00082 43 4XY 0.00002 0.00001 0.00001 -0.00002 0.00710 44 4XZ -0.03895 -0.03610 -0.03270 0.07872 0.00008 45 4YZ 0.00006 0.00002 -0.00002 0.00001 0.00643 46 4 C 1S -0.19123 -0.07298 0.14513 0.25585 -0.11768 47 2S 1.22959 0.54259 -0.63409 -1.31022 0.92633 48 2PX -0.05205 -0.01532 0.00531 0.01102 -0.03722 49 2PY -0.06980 -0.06633 -0.00610 0.03762 0.08658 50 2PZ -0.03582 -0.00412 0.04880 0.08646 -0.03181 51 3S 0.46872 -0.12339 -0.41164 -1.23955 0.31504 52 3PX 0.05251 -0.27396 0.01891 0.01981 0.32901 53 3PY 0.03748 0.04788 0.18474 -0.09217 0.03818 54 3PZ -0.00149 -0.29371 -0.16513 -0.24570 -0.02370 55 4XX -0.77639 -0.32345 0.50704 0.99759 -0.55854 56 4YY -0.69119 -0.27499 0.44725 0.87334 -0.63964 57 4ZZ -0.76220 -0.32071 0.52720 0.98257 -0.51854 58 4XY -0.01170 -0.00349 0.02672 0.04987 -0.03216 59 4XZ -0.01761 -0.06140 -0.00856 0.06510 -0.00585 60 4YZ 0.00491 -0.02029 -0.00694 -0.00403 0.00788 61 5 H 1S 0.00038 0.06944 0.08061 -0.02107 -0.00002 62 2S 0.13000 0.03738 -0.44944 0.33235 0.00032 63 6 H 1S 0.00423 0.05873 0.08712 -0.02326 -0.00003 64 2S 0.07080 -0.04075 -0.42369 0.27734 0.00026 65 7 O 1S -0.01874 -0.09689 0.06217 -0.11354 0.05517 66 2S -0.04167 -0.20527 -0.03589 -0.09099 0.03455 67 2PX -0.03451 -0.00227 0.04231 0.04606 -0.02266 68 2PY 0.00352 0.02739 -0.05074 0.07976 -0.03095 69 2PZ -0.03322 -0.00118 0.03427 0.01605 -0.02038 70 3S 0.27415 1.47770 -0.67542 1.52609 -0.68405 71 3PX -0.02068 -0.14828 0.04665 -0.11361 -0.04068 72 3PY -0.10370 -0.36483 -0.07363 -0.10074 0.06043 73 3PZ 0.01880 -0.05678 0.08285 0.00380 0.00987 74 4XX -0.00351 -0.26600 0.16928 -0.44055 0.23215 75 4YY -0.07041 -0.25315 0.41480 -0.46475 0.18833 76 4ZZ -0.03443 -0.31312 0.17567 -0.43548 0.19877 77 4XY 0.04934 0.01878 -0.14322 0.02004 0.03238 78 4XZ 0.06870 0.07566 0.01342 -0.13461 0.04358 79 4YZ 0.02814 -0.01153 -0.14874 0.02486 0.02479 80 8 H 1S 0.09940 0.01253 -0.08137 -0.07099 0.08951 81 2S -0.18668 -0.17305 0.01694 0.20817 -0.13699 82 9 H 1S 0.09950 0.01254 -0.08136 -0.07082 -0.08968 83 2S -0.18711 -0.17313 0.01695 0.20792 0.13736 84 10 C 1S -0.19909 0.26091 -0.08459 -0.04566 0.23400 85 2S 1.36050 -1.42313 0.52569 0.31152 -1.43975 86 2PX -0.01081 0.10546 -0.01640 0.01666 0.05132 87 2PY 0.05854 -0.05466 0.03042 -0.00811 0.17046 88 2PZ 0.00892 0.06995 0.00808 0.04121 0.01016 89 3S 0.35559 -1.12998 0.30803 -0.08000 -0.43247 90 3PX -0.04335 -0.24743 0.00219 -0.07947 0.22244 91 3PY -0.02116 0.03250 -0.08942 0.01378 -0.12386 92 3PZ -0.07028 -0.16176 -0.04675 -0.08690 0.35800 93 4XX -0.78736 1.01441 -0.31977 -0.15160 0.89751 94 4YY -0.73426 0.88729 -0.30690 -0.16467 1.13761 95 4ZZ -0.78838 1.02350 -0.33936 -0.17409 0.89923 96 4XY 0.00318 -0.02562 0.00046 -0.02790 -0.02961 97 4XZ -0.01742 0.02810 -0.01100 0.00841 0.00805 98 4YZ -0.00182 -0.03113 -0.00868 -0.04187 0.00219 99 11 C 1S -0.19906 0.26088 -0.08455 -0.04514 -0.23416 100 2S 1.35995 -1.42298 0.52541 0.30837 1.44077 101 2PX -0.01079 0.10548 -0.01640 0.01677 -0.05131 102 2PY -0.05858 0.05466 -0.03045 0.00773 0.17045 103 2PZ 0.00894 0.06997 0.00807 0.04123 -0.01009 104 3S 0.35715 -1.12968 0.30778 -0.08148 0.43266 105 3PX -0.04272 -0.24737 0.00222 -0.07917 -0.22254 106 3PY 0.02043 -0.03259 0.08961 -0.01332 -0.12379 107 3PZ -0.06975 -0.16170 -0.04672 -0.08633 -0.35814 108 4XX -0.78713 1.01431 -0.31959 -0.14961 -0.89812 109 4YY -0.73391 0.88717 -0.30669 -0.16219 -1.13819 110 4ZZ -0.78822 1.02339 -0.33918 -0.17210 -0.89987 111 4XY -0.00314 0.02560 -0.00045 0.02796 -0.02962 112 4XZ -0.01733 0.02813 -0.01100 0.00844 -0.00806 113 4YZ 0.00188 0.03113 0.00868 0.04187 0.00222 114 12 C 1S -0.10992 -0.06753 -0.02795 -0.12690 -0.19393 115 2S 0.69644 0.34317 0.06209 0.55790 0.67765 116 2PX -0.05138 0.09099 -0.03156 -0.00714 -0.09424 117 2PY -0.04692 0.05454 -0.00658 0.02414 0.04398 118 2PZ -0.00558 0.10238 -0.00153 0.01742 -0.02710 119 3S 0.23697 0.50314 0.05704 0.67873 1.49682 120 3PX -0.03904 -0.16179 0.10921 0.07511 -0.08008 121 3PY -0.00451 -0.15503 -0.10798 -0.10165 -0.70497 122 3PZ -0.03961 -0.19926 0.06670 -0.13909 0.01765 123 4XX -0.38383 -0.31965 -0.04957 -0.40153 -0.61337 124 4YY -0.43511 -0.27963 -0.10317 -0.49435 -0.60552 125 4ZZ -0.33234 -0.22113 -0.01346 -0.40598 -0.54964 126 4XY 0.03496 -0.07465 -0.01681 -0.03148 0.05349 127 4XZ 0.07324 -0.04744 0.02946 -0.03631 0.13771 128 4YZ -0.00687 -0.09564 -0.01766 -0.00658 0.01177 129 13 C 1S -0.14562 -0.21558 -0.11472 -0.13161 -0.11928 130 2S 0.90776 1.08854 0.64735 0.60457 0.82062 131 2PX -0.00342 0.01852 -0.01040 -0.04724 -0.01359 132 2PY -0.02242 -0.00013 -0.01533 0.01487 0.03981 133 2PZ -0.01944 0.03380 0.03516 0.03758 0.02211 134 3S 0.48782 0.94715 0.35311 0.53385 -0.07820 135 3PX 0.01738 -0.02345 0.07094 0.18547 0.21865 136 3PY 0.06759 0.06730 0.01878 0.02661 0.13382 137 3PZ 0.08566 -0.04611 0.02141 -0.07471 0.30245 138 4XX -0.57847 -0.82332 -0.44157 -0.48386 -0.48388 139 4YY -0.50049 -0.70372 -0.39420 -0.42601 -0.56276 140 4ZZ -0.56877 -0.80155 -0.46373 -0.45524 -0.46957 141 4XY -0.00709 0.00233 0.00011 0.00632 -0.01884 142 4XZ 0.00280 0.01462 -0.01214 0.01366 0.02761 143 4YZ -0.01477 -0.01444 -0.00121 -0.04837 -0.03775 144 14 C 1S -0.14560 -0.21556 -0.11470 -0.13176 0.11898 145 2S 0.90785 1.08851 0.64712 0.60557 -0.81920 146 2PX -0.00338 0.01852 -0.01041 -0.04728 0.01352 147 2PY 0.02245 0.00014 0.01533 -0.01494 0.03979 148 2PZ -0.01940 0.03380 0.03516 0.03762 -0.02202 149 3S 0.48684 0.94683 0.35322 0.53352 0.07952 150 3PX 0.01735 -0.02328 0.07107 0.18602 -0.21844 151 3PY -0.06779 -0.06739 -0.01883 -0.02678 0.13382 152 3PZ 0.08622 -0.04597 0.02123 -0.07443 -0.30258 153 4XX -0.57842 -0.82323 -0.44146 -0.48444 0.48276 154 4YY -0.50051 -0.70364 -0.39409 -0.42673 0.56180 155 4ZZ -0.56882 -0.80153 -0.46360 -0.45579 0.46848 156 4XY 0.00710 -0.00234 -0.00012 -0.00628 -0.01888 157 4XZ 0.00274 0.01460 -0.01212 0.01375 -0.02759 158 4YZ 0.01476 0.01446 0.00124 0.04845 -0.03765 159 15 C 1S -0.10990 -0.06746 -0.02800 -0.12728 0.19375 160 2S 0.69587 0.34276 0.06238 0.55937 -0.67701 161 2PX -0.05144 0.09098 -0.03157 -0.00735 0.09421 162 2PY 0.04693 -0.05455 0.00657 -0.02422 0.04395 163 2PZ -0.00562 0.10238 -0.00154 0.01733 0.02713 164 3S 0.23836 0.50311 0.05709 0.68130 -1.49599 165 3PX -0.03886 -0.16177 0.10911 0.07492 0.08011 166 3PY 0.00541 0.15518 0.10791 0.10279 -0.70485 167 3PZ -0.03936 -0.19912 0.06658 -0.13903 -0.01809 168 4XX -0.38357 -0.31936 -0.04973 -0.40276 0.61292 169 4YY -0.43492 -0.27943 -0.10335 -0.49560 0.60481 170 4ZZ -0.33212 -0.22083 -0.01365 -0.40714 0.54919 171 4XY -0.03499 0.07468 0.01678 0.03136 0.05355 172 4XZ 0.07336 -0.04739 0.02947 -0.03603 -0.13775 173 4YZ 0.00684 0.09565 0.01760 0.00650 0.01181 174 16 H 1S 0.08719 -0.09945 0.02932 0.04037 -0.06152 175 2S -0.18592 0.14599 -0.12019 -0.09075 0.28236 176 17 H 1S 0.08720 -0.09943 0.02930 0.04022 0.06162 177 2S -0.18563 0.14601 -0.12017 -0.09021 -0.28258 178 18 H 1S 0.06190 0.03236 0.03185 0.04760 0.07626 179 2S -0.09589 -0.01857 0.01566 -0.11210 0.06920 180 19 H 1S 0.06187 0.06902 0.03399 0.02826 0.03718 181 2S -0.18192 -0.21807 -0.14852 -0.26735 -0.21430 182 20 H 1S 0.06201 0.06903 0.03395 0.02827 -0.03714 183 2S -0.18207 -0.21820 -0.14857 -0.26771 0.21382 184 21 H 1S 0.06190 0.03234 0.03188 0.04775 -0.07618 185 2S -0.09564 -0.01850 0.01561 -0.11205 -0.06937 186 22 H 1S 0.05451 0.05963 0.04197 0.05713 0.08186 187 2S -0.17669 -0.22842 -0.07688 -0.01549 -0.14866 188 23 H 1S 0.05446 0.05966 0.04198 0.05730 -0.08173 189 2S -0.17678 -0.22839 -0.07682 -0.01561 0.14854 186 187 188 189 V V V V Eigenvalues -- 4.44858 4.48935 4.64966 4.87452 1 1 C 1S 0.00626 -0.17829 -0.24163 -0.21136 2 2S 0.16556 0.98127 0.91679 0.15201 3 2PX -0.00816 -0.01937 0.00520 0.08700 4 2PY -0.00341 -0.09664 -0.10306 -0.04912 5 2PZ -0.01512 -0.02678 -0.11078 -0.04975 6 3S -0.34531 1.01608 3.28330 5.19209 7 3PX 0.09549 -0.41257 0.36043 0.33788 8 3PY 0.12763 0.07952 1.05943 1.23578 9 3PZ -0.04673 -0.34425 0.93882 1.67730 10 4XX -0.07594 -0.72275 -0.85740 -0.48358 11 4YY -0.01763 -0.85047 -0.97516 -0.67532 12 4ZZ -0.02183 -0.68671 -0.83968 -0.56735 13 4XY -0.01691 0.02066 -0.00859 -0.00885 14 4XZ 0.01701 -0.07020 0.00944 0.01515 15 4YZ 0.00894 0.04283 0.04804 0.04246 16 2 O 1S 0.02247 0.02131 0.07046 0.15858 17 2S 0.01409 -0.04382 0.12989 0.41043 18 2PX 0.00745 -0.03175 -0.02759 -0.06404 19 2PY 0.01810 0.02827 0.03199 0.06994 20 2PZ 0.01785 -0.00969 -0.01485 -0.00946 21 3S -0.30175 -0.07638 -1.41390 -3.01496 22 3PX -0.05702 -0.15152 0.21137 0.68386 23 3PY -0.08097 0.00407 -0.18133 -0.45750 24 3PZ -0.09225 -0.14389 0.03790 0.20503 25 4XX 0.09223 0.15358 0.24683 0.44277 26 4YY 0.09750 0.07909 0.24804 0.51739 27 4ZZ 0.06835 0.10318 0.25742 0.55335 28 4XY 0.02037 -0.06394 -0.02901 0.03263 29 4XZ 0.02576 0.09100 0.09143 -0.00221 30 4YZ 0.01581 -0.05792 -0.02231 -0.00449 31 3 C 1S -0.08866 0.00003 0.00001 -0.00001 32 2S 0.39757 -0.00018 -0.00002 0.00001 33 2PX 0.04051 -0.00001 -0.00001 0.00001 34 2PY -0.00001 -0.01241 -0.02389 -0.07391 35 2PZ -0.00769 0.00000 -0.00001 0.00000 36 3S 0.79401 -0.00030 0.00007 0.00012 37 3PX -0.21554 0.00005 0.00001 -0.00005 38 3PY -0.00003 -0.15142 -0.07404 -0.10264 39 3PZ 0.06605 -0.00004 -0.00002 0.00000 40 4XX -0.33213 0.00013 0.00002 -0.00002 41 4YY -0.33352 0.00013 0.00003 -0.00003 42 4ZZ -0.31773 0.00012 0.00002 -0.00005 43 4XY 0.00000 0.01475 -0.01885 0.00689 44 4XZ 0.00226 0.00001 -0.00001 0.00001 45 4YZ 0.00000 -0.00054 -0.02228 -0.04361 46 4 C 1S 0.00638 0.17840 0.24159 0.21141 47 2S 0.16502 -0.98181 -0.91668 -0.15206 48 2PX -0.00811 0.01936 -0.00520 -0.08698 49 2PY 0.00336 -0.09664 -0.10305 -0.04917 50 2PZ -0.01510 0.02680 0.11073 0.04976 51 3S -0.34604 -1.01645 -3.28307 -5.19252 52 3PX 0.09588 0.41257 -0.36037 -0.33781 53 3PY -0.12752 0.07951 1.05951 1.23619 54 3PZ -0.04656 0.34419 -0.93843 -1.67723 55 4XX -0.07551 0.72318 0.85726 0.48368 56 4YY -0.01712 0.85080 0.97504 0.67542 57 4ZZ -0.02142 0.68713 0.83956 0.56750 58 4XY 0.01693 0.02066 -0.00859 -0.00884 59 4XZ 0.01707 0.07022 -0.00944 -0.01513 60 4YZ -0.00892 0.04288 0.04808 0.04247 61 5 H 1S -0.02611 0.00001 -0.00001 -0.00001 62 2S -0.23888 0.00009 -0.00002 -0.00005 63 6 H 1S 0.02022 0.00000 -0.00001 0.00000 64 2S -0.02663 0.00003 -0.00001 0.00001 65 7 O 1S 0.02249 -0.02135 -0.07043 -0.15857 66 2S 0.01417 0.04377 -0.12982 -0.41045 67 2PX 0.00745 0.03177 0.02758 0.06403 68 2PY -0.01810 0.02829 0.03197 0.06995 69 2PZ 0.01785 0.00969 0.01486 0.00949 70 3S -0.30210 0.07701 1.41338 3.01498 71 3PX -0.05687 0.15150 -0.21133 -0.68387 72 3PY 0.08105 0.00396 -0.18121 -0.45753 73 3PZ -0.09210 0.14397 -0.03798 -0.20517 74 4XX 0.09223 -0.15376 -0.24670 -0.44275 75 4YY 0.09756 -0.07923 -0.24794 -0.51733 76 4ZZ 0.06840 -0.10337 -0.25730 -0.55335 77 4XY -0.02042 -0.06393 -0.02899 0.03263 78 4XZ 0.02567 -0.09107 -0.09142 0.00222 79 4YZ -0.01585 -0.05792 -0.02230 -0.00449 80 8 H 1S 0.03107 0.03381 -0.07910 0.01535 81 2S 0.07592 0.31713 -0.14413 -0.19381 82 9 H 1S 0.03105 -0.03385 0.07913 -0.01538 83 2S 0.07574 -0.31709 0.14418 0.19382 84 10 C 1S 0.04291 0.24212 0.03739 -0.11025 85 2S -0.21275 -1.19000 -0.30005 0.33663 86 2PX 0.09760 0.08941 0.01816 -0.05853 87 2PY -0.08015 0.11209 0.02022 0.02657 88 2PZ 0.08308 0.06551 0.01300 -0.07668 89 3S -0.59625 -2.23729 -0.13892 3.99626 90 3PX -0.15499 -0.42203 0.08787 1.25071 91 3PY 0.05335 -0.47935 0.09221 0.81449 92 3PZ -0.11886 -0.33623 0.07147 1.24695 93 4XX 0.21948 0.88210 0.17580 -0.40031 94 4YY 0.18411 1.09631 0.25495 -0.47322 95 4ZZ 0.22504 0.90343 0.16790 -0.40663 96 4XY -0.10515 -0.05591 -0.05225 0.12982 97 4XZ 0.07638 0.02437 0.04120 -0.07578 98 4YZ -0.07637 -0.05260 0.00127 0.11043 99 11 C 1S 0.04269 -0.24219 -0.03737 0.11021 100 2S -0.21161 1.19031 0.30001 -0.33649 101 2PX 0.09755 -0.08946 -0.01816 0.05851 102 2PY 0.08024 0.11207 0.02021 0.02656 103 2PZ 0.08307 -0.06555 -0.01301 0.07665 104 3S -0.59462 2.23781 0.13889 -3.99622 105 3PX -0.15479 0.42209 -0.08788 -1.25051 106 3PY -0.05369 -0.47947 0.09228 0.81478 107 3PZ -0.11873 0.33629 -0.07152 -1.24673 108 4XX 0.21871 -0.88240 -0.17577 0.40021 109 4YY 0.18305 -1.09654 -0.25490 0.47302 110 4ZZ 0.22426 -0.90373 -0.16788 0.40653 111 4XY 0.10508 -0.05601 -0.05227 0.12983 112 4XZ 0.07640 -0.02443 -0.04123 0.07582 113 4YZ 0.07632 -0.05266 0.00125 0.11044 114 12 C 1S -0.31021 0.01777 0.06333 -0.39729 115 2S 1.68115 -0.20939 -0.63561 0.86927 116 2PX 0.01695 -0.06182 -0.02303 -0.03924 117 2PY 0.09742 -0.04329 -0.02359 0.23822 118 2PZ 0.00164 -0.06096 -0.02872 0.00259 119 3S 2.08473 -0.18194 -0.58318 5.57606 120 3PX 0.10561 0.23124 0.07556 0.02212 121 3PY -0.20669 0.16632 0.01745 -2.17160 122 3PZ 0.09642 0.15236 -0.18172 0.16651 123 4XX -1.20504 0.20787 0.35238 -1.24837 124 4YY -1.18913 0.11263 0.29740 -1.23878 125 4ZZ -1.30360 0.06129 0.44337 -1.26342 126 4XY -0.03522 0.04980 -0.04074 -0.05449 127 4XZ -0.10803 0.04980 0.03871 -0.08153 128 4YZ 0.01147 0.09008 -0.02059 -0.02979 129 13 C 1S 0.16802 0.21047 -0.29789 0.02103 130 2S -0.86774 -1.00738 1.24069 -0.07127 131 2PX -0.01012 -0.02444 -0.02140 -0.03681 132 2PY 0.02351 -0.03248 0.02922 0.01343 133 2PZ -0.07698 -0.03355 0.10518 0.09486 134 3S -1.27610 -1.69211 2.92584 -2.19377 135 3PX 0.00801 0.11101 0.25115 0.69988 136 3PY -0.12527 0.16539 -0.45993 0.12980 137 3PZ 0.23333 0.09175 -0.38997 0.65236 138 4XX 0.64217 0.75597 -1.00218 0.04238 139 4YY 0.57665 0.86651 -1.18723 0.08413 140 4ZZ 0.75199 0.74087 -1.07427 0.10625 141 4XY -0.02899 -0.02892 0.00100 -0.03452 142 4XZ 0.05155 -0.00090 -0.01518 0.05016 143 4YZ -0.09803 -0.01048 0.07549 -0.09364 144 14 C 1S 0.16796 -0.21062 0.29790 -0.02102 145 2S -0.86743 1.00812 -1.24071 0.07124 146 2PX -0.01012 0.02443 0.02139 0.03682 147 2PY -0.02349 -0.03248 0.02925 0.01345 148 2PZ -0.07698 0.03359 -0.10518 -0.09488 149 3S -1.27546 1.69323 -2.92598 2.19365 150 3PX 0.00798 -0.11092 -0.25117 -0.70018 151 3PY 0.12519 0.16529 -0.46004 0.12995 152 3PZ 0.23329 -0.09189 0.39000 -0.65218 153 4XX 0.64196 -0.75655 1.00222 -0.04235 154 4YY 0.57633 -0.86702 1.18726 -0.08406 155 4ZZ 0.75176 -0.74151 1.07434 -0.10622 156 4XY 0.02899 -0.02894 0.00100 -0.03455 157 4XZ 0.05160 0.00087 0.01519 -0.05014 158 4YZ 0.09797 -0.01056 0.07548 -0.09365 159 15 C 1S -0.31016 -0.01761 -0.06328 0.39729 160 2S 1.68113 0.20848 0.63533 -0.86942 161 2PX 0.01700 0.06180 0.02305 0.03931 162 2PY -0.09744 -0.04325 -0.02358 0.23824 163 2PZ 0.00166 0.06095 0.02870 -0.00256 164 3S 2.08441 0.18071 0.58304 -5.57577 165 3PX 0.10545 -0.23122 -0.07556 -0.02244 166 3PY 0.20670 0.16623 0.01751 -2.17167 167 3PZ 0.09640 -0.15249 0.18175 -0.16700 168 4XX -1.20500 -0.20718 -0.35218 1.24847 169 4YY -1.18903 -0.11206 -0.29716 1.23880 170 4ZZ -1.30349 -0.06054 -0.44316 1.26343 171 4XY 0.03526 0.04980 -0.04074 -0.05453 172 4XZ -0.10811 -0.04970 -0.03874 0.08149 173 4YZ -0.01137 0.09008 -0.02054 -0.02982 174 16 H 1S 0.00534 -0.07285 -0.00564 0.04273 175 2S 0.02413 0.06610 0.11383 0.30480 176 17 H 1S 0.00540 0.07287 0.00563 -0.04269 177 2S 0.02402 -0.06613 -0.11386 -0.30476 178 18 H 1S 0.05466 -0.03351 -0.00483 0.08319 179 2S -0.29992 -0.04589 0.07291 0.13426 180 19 H 1S -0.01869 -0.00392 -0.06363 0.04792 181 2S 0.21776 0.17492 -0.41157 -0.18187 182 20 H 1S -0.01871 0.00393 0.06364 -0.04796 183 2S 0.21772 -0.17522 0.41167 0.18205 184 21 H 1S 0.05468 0.03348 0.00481 -0.08322 185 2S -0.29985 0.04604 -0.07281 -0.13434 186 22 H 1S -0.01390 0.00438 0.00311 0.14581 187 2S 0.13799 0.27340 -0.14866 0.16919 188 23 H 1S -0.01389 -0.00434 -0.00314 -0.14580 189 2S 0.13785 -0.27349 0.14861 -0.16925 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 0.04016 0.43069 5 2PZ 0.01511 -0.02721 -0.02221 0.02891 0.37882 6 3S -0.17203 0.27247 -0.09834 -0.01737 -0.02415 7 3PX 0.01878 -0.03666 0.16687 0.03759 -0.08371 8 3PY -0.00736 0.00397 0.05104 0.12294 -0.01636 9 3PZ 0.00255 -0.01649 -0.08141 -0.01244 0.16318 10 4XX -0.01177 -0.01308 0.01164 -0.00701 0.01131 11 4YY -0.01725 -0.00102 -0.00623 0.01259 -0.00557 12 4ZZ -0.01571 -0.00410 -0.00185 -0.01309 -0.00482 13 4XY -0.00020 0.00034 -0.00113 0.00496 -0.01134 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 O 1S 0.00537 -0.00687 -0.02953 0.00841 -0.02341 17 2S -0.00988 0.01073 0.06594 -0.03095 0.05396 18 2PX 0.05683 -0.12361 -0.16693 0.10827 -0.18560 19 2PY -0.02548 0.05165 0.09863 -0.03173 0.06630 20 2PZ 0.03477 -0.06519 -0.17835 0.07011 -0.08071 21 3S 0.01404 -0.02641 0.06860 0.04043 0.04689 22 3PX 0.02658 -0.06226 -0.10154 0.05729 -0.09088 23 3PY -0.01946 0.03878 0.07145 -0.02507 0.04914 24 3PZ 0.01512 -0.02655 -0.08265 0.04075 -0.05658 25 4XX -0.00369 0.00605 -0.00641 -0.00823 0.00739 26 4YY -0.00126 0.00120 0.00465 -0.00050 0.00290 27 4ZZ -0.00089 0.00060 0.00146 -0.00487 -0.00969 28 4XY 0.00464 -0.00907 -0.00889 -0.00340 -0.01056 29 4XZ -0.00489 0.00780 0.00431 -0.00310 -0.00128 30 4YZ 0.00277 -0.00504 -0.01130 -0.00410 -0.00184 31 3 C 1S -0.00316 0.00630 0.00913 0.01013 0.00381 32 2S 0.00672 -0.01756 -0.02191 -0.03218 -0.01022 33 2PX -0.01114 0.02806 0.02079 0.01614 0.02271 34 2PY -0.00217 0.00474 0.03532 -0.02090 0.03814 35 2PZ -0.00867 0.02121 0.03432 0.02129 0.00271 36 3S 0.00988 -0.01226 -0.04432 -0.05396 -0.00800 37 3PX -0.00779 0.01317 0.01209 0.01700 0.01129 38 3PY -0.00139 0.00393 0.03155 -0.00044 0.03294 39 3PZ -0.00626 0.01180 0.03283 0.02178 -0.00870 40 4XX -0.00162 0.00400 0.00735 -0.00167 0.00611 41 4YY 0.00217 -0.00464 -0.00888 0.00517 -0.00718 42 4ZZ -0.00094 0.00176 0.00479 -0.00206 0.00340 43 4XY -0.00103 0.00239 0.00015 0.00067 0.00422 44 4XZ -0.00005 0.00046 0.00444 0.00026 0.00260 45 4YZ 0.00000 -0.00012 0.00418 0.00250 -0.00145 46 4 C 1S 0.01947 -0.04084 0.01341 -0.08014 -0.01091 47 2S -0.04084 0.07592 -0.02567 0.16580 0.01983 48 2PX 0.01341 -0.02567 0.16094 0.01946 -0.09938 49 2PY 0.08014 -0.16581 -0.01944 -0.32465 0.03382 50 2PZ -0.01089 0.01979 -0.09938 -0.03391 0.11879 51 3S 0.00180 0.02807 -0.06626 0.12944 0.07407 52 3PX 0.00344 -0.00368 0.09438 0.01941 -0.05076 53 3PY 0.00105 -0.01886 -0.02432 -0.10079 0.02186 54 3PZ -0.00661 0.01818 -0.06395 -0.03852 0.08164 55 4XX 0.00325 -0.00759 -0.00048 -0.01313 -0.00040 56 4YY -0.00653 0.01193 0.00092 0.00799 0.00075 57 4ZZ 0.00346 -0.00793 0.00233 -0.01007 -0.00380 58 4XY -0.00007 0.00037 -0.01259 -0.00563 0.00419 59 4XZ 0.00133 -0.00307 0.00017 -0.00448 -0.00034 60 4YZ -0.00081 0.00171 0.00512 -0.00037 -0.01435 61 5 H 1S -0.00289 0.00540 0.00914 -0.00538 0.00811 62 2S -0.00328 0.00505 -0.00170 -0.00261 0.02479 63 6 H 1S -0.00481 0.01265 0.02127 -0.00579 0.01276 64 2S -0.00437 0.01311 0.04174 0.00554 0.00479 65 7 O 1S -0.00177 0.00495 0.00446 0.00162 0.00858 66 2S 0.00716 -0.01548 -0.01396 -0.01727 -0.01590 67 2PX -0.01256 0.02727 -0.07077 0.03230 0.04712 68 2PY -0.02271 0.05458 0.02755 0.05833 0.01347 69 2PZ 0.00199 -0.00189 0.04870 0.05124 -0.05767 70 3S -0.00338 -0.00398 -0.01642 0.03057 -0.06696 71 3PX -0.00941 0.02046 -0.05944 0.01727 0.04763 72 3PY -0.01410 0.03728 0.01911 0.03996 0.01437 73 3PZ 0.00235 -0.00387 0.04773 0.04116 -0.05145 74 4XX 0.00027 0.00014 -0.00368 -0.00416 0.00503 75 4YY 0.00139 -0.00234 -0.00091 -0.00258 0.00125 76 4ZZ 0.00102 -0.00120 0.00256 -0.00250 -0.00056 77 4XY -0.00070 0.00154 0.00302 0.00608 -0.00086 78 4XZ -0.00006 0.00020 0.00117 0.00136 0.00027 79 4YZ -0.00092 0.00213 0.00170 0.00473 0.00040 80 8 H 1S 0.01654 -0.03648 0.00832 -0.04030 0.00080 81 2S 0.02040 -0.04063 0.02370 -0.06419 0.00812 82 9 H 1S -0.06820 0.13566 -0.06571 -0.16920 -0.19078 83 2S -0.02048 0.04651 -0.03958 -0.13844 -0.15451 84 10 C 1S -0.00178 0.00265 -0.00503 -0.00170 0.00224 85 2S 0.00269 -0.00452 0.01912 0.00504 -0.00609 86 2PX 0.00919 -0.02100 0.03137 0.01827 -0.00582 87 2PY 0.00007 0.00007 0.00231 0.00155 -0.00213 88 2PZ -0.00379 0.01060 -0.00562 -0.01159 -0.00874 89 3S 0.00660 -0.01526 -0.01134 0.00914 -0.00463 90 3PX 0.00950 -0.02240 0.02165 0.01859 -0.01002 91 3PY -0.00149 0.00030 -0.01372 -0.00229 0.00721 92 3PZ -0.00354 0.00661 -0.02091 -0.01558 0.00057 93 4XX -0.00071 0.00088 -0.00527 -0.00107 0.00439 94 4YY 0.00004 -0.00016 0.00263 0.00085 -0.00130 95 4ZZ -0.00029 0.00024 0.00290 0.00015 -0.00243 96 4XY 0.00017 -0.00053 0.00297 0.00044 -0.00268 97 4XZ 0.00039 -0.00088 0.00048 0.00018 0.00039 98 4YZ -0.00066 0.00094 -0.00435 -0.00114 0.00363 99 11 C 1S -0.00069 0.00058 -0.00297 0.00009 0.00128 100 2S 0.00137 -0.00173 0.00820 0.00136 -0.00391 101 2PX 0.01089 -0.02273 0.07781 0.01163 -0.05907 102 2PY -0.00262 0.00401 -0.01577 -0.00430 0.01022 103 2PZ -0.00738 0.01701 -0.05630 -0.01177 0.04329 104 3S 0.00207 0.00404 0.03492 0.00094 -0.02184 105 3PX 0.00807 -0.01433 0.07600 0.01106 -0.05769 106 3PY -0.00240 0.00315 -0.02115 0.00159 0.01045 107 3PZ -0.00513 0.01321 -0.03845 -0.01329 0.03310 108 4XX -0.00017 0.00011 -0.00104 -0.00105 0.00011 109 4YY -0.00007 0.00011 0.00086 0.00089 -0.00024 110 4ZZ -0.00009 0.00012 0.00078 0.00044 -0.00055 111 4XY -0.00015 0.00040 -0.00032 -0.00083 -0.00062 112 4XZ 0.00014 -0.00022 0.00094 -0.00027 -0.00048 113 4YZ 0.00012 -0.00031 0.00042 0.00109 0.00030 114 12 C 1S -0.00096 0.00309 -0.00602 0.00166 0.00543 115 2S 0.00324 -0.00397 0.01970 -0.00257 -0.01608 116 2PX 0.00345 -0.00801 0.00550 -0.02186 -0.01141 117 2PY -0.00441 0.00651 -0.00668 0.01611 0.00646 118 2PZ -0.00066 0.00422 -0.00167 0.01217 0.00573 119 3S -0.00040 -0.00631 -0.01557 -0.00887 0.00404 120 3PX 0.00317 -0.00581 0.01646 -0.01834 -0.02242 121 3PY 0.00096 0.00158 0.02125 0.00077 -0.01484 122 3PZ -0.00133 0.00434 -0.00020 0.01981 -0.00081 123 4XX -0.00050 0.00121 -0.00642 -0.00219 0.00551 124 4YY -0.00011 0.00040 0.00097 0.00126 -0.00060 125 4ZZ 0.00057 -0.00090 0.00319 0.00002 -0.00255 126 4XY 0.00027 -0.00041 0.00142 -0.00056 -0.00099 127 4XZ 0.00026 -0.00034 0.00302 0.00109 -0.00228 128 4YZ -0.00015 0.00011 -0.00055 0.00046 0.00052 129 13 C 1S -0.00135 0.00251 -0.00749 -0.00026 0.00676 130 2S 0.00331 -0.00446 0.01643 0.00226 -0.01383 131 2PX 0.00010 -0.00034 -0.00554 -0.00294 0.00340 132 2PY -0.00131 0.00181 -0.00835 -0.00295 0.00670 133 2PZ -0.00447 0.00621 -0.02317 0.00041 0.01780 134 3S 0.00485 -0.00904 0.04193 -0.00884 -0.03614 135 3PX -0.00199 0.00102 -0.01623 -0.00246 0.00601 136 3PY 0.00085 -0.00100 -0.00750 -0.00146 0.01048 137 3PZ -0.00127 0.00195 -0.01814 0.00012 0.01476 138 4XX -0.00017 0.00043 -0.00142 0.00011 0.00137 139 4YY 0.00005 -0.00014 0.00112 0.00098 -0.00090 140 4ZZ 0.00010 -0.00004 -0.00045 -0.00111 0.00048 141 4XY 0.00010 0.00004 -0.00026 -0.00047 0.00017 142 4XZ 0.00018 -0.00024 0.00165 0.00062 -0.00135 143 4YZ -0.00019 -0.00007 -0.00050 -0.00021 0.00023 144 14 C 1S -0.00160 0.00232 -0.00601 -0.00138 0.00522 145 2S 0.00237 -0.00724 0.01600 0.00411 -0.01807 146 2PX 0.00275 -0.00839 0.01449 0.00285 -0.01389 147 2PY 0.00037 0.00112 0.00147 0.00184 0.00169 148 2PZ -0.00219 0.01167 -0.01969 -0.00129 0.01864 149 3S 0.00255 -0.00748 0.01136 -0.00172 -0.00087 150 3PX 0.00447 -0.00430 0.01167 0.00523 0.00415 151 3PY 0.00152 0.00070 -0.00823 0.00236 0.00977 152 3PZ -0.00311 0.00600 -0.00175 0.00096 0.00680 153 4XX -0.00041 0.00046 0.00106 -0.00006 -0.00135 154 4YY 0.00002 -0.00044 0.00241 0.00090 -0.00246 155 4ZZ -0.00071 0.00039 -0.00460 -0.00118 0.00367 156 4XY -0.00011 0.00043 -0.00026 0.00006 0.00017 157 4XZ 0.00080 -0.00161 0.00571 0.00109 -0.00603 158 4YZ 0.00005 -0.00026 0.00064 0.00024 -0.00063 159 15 C 1S -0.00195 0.00085 0.00438 -0.00057 -0.00771 160 2S 0.00260 -0.01172 -0.00253 0.00518 0.01090 161 2PX -0.00843 0.01025 -0.10006 -0.02520 0.08812 162 2PY -0.00428 0.00287 -0.03473 -0.01766 0.02311 163 2PZ 0.00244 -0.00673 0.05650 0.00963 -0.05946 164 3S 0.00479 0.00189 -0.00879 -0.00297 0.03432 165 3PX 0.00166 -0.00231 -0.06593 -0.01542 0.06243 166 3PY -0.00191 0.00685 -0.01520 -0.00272 0.01958 167 3PZ 0.00396 -0.00721 0.05403 0.01961 -0.05024 168 4XX -0.00149 0.00264 -0.00496 -0.00346 0.00291 169 4YY 0.00012 -0.00134 0.00229 0.00230 -0.00079 170 4ZZ -0.00031 -0.00051 0.00005 -0.00012 -0.00138 171 4XY -0.00016 0.00064 -0.00256 0.00041 0.00185 172 4XZ 0.00082 -0.00233 0.00541 0.00262 -0.00200 173 4YZ 0.00007 -0.00042 0.00117 -0.00042 -0.00099 174 16 H 1S -0.00015 -0.00040 -0.00505 -0.00069 0.00682 175 2S -0.00151 0.00010 -0.01516 -0.00607 0.00957 176 17 H 1S -0.00005 -0.00019 0.00044 -0.00075 -0.00028 177 2S 0.00058 -0.00103 0.00607 -0.00444 -0.00384 178 18 H 1S -0.00154 0.00206 0.00479 0.00970 -0.00401 179 2S -0.00261 0.00376 -0.00464 0.01643 0.00638 180 19 H 1S 0.00009 0.00017 -0.00264 -0.00031 0.00231 181 2S -0.00157 0.00337 0.00526 0.00814 -0.00187 182 20 H 1S 0.00211 -0.00548 0.01758 0.00282 -0.01903 183 2S 0.00287 -0.00627 0.01630 0.00555 -0.03807 184 21 H 1S 0.00408 -0.00633 0.01726 0.01446 -0.00486 185 2S 0.00291 -0.00296 0.02258 0.01731 -0.01181 186 22 H 1S -0.00124 0.00104 -0.00605 -0.00206 0.00384 187 2S -0.00321 0.00341 -0.02198 -0.00740 0.01342 188 23 H 1S -0.00263 0.00805 -0.02530 -0.00457 0.02413 189 2S -0.00281 0.01140 -0.05155 -0.00982 0.05074 6 7 8 9 10 6 3S 0.30238 7 3PX -0.06511 0.10752 8 3PY 0.00109 0.03278 0.05313 9 3PZ 0.01250 -0.06593 -0.02382 0.09326 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 O 1S 0.03365 0.00189 0.00926 0.00881 -0.00408 17 2S -0.08565 -0.00925 -0.02010 -0.02161 0.01019 18 2PX -0.03605 -0.02843 0.01432 -0.03341 0.00967 19 2PY 0.06384 -0.00553 0.04340 0.00081 0.01247 20 2PZ -0.07377 -0.06529 0.02437 -0.03147 -0.02966 21 3S -0.14501 -0.00221 -0.00576 -0.03622 0.00915 22 3PX -0.00386 -0.02098 0.00217 -0.00671 0.00838 23 3PY 0.04535 -0.00213 0.02759 0.00144 0.00827 24 3PZ -0.04401 -0.02602 0.01818 -0.02935 -0.02041 25 4XX 0.00707 -0.00484 -0.00343 0.00474 -0.00053 26 4YY 0.00255 0.00001 0.00238 0.00049 0.00073 27 4ZZ 0.00268 0.00309 -0.00096 -0.00347 -0.00006 28 4XY -0.00459 -0.00132 -0.00224 -0.00177 0.00044 29 4XZ 0.00512 0.00089 -0.00065 -0.00175 0.00015 30 4YZ -0.00392 -0.00492 -0.00177 0.00035 -0.00104 31 3 C 1S 0.00669 0.00601 0.00710 0.00104 -0.00035 32 2S -0.01117 -0.01084 -0.01566 0.00196 0.00108 33 2PX 0.04028 0.01474 0.00224 0.01112 -0.00362 34 2PY -0.01438 0.02862 -0.02780 0.02414 0.00023 35 2PZ 0.03383 0.02619 0.00358 -0.00501 -0.00250 36 3S 0.00698 -0.01789 -0.02482 0.01202 -0.00051 37 3PX 0.01714 0.00544 0.00311 0.00396 0.00005 38 3PY -0.00616 0.00958 -0.00234 0.00880 0.00246 39 3PZ 0.00195 0.02106 0.01080 -0.01370 -0.00320 40 4XX 0.00033 0.00299 0.00046 0.00146 -0.00073 41 4YY -0.00421 -0.00355 0.00211 -0.00332 -0.00023 42 4ZZ 0.00360 0.00141 -0.00190 0.00199 0.00112 43 4XY 0.00110 -0.00345 0.00190 -0.00079 -0.00018 44 4XZ -0.00244 0.00084 0.00049 0.00027 0.00044 45 4YZ 0.00005 0.00060 0.00299 -0.00241 0.00103 46 4 C 1S 0.00180 0.00344 -0.00105 -0.00661 0.00325 47 2S 0.02807 -0.00368 0.01885 0.01819 -0.00759 48 2PX -0.06625 0.09438 0.02433 -0.06394 -0.00048 49 2PY -0.12946 -0.01940 -0.10079 0.03849 0.01313 50 2PZ 0.07403 -0.05076 -0.02189 0.08165 -0.00040 51 3S -0.02100 -0.03377 -0.01285 0.04416 -0.00418 52 3PX -0.03376 0.04460 0.01943 -0.04240 -0.00003 53 3PY 0.01283 -0.01943 -0.02619 0.02097 0.00387 54 3PZ 0.04415 -0.04241 -0.02099 0.04847 0.00090 55 4XX -0.00418 -0.00003 -0.00386 0.00090 0.00057 56 4YY 0.01064 -0.00134 0.00339 -0.00132 -0.00034 57 4ZZ -0.00858 0.00231 -0.00223 -0.00162 0.00024 58 4XY 0.00612 -0.00720 -0.00241 0.00480 -0.00016 59 4XZ -0.00377 0.00085 -0.00203 0.00145 0.00000 60 4YZ 0.00373 0.00559 0.00309 -0.00723 -0.00047 61 5 H 1S 0.02075 0.00567 -0.00940 0.00564 0.00242 62 2S 0.03060 -0.00489 -0.01304 0.01770 0.00650 63 6 H 1S 0.00897 0.01226 -0.00076 0.00418 -0.00346 64 2S -0.00498 0.02404 0.00972 -0.00721 -0.00561 65 7 O 1S -0.01912 -0.00040 -0.00866 0.00034 0.00017 66 2S 0.03953 -0.00018 0.01381 0.00415 -0.00013 67 2PX 0.05189 -0.06279 -0.00293 0.01592 0.00181 68 2PY 0.11866 -0.01224 0.07006 -0.02565 0.00128 69 2PZ -0.02256 0.04580 0.04206 -0.04494 -0.00149 70 3S 0.06991 0.00818 0.04760 -0.02588 -0.00333 71 3PX 0.04012 -0.05124 -0.00649 0.02008 0.00099 72 3PY 0.07833 -0.00944 0.04593 -0.01463 0.00137 73 3PZ -0.02361 0.03962 0.03261 -0.03820 -0.00131 74 4XX 0.00129 -0.00203 -0.00205 0.00335 -0.00005 75 4YY -0.00668 -0.00009 -0.00370 0.00190 0.00012 76 4ZZ -0.00190 0.00056 -0.00107 -0.00081 0.00028 77 4XY -0.00119 0.00307 0.00152 -0.00019 -0.00034 78 4XZ -0.00024 0.00084 -0.00009 0.00043 -0.00007 79 4YZ 0.00089 0.00049 0.00056 0.00013 -0.00012 80 8 H 1S -0.06701 -0.00166 -0.02501 0.00188 0.00286 81 2S -0.06603 0.00133 -0.02217 -0.00048 0.00382 82 9 H 1S 0.13823 -0.01463 -0.04023 -0.06420 -0.01030 83 2S 0.05310 0.00285 -0.02942 -0.05323 -0.00710 84 10 C 1S 0.00362 -0.00660 -0.00256 0.00154 -0.00079 85 2S -0.01131 0.01009 0.00680 -0.01149 0.00083 86 2PX -0.05395 0.00585 0.01974 -0.02471 0.00598 87 2PY 0.00009 0.00333 -0.00114 -0.00222 0.00039 88 2PZ 0.02764 0.00107 -0.01112 -0.00967 -0.00412 89 3S -0.00266 -0.00190 0.00725 0.00412 -0.00147 90 3PX -0.04284 0.00789 0.01495 -0.01272 0.00315 91 3PY 0.01054 -0.00921 -0.00064 0.00996 0.00123 92 3PZ 0.02490 -0.00564 -0.01187 0.00643 -0.00385 93 4XX 0.00169 -0.00394 -0.00085 0.00308 0.00026 94 4YY -0.00170 0.00184 -0.00011 -0.00116 -0.00010 95 4ZZ 0.00040 0.00224 0.00089 -0.00129 -0.00022 96 4XY -0.00083 0.00266 0.00134 -0.00150 -0.00008 97 4XZ -0.00036 0.00043 0.00057 0.00028 0.00007 98 4YZ 0.00243 -0.00313 -0.00123 0.00358 0.00014 99 11 C 1S 0.00390 -0.00129 0.00151 0.00188 -0.00022 100 2S -0.00677 0.00638 -0.00182 -0.00093 0.00029 101 2PX -0.05255 0.05986 0.02888 -0.04678 0.00077 102 2PY 0.01290 -0.01205 -0.00199 0.01428 -0.00019 103 2PZ 0.03693 -0.04005 -0.02421 0.04464 0.00000 104 3S -0.01673 0.01874 -0.00029 -0.02371 -0.00099 105 3PX -0.04058 0.05288 0.02556 -0.04985 -0.00035 106 3PY 0.01633 -0.01493 0.00054 0.01447 0.00038 107 3PZ 0.02603 -0.03147 -0.01795 0.02776 0.00045 108 4XX 0.00024 0.00003 -0.00019 -0.00002 -0.00005 109 4YY 0.00068 0.00029 0.00078 -0.00031 0.00003 110 4ZZ -0.00088 0.00002 -0.00009 -0.00039 -0.00002 111 4XY 0.00199 0.00069 -0.00034 0.00057 -0.00023 112 4XZ -0.00100 0.00051 -0.00015 -0.00056 0.00002 113 4YZ -0.00082 -0.00006 0.00064 0.00063 0.00018 114 12 C 1S -0.00390 -0.00525 -0.00344 0.00095 -0.00015 115 2S -0.01547 0.01582 0.00096 -0.01385 0.00009 116 2PX -0.01235 0.01447 -0.00298 -0.02188 -0.00100 117 2PY 0.04107 -0.00809 0.01500 0.00945 -0.00029 118 2PZ -0.01991 -0.01702 -0.01066 -0.00461 0.00082 119 3S -0.00131 -0.00105 -0.00791 0.00824 0.00048 120 3PX -0.00672 0.01960 0.00146 -0.02260 -0.00095 121 3PY 0.00009 0.01035 0.00611 -0.01130 -0.00073 122 3PZ -0.00727 -0.00998 0.00096 -0.00260 0.00042 123 4XX 0.00314 -0.00457 -0.00247 0.00448 0.00002 124 4YY 0.00159 0.00070 0.00134 -0.00045 -0.00003 125 4ZZ -0.00306 0.00203 0.00063 -0.00256 -0.00003 126 4XY -0.00029 0.00087 0.00000 -0.00032 0.00001 127 4XZ -0.00172 0.00155 0.00055 -0.00176 -0.00002 128 4YZ 0.00055 -0.00013 0.00041 0.00045 0.00004 129 13 C 1S 0.00525 -0.00501 -0.00098 0.00473 0.00003 130 2S -0.02179 0.00780 -0.00160 -0.01516 0.00002 131 2PX -0.00053 -0.01195 -0.00919 0.00205 -0.00010 132 2PY 0.00379 -0.01242 -0.00419 0.00047 0.00020 133 2PZ 0.04389 -0.01016 0.00923 0.02307 -0.00037 134 3S -0.04201 0.02840 -0.00534 -0.03139 -0.00109 135 3PX 0.00318 -0.01262 -0.00702 0.00618 -0.00048 136 3PY 0.00213 -0.00969 -0.00077 0.00395 0.00025 137 3PZ 0.02033 -0.00942 0.00151 0.01531 -0.00021 138 4XX 0.00139 -0.00147 -0.00037 0.00129 0.00000 139 4YY 0.00026 0.00079 0.00090 -0.00035 0.00006 140 4ZZ -0.00033 0.00014 -0.00036 -0.00008 0.00003 141 4XY -0.00040 -0.00082 -0.00055 -0.00005 -0.00005 142 4XZ -0.00187 0.00007 -0.00044 -0.00093 0.00004 143 4YZ 0.00164 0.00037 0.00061 0.00080 0.00002 144 14 C 1S 0.00606 -0.00470 -0.00098 0.00664 -0.00063 145 2S -0.00124 0.01726 0.01048 -0.00698 0.00056 146 2PX -0.00166 0.02393 0.00749 -0.00779 0.00092 147 2PY -0.00812 0.00042 -0.00131 -0.00013 0.00003 148 2PZ -0.01872 -0.03174 -0.02065 0.00119 -0.00036 149 3S 0.00822 0.00614 0.01295 0.00620 0.00265 150 3PX -0.00074 0.01151 0.00524 -0.00038 0.00163 151 3PY -0.00021 -0.00630 -0.00020 0.00482 -0.00103 152 3PZ -0.00599 -0.01038 -0.00827 -0.00124 0.00221 153 4XX 0.00009 0.00075 -0.00012 -0.00115 -0.00015 154 4YY -0.00193 0.00187 0.00015 -0.00175 -0.00006 155 4ZZ 0.00176 -0.00344 -0.00076 0.00268 0.00024 156 4XY 0.00003 -0.00086 -0.00052 0.00002 -0.00009 157 4XZ -0.00100 0.00534 0.00189 -0.00366 -0.00014 158 4YZ 0.00124 0.00131 0.00081 0.00021 -0.00006 159 15 C 1S 0.01939 -0.00116 0.00042 0.00289 -0.00166 160 2S -0.00897 0.00241 0.00593 0.00279 0.00291 161 2PX 0.03370 -0.06898 -0.01876 0.07191 0.00639 162 2PY 0.03755 -0.02648 0.00966 0.01844 0.00236 163 2PZ 0.01772 0.05827 0.01998 -0.02544 -0.00506 164 3S 0.00633 -0.01131 -0.00142 0.01276 0.00712 165 3PX 0.00810 -0.04891 -0.01364 0.04703 0.00462 166 3PY 0.01662 -0.01405 -0.00006 0.01040 0.00312 167 3PZ -0.00658 0.04816 0.01789 -0.03220 -0.00457 168 4XX 0.00472 -0.00307 -0.00193 0.00247 -0.00044 169 4YY -0.00364 0.00184 -0.00001 -0.00113 0.00003 170 4ZZ -0.00023 -0.00015 0.00089 -0.00026 0.00011 171 4XY 0.00142 -0.00135 0.00003 0.00168 -0.00002 172 4XZ -0.00285 0.00369 0.00203 -0.00204 0.00022 173 4YZ 0.00038 0.00132 0.00012 0.00000 -0.00008 174 16 H 1S 0.00376 -0.00141 0.00192 0.01246 0.00035 175 2S 0.00975 -0.00671 -0.00049 0.01872 0.00029 176 17 H 1S -0.00200 -0.00181 -0.00061 -0.00424 -0.00016 177 2S -0.00662 0.00104 -0.00090 -0.00986 -0.00018 178 18 H 1S 0.02037 0.00386 0.01137 -0.00076 -0.00022 179 2S 0.02623 -0.00368 0.01246 0.00671 0.00028 180 19 H 1S 0.00045 -0.00973 -0.00532 0.00139 0.00007 181 2S 0.00730 -0.00637 0.00234 0.00014 0.00073 182 20 H 1S -0.00477 0.02015 0.00650 -0.01303 -0.00031 183 2S -0.01426 0.02389 0.00533 -0.02558 -0.00458 184 21 H 1S -0.02949 0.01402 -0.00485 -0.00815 0.00033 185 2S -0.02846 0.01788 -0.00477 -0.01338 -0.00067 186 22 H 1S 0.01568 0.00285 0.00665 0.00496 -0.00012 187 2S 0.02780 -0.00369 0.00430 0.01380 0.00000 188 23 H 1S -0.00339 -0.03165 -0.01293 0.01169 0.00042 189 2S 0.00314 -0.05085 -0.02065 0.02778 0.00044 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 O 1S 0.00187 -0.00015 0.00472 -0.00482 0.00418 17 2S -0.00416 0.00085 -0.01094 0.01112 -0.00916 18 2PX 0.00837 -0.01393 0.00471 -0.02047 0.01404 19 2PY -0.01670 0.00483 0.01114 0.01396 0.00988 20 2PZ 0.00734 0.02319 0.01508 -0.00360 -0.00087 21 3S -0.00037 -0.00055 -0.01372 0.00833 -0.01643 22 3PX 0.00484 -0.01120 0.00028 -0.01239 0.00876 23 3PY -0.01109 0.00301 0.00645 0.00952 0.00552 24 3PZ 0.00453 0.01586 0.00910 -0.00057 -0.00239 25 4XX -0.00009 0.00032 -0.00036 0.00026 0.00009 26 4YY -0.00086 0.00021 0.00086 0.00067 0.00082 27 4ZZ 0.00012 -0.00011 0.00000 -0.00029 0.00035 28 4XY 0.00033 -0.00031 0.00003 -0.00095 0.00054 29 4XZ -0.00020 -0.00014 -0.00023 0.00045 0.00007 30 4YZ 0.00016 0.00112 0.00036 -0.00013 0.00011 31 3 C 1S 0.00097 -0.00113 -0.00146 -0.00001 -0.00168 32 2S -0.00241 0.00264 0.00346 0.00075 0.00394 33 2PX 0.00310 -0.00371 -0.00387 -0.00315 -0.00431 34 2PY 0.00266 -0.00409 -0.00847 -0.00029 -0.00716 35 2PZ 0.00292 -0.00353 -0.00433 -0.00327 -0.00376 36 3S -0.00182 0.00211 0.00259 -0.00119 0.00486 37 3PX 0.00128 -0.00287 -0.00192 -0.00119 -0.00177 38 3PY -0.00101 -0.00153 -0.00349 0.00166 -0.00356 39 3PZ 0.00132 0.00096 -0.00042 0.00022 -0.00290 40 4XX -0.00007 0.00058 0.00016 0.00060 -0.00033 41 4YY 0.00019 0.00040 0.00003 -0.00024 -0.00008 42 4ZZ -0.00013 -0.00110 -0.00034 -0.00016 0.00022 43 4XY -0.00054 0.00069 0.00038 0.00063 -0.00005 44 4XZ -0.00030 0.00005 0.00031 0.00052 0.00015 45 4YZ -0.00052 -0.00027 0.00013 0.00022 0.00040 46 4 C 1S -0.00653 0.00346 0.00007 0.00133 0.00081 47 2S 0.01193 -0.00793 -0.00037 -0.00307 -0.00171 48 2PX 0.00092 0.00233 0.01259 0.00017 -0.00512 49 2PY -0.00799 0.01007 -0.00563 0.00447 -0.00038 50 2PZ 0.00075 -0.00379 -0.00419 -0.00034 0.01435 51 3S 0.01065 -0.00858 -0.00612 -0.00378 -0.00372 52 3PX -0.00134 0.00231 0.00720 0.00085 -0.00559 53 3PY -0.00339 0.00223 -0.00241 0.00203 0.00309 54 3PZ -0.00132 -0.00162 -0.00480 0.00145 0.00723 55 4XX -0.00034 0.00024 0.00016 0.00000 0.00047 56 4YY -0.00010 -0.00026 -0.00009 0.00023 -0.00007 57 4ZZ -0.00026 0.00074 -0.00004 0.00019 -0.00022 58 4XY 0.00009 0.00004 0.00000 -0.00036 0.00055 59 4XZ 0.00023 0.00019 0.00036 0.00004 0.00017 60 4YZ 0.00007 0.00022 0.00055 -0.00017 0.00062 61 5 H 1S 0.00013 -0.00360 -0.00183 -0.00183 0.00070 62 2S 0.00011 -0.00765 -0.00380 -0.00289 0.00148 63 6 H 1S 0.00043 0.00137 0.00038 0.00037 -0.00170 64 2S 0.00070 0.00374 0.00106 0.00177 -0.00353 65 7 O 1S -0.00113 -0.00041 -0.00019 0.00019 -0.00025 66 2S 0.00172 0.00103 0.00005 -0.00040 0.00048 67 2PX -0.00322 -0.00312 -0.00571 -0.00061 -0.00497 68 2PY -0.00525 -0.00022 -0.00352 0.00129 -0.00300 69 2PZ -0.00191 0.00376 -0.00395 0.00219 -0.00360 70 3S 0.00284 0.00163 0.00090 -0.00219 0.00023 71 3PX -0.00167 -0.00235 -0.00407 -0.00033 -0.00223 72 3PY -0.00393 -0.00032 -0.00219 0.00114 -0.00193 73 3PZ -0.00071 0.00283 -0.00122 0.00133 -0.00308 74 4XX 0.00009 -0.00001 -0.00046 0.00004 0.00020 75 4YY 0.00005 0.00004 0.00039 0.00013 0.00029 76 4ZZ -0.00010 -0.00004 -0.00010 -0.00003 -0.00046 77 4XY 0.00045 -0.00018 0.00033 -0.00009 0.00023 78 4XZ 0.00027 -0.00014 0.00002 -0.00007 -0.00020 79 4YZ 0.00028 -0.00037 0.00037 -0.00016 -0.00002 80 8 H 1S 0.00067 0.00200 -0.00225 0.00135 -0.00732 81 2S -0.00248 0.00396 -0.00105 0.00287 -0.00649 82 9 H 1S -0.00133 0.00728 0.00491 0.00219 0.01375 83 2S -0.00114 0.00780 0.00503 0.00106 0.00999 84 10 C 1S -0.00013 -0.00029 0.00016 -0.00048 0.00029 85 2S -0.00023 0.00012 -0.00026 0.00093 -0.00044 86 2PX -0.00212 -0.00135 0.00433 -0.00196 -0.00517 87 2PY 0.00021 0.00021 0.00101 -0.00047 -0.00091 88 2PZ 0.00109 0.00082 -0.00386 0.00187 0.00430 89 3S 0.00113 0.00123 0.00143 -0.00108 -0.00187 90 3PX -0.00074 -0.00018 0.00423 -0.00206 -0.00491 91 3PY -0.00027 -0.00052 0.00158 -0.00124 -0.00049 92 3PZ 0.00119 0.00131 -0.00243 0.00098 0.00297 93 4XX -0.00010 -0.00016 0.00005 -0.00017 -0.00001 94 4YY 0.00008 0.00007 0.00004 0.00010 -0.00007 95 4ZZ 0.00001 0.00017 -0.00002 0.00012 0.00000 96 4XY 0.00001 0.00011 -0.00003 0.00007 0.00001 97 4XZ -0.00004 0.00001 0.00000 -0.00003 -0.00008 98 4YZ -0.00004 -0.00009 0.00001 -0.00009 0.00002 99 11 C 1S -0.00006 -0.00029 -0.00007 -0.00015 0.00021 100 2S 0.00020 0.00039 0.00073 0.00017 -0.00063 101 2PX -0.00040 0.00168 0.00112 0.00113 -0.00166 102 2PY -0.00036 -0.00028 -0.00003 -0.00034 0.00047 103 2PZ 0.00041 -0.00081 0.00003 -0.00070 0.00061 104 3S -0.00034 0.00145 -0.00062 0.00230 -0.00015 105 3PX -0.00066 0.00194 0.00072 0.00173 -0.00124 106 3PY -0.00015 -0.00056 0.00100 -0.00120 -0.00023 107 3PZ -0.00027 -0.00077 -0.00074 0.00001 0.00098 108 4XX 0.00002 -0.00002 -0.00027 0.00005 0.00026 109 4YY 0.00000 -0.00001 0.00012 -0.00001 -0.00010 110 4ZZ -0.00001 0.00004 0.00015 -0.00003 -0.00014 111 4XY 0.00009 0.00008 -0.00017 0.00010 0.00022 112 4XZ -0.00003 0.00004 0.00000 0.00003 0.00001 113 4YZ -0.00004 -0.00003 0.00028 -0.00011 -0.00028 114 12 C 1S 0.00008 -0.00011 0.00037 -0.00016 -0.00043 115 2S -0.00002 0.00080 -0.00017 0.00052 0.00030 116 2PX 0.00029 0.00016 -0.00560 0.00162 0.00505 117 2PY 0.00010 -0.00085 0.00230 -0.00076 -0.00154 118 2PZ -0.00048 0.00001 0.00325 -0.00149 -0.00330 119 3S 0.00091 -0.00076 -0.00075 -0.00094 0.00172 120 3PX 0.00000 0.00059 -0.00377 0.00169 0.00388 121 3PY -0.00033 0.00107 0.00101 0.00101 -0.00112 122 3PZ -0.00013 -0.00013 0.00331 -0.00148 -0.00305 123 4XX 0.00001 -0.00011 -0.00023 -0.00002 0.00021 124 4YY 0.00000 0.00000 0.00013 -0.00001 -0.00009 125 4ZZ -0.00004 0.00012 -0.00002 0.00009 -0.00009 126 4XY -0.00001 0.00007 0.00010 0.00005 -0.00009 127 4XZ -0.00003 0.00008 0.00023 -0.00002 -0.00015 128 4YZ 0.00001 -0.00007 -0.00004 0.00000 0.00003 129 13 C 1S -0.00008 -0.00049 -0.00020 0.00000 0.00011 130 2S 0.00002 0.00104 0.00069 -0.00019 -0.00086 131 2PX -0.00039 0.00049 0.00069 -0.00064 -0.00045 132 2PY -0.00053 -0.00051 0.00008 -0.00001 -0.00028 133 2PZ 0.00052 -0.00123 -0.00080 0.00047 0.00108 134 3S 0.00032 0.00204 0.00000 0.00124 0.00020 135 3PX 0.00016 0.00013 0.00060 -0.00079 0.00027 136 3PY -0.00050 -0.00008 0.00040 -0.00020 -0.00075 137 3PZ 0.00046 -0.00077 -0.00015 -0.00018 0.00029 138 4XX 0.00000 -0.00004 0.00007 -0.00003 -0.00007 139 4YY -0.00001 -0.00001 0.00012 -0.00006 -0.00013 140 4ZZ -0.00001 -0.00004 -0.00024 0.00009 0.00020 141 4XY -0.00002 0.00004 0.00000 0.00003 -0.00001 142 4XZ -0.00006 0.00010 0.00029 -0.00008 -0.00030 143 4YZ -0.00002 -0.00001 -0.00005 -0.00005 0.00005 144 14 C 1S 0.00003 -0.00062 -0.00037 0.00066 0.00023 145 2S -0.00028 0.00051 0.00055 -0.00101 -0.00046 146 2PX -0.00017 0.00050 -0.00007 -0.00114 0.00049 147 2PY 0.00039 0.00048 0.00037 0.00007 -0.00025 148 2PZ 0.00086 -0.00154 -0.00068 0.00209 0.00104 149 3S -0.00173 0.00031 0.00252 -0.00127 -0.00140 150 3PX -0.00055 -0.00056 -0.00074 -0.00019 0.00029 151 3PY 0.00030 0.00096 0.00040 0.00011 -0.00086 152 3PZ -0.00003 -0.00250 -0.00077 0.00054 0.00121 153 4XX 0.00004 0.00005 -0.00009 0.00012 0.00013 154 4YY 0.00009 0.00005 0.00006 0.00001 -0.00004 155 4ZZ -0.00008 -0.00017 0.00003 -0.00016 0.00000 156 4XY 0.00002 0.00000 0.00001 0.00005 0.00000 157 4XZ 0.00004 0.00017 0.00001 -0.00002 0.00001 158 4YZ 0.00002 0.00005 0.00004 -0.00003 -0.00004 159 15 C 1S -0.00015 0.00005 -0.00065 0.00087 0.00069 160 2S -0.00072 -0.00093 0.00175 -0.00215 -0.00189 161 2PX -0.00200 -0.00300 0.00232 -0.00444 -0.00161 162 2PY -0.00233 -0.00031 -0.00081 -0.00155 0.00050 163 2PZ 0.00114 0.00308 -0.00135 0.00101 0.00103 164 3S -0.00221 -0.00431 -0.00026 -0.00174 0.00001 165 3PX -0.00123 -0.00194 0.00166 -0.00304 -0.00252 166 3PY -0.00109 -0.00251 -0.00187 -0.00075 0.00115 167 3PZ 0.00142 0.00257 -0.00108 0.00144 -0.00021 168 4XX 0.00004 0.00018 -0.00038 0.00023 0.00043 169 4YY 0.00015 -0.00003 0.00013 -0.00003 -0.00015 170 4ZZ -0.00007 0.00003 0.00018 -0.00010 -0.00011 171 4XY 0.00001 -0.00004 -0.00002 -0.00009 0.00003 172 4XZ -0.00004 -0.00003 0.00006 -0.00003 -0.00023 173 4YZ 0.00001 0.00010 -0.00001 0.00000 -0.00001 174 16 H 1S -0.00008 0.00003 -0.00004 0.00002 -0.00023 175 2S -0.00018 0.00021 0.00046 -0.00056 -0.00024 176 17 H 1S -0.00019 -0.00006 -0.00041 0.00004 0.00040 177 2S -0.00042 0.00012 -0.00102 0.00048 0.00077 178 18 H 1S 0.00017 -0.00023 0.00116 -0.00024 -0.00057 179 2S 0.00015 -0.00083 0.00147 -0.00089 -0.00104 180 19 H 1S -0.00030 0.00031 0.00088 -0.00045 -0.00090 181 2S -0.00071 0.00002 0.00118 -0.00037 -0.00185 182 20 H 1S 0.00002 0.00078 -0.00019 -0.00020 0.00044 183 2S 0.00154 0.00305 -0.00009 0.00037 -0.00013 184 21 H 1S 0.00113 -0.00055 0.00137 -0.00012 -0.00127 185 2S 0.00161 -0.00050 0.00017 0.00046 -0.00062 186 22 H 1S 0.00032 -0.00055 -0.00128 0.00051 0.00126 187 2S 0.00033 -0.00111 -0.00256 0.00036 0.00282 188 23 H 1S -0.00006 -0.00121 -0.00009 0.00067 0.00002 189 2S -0.00015 -0.00139 -0.00071 0.00051 0.00017 16 17 18 19 20 16 2 O 1S 2.07557 17 2S -0.17799 0.50359 18 2PX -0.01251 0.02850 0.64791 19 2PY 0.03973 -0.07464 -0.02586 0.66562 20 2PZ -0.00478 0.00375 -0.13783 -0.04102 0.71650 21 3S -0.24523 0.59250 0.04942 -0.21999 0.05273 22 3PX -0.00938 0.02093 0.40599 -0.03487 -0.15870 23 3PY 0.02573 -0.04921 -0.03536 0.42235 -0.03769 24 3PZ -0.00453 0.00464 -0.14600 -0.04619 0.46280 25 4XX -0.01520 -0.00285 -0.01349 -0.00530 0.00322 26 4YY -0.01267 -0.00833 0.00249 0.04105 -0.00244 27 4ZZ -0.01397 -0.00547 0.00533 -0.00589 -0.00731 28 4XY -0.00150 0.00344 0.02796 -0.00808 -0.00450 29 4XZ -0.00372 0.00792 -0.00237 0.00090 -0.00743 30 4YZ -0.00139 0.00292 -0.00402 -0.00308 0.02923 31 3 C 1S 0.00354 -0.00656 -0.02523 -0.05976 -0.02423 32 2S -0.00182 0.00256 0.05125 0.13128 0.04942 33 2PX 0.01529 -0.03725 -0.05310 -0.13976 -0.05329 34 2PY 0.02798 -0.06678 -0.12286 -0.21995 -0.13959 35 2PZ 0.01502 -0.03600 -0.05825 -0.14525 -0.05266 36 3S 0.02924 -0.07391 0.03114 0.09641 0.02272 37 3PX -0.00403 0.00862 0.00239 -0.05244 -0.04080 38 3PY 0.00234 -0.00203 -0.04748 -0.01936 -0.06256 39 3PZ -0.00333 0.00686 -0.06073 -0.05205 0.03540 40 4XX 0.00248 -0.00540 -0.02408 0.00102 0.00833 41 4YY -0.00615 0.01471 0.01377 -0.00405 0.01598 42 4ZZ 0.00216 -0.00417 0.00781 0.00110 -0.02693 43 4XY -0.00391 0.00924 -0.00690 0.01984 0.01749 44 4XZ -0.00149 0.00368 -0.00134 0.01286 -0.00132 45 4YZ -0.00458 0.01106 0.01703 0.02151 -0.00887 46 4 C 1S -0.00177 0.00716 -0.01256 0.02271 0.00200 47 2S 0.00495 -0.01548 0.02728 -0.05458 -0.00190 48 2PX 0.00446 -0.01397 -0.07077 -0.02756 0.04870 49 2PY -0.00162 0.01727 -0.03231 0.05834 -0.05122 50 2PZ 0.00858 -0.01589 0.04711 -0.01344 -0.05769 51 3S -0.01912 0.03953 0.05189 -0.11865 -0.02258 52 3PX -0.00040 -0.00018 -0.06279 0.01223 0.04580 53 3PY 0.00866 -0.01381 0.00293 0.07006 -0.04205 54 3PZ 0.00034 0.00415 0.01592 0.02568 -0.04494 55 4XX 0.00017 -0.00013 0.00181 -0.00128 -0.00149 56 4YY -0.00113 0.00172 -0.00323 0.00525 -0.00191 57 4ZZ -0.00041 0.00103 -0.00311 0.00022 0.00376 58 4XY 0.00019 -0.00005 0.00571 -0.00352 0.00395 59 4XZ 0.00019 -0.00040 -0.00061 -0.00129 0.00219 60 4YZ 0.00025 -0.00048 0.00497 -0.00300 0.00360 61 5 H 1S 0.00889 -0.02014 0.02514 -0.01451 -0.07388 62 2S 0.00532 -0.01017 0.08190 -0.02789 -0.15916 63 6 H 1S 0.01026 -0.02490 -0.06499 -0.01387 0.02890 64 2S 0.00570 -0.01482 -0.11691 -0.03139 0.07566 65 7 O 1S 0.00092 -0.00175 -0.00451 0.01105 -0.00933 66 2S -0.00175 0.00434 0.00771 -0.02888 0.01775 67 2PX -0.00451 0.00771 0.00552 0.00092 -0.01625 68 2PY -0.01104 0.02888 -0.00092 0.13550 -0.00572 69 2PZ -0.00933 0.01775 -0.01624 0.00575 0.00705 70 3S -0.01294 0.02675 0.03677 -0.05942 0.07072 71 3PX -0.00662 0.01437 0.00624 0.00134 -0.00569 72 3PY -0.00453 0.01241 -0.00192 0.10449 -0.01084 73 3PZ -0.01028 0.02059 -0.00999 0.00175 0.01675 74 4XX 0.00031 -0.00032 -0.00140 -0.00226 -0.00269 75 4YY 0.00035 -0.00120 0.00051 0.00223 0.00072 76 4ZZ -0.00024 0.00068 -0.00158 -0.00197 -0.00342 77 4XY 0.00079 -0.00193 -0.00037 -0.00332 0.00069 78 4XZ 0.00022 -0.00068 -0.00132 -0.00299 -0.00072 79 4YZ 0.00075 -0.00177 0.00020 -0.00194 -0.00060 80 8 H 1S -0.00352 0.00990 -0.02878 0.01996 -0.00586 81 2S -0.00324 0.00967 -0.05948 0.04325 0.00657 82 9 H 1S 0.01458 -0.02981 0.01401 0.01735 0.04332 83 2S 0.01572 -0.03188 0.01598 0.02196 0.07308 84 10 C 1S 0.00025 -0.00129 0.00317 0.00082 -0.00062 85 2S -0.00139 0.00317 -0.01246 0.00223 0.00105 86 2PX -0.00322 0.00263 -0.00852 0.00006 0.00173 87 2PY 0.00047 -0.00153 0.00184 0.00070 0.00194 88 2PZ 0.00087 0.00027 -0.00689 -0.00067 0.00446 89 3S 0.00079 -0.00745 -0.01266 -0.03844 0.04570 90 3PX -0.00142 -0.00210 -0.00816 -0.01578 0.02054 91 3PY 0.00426 -0.00988 0.01627 0.00470 -0.00925 92 3PZ 0.00192 -0.00330 -0.00863 -0.01122 0.01853 93 4XX 0.00007 -0.00017 0.00235 0.00047 -0.00184 94 4YY -0.00006 0.00022 -0.00167 0.00014 0.00100 95 4ZZ -0.00013 0.00056 -0.00253 0.00020 0.00209 96 4XY 0.00001 0.00003 -0.00170 -0.00006 0.00139 97 4XZ -0.00007 0.00008 -0.00035 -0.00047 0.00009 98 4YZ 0.00018 -0.00030 0.00253 0.00051 -0.00235 99 11 C 1S 0.00003 0.00010 0.00146 -0.00082 -0.00083 100 2S 0.00038 -0.00105 -0.00392 -0.00067 0.00297 101 2PX -0.00238 0.00425 -0.04303 -0.00104 0.03260 102 2PY 0.00041 -0.00032 0.00710 -0.00082 -0.00412 103 2PZ 0.00198 -0.00298 0.03015 0.00201 -0.02205 104 3S -0.00543 0.01365 -0.02272 0.01674 0.01046 105 3PX -0.00314 0.00674 -0.04386 0.00766 0.03159 106 3PY 0.00232 -0.00621 0.01549 -0.00397 -0.00332 107 3PZ 0.00044 0.00084 0.02318 0.01235 -0.02613 108 4XX 0.00000 0.00009 0.00031 -0.00001 -0.00068 109 4YY -0.00004 0.00004 -0.00041 -0.00024 0.00034 110 4ZZ 0.00000 -0.00011 -0.00058 -0.00028 0.00066 111 4XY 0.00015 -0.00016 -0.00003 0.00001 0.00025 112 4XZ -0.00004 0.00009 -0.00051 0.00026 0.00007 113 4YZ -0.00002 -0.00007 0.00033 -0.00006 0.00020 114 12 C 1S -0.00022 -0.00032 0.00196 -0.00012 -0.00038 115 2S -0.00083 0.00189 -0.01053 0.00069 0.00618 116 2PX -0.00029 0.00260 -0.00511 0.00506 -0.01086 117 2PY 0.00057 -0.00159 0.00636 -0.00592 0.00506 118 2PZ -0.00038 -0.00241 0.00385 -0.00207 0.00367 119 3S 0.00478 -0.01174 0.01340 -0.01504 -0.00940 120 3PX 0.00034 0.00062 -0.00598 0.01029 -0.00676 121 3PY -0.00292 0.00710 -0.01719 0.00351 0.01291 122 3PZ -0.00037 -0.00261 0.00465 -0.00627 0.01134 123 4XX 0.00005 0.00009 0.00284 0.00057 -0.00300 124 4YY -0.00013 0.00025 -0.00074 -0.00051 0.00126 125 4ZZ -0.00024 0.00047 -0.00252 0.00016 0.00186 126 4XY -0.00001 0.00007 -0.00087 0.00024 0.00054 127 4XZ -0.00001 -0.00013 -0.00149 -0.00050 0.00179 128 4YZ 0.00001 0.00003 0.00036 0.00001 -0.00037 129 13 C 1S 0.00035 -0.00036 0.00404 0.00108 -0.00486 130 2S -0.00090 0.00121 -0.00894 -0.00204 0.01105 131 2PX -0.00001 0.00059 0.00208 -0.00350 0.00420 132 2PY 0.00021 -0.00149 -0.00085 0.00314 -0.00132 133 2PZ 0.00074 -0.00001 0.00993 0.00004 -0.00777 134 3S -0.00140 0.00520 -0.02580 -0.00375 0.01644 135 3PX 0.00066 -0.00116 0.00457 -0.01138 0.00984 136 3PY 0.00032 -0.00170 -0.00796 0.00147 0.00790 137 3PZ 0.00120 -0.00313 0.00206 -0.00662 0.00189 138 4XX 0.00004 -0.00018 0.00035 -0.00002 -0.00015 139 4YY -0.00004 0.00000 0.00056 -0.00024 -0.00030 140 4ZZ -0.00007 0.00014 0.00002 0.00066 -0.00126 141 4XY -0.00020 0.00047 -0.00080 -0.00022 0.00112 142 4XZ -0.00011 0.00016 -0.00059 -0.00033 0.00133 143 4YZ 0.00014 -0.00015 0.00081 0.00016 -0.00077 144 14 C 1S -0.00056 0.00228 -0.00379 -0.00114 0.00311 145 2S 0.00099 -0.00252 0.01216 -0.00118 -0.00877 146 2PX 0.00448 -0.00961 0.01822 0.00506 -0.02213 147 2PY -0.00124 0.00340 -0.00615 -0.00452 0.00845 148 2PZ -0.00165 0.00099 -0.00593 0.00074 -0.00281 149 3S 0.00837 -0.01856 0.01251 0.03112 -0.02064 150 3PX 0.00231 -0.00416 0.01347 0.01811 -0.03046 151 3PY -0.00265 0.00504 -0.01906 -0.00894 0.03008 152 3PZ 0.00095 -0.00118 0.02775 0.01364 -0.04819 153 4XX 0.00014 -0.00029 -0.00092 0.00024 0.00025 154 4YY -0.00007 0.00012 -0.00022 -0.00054 0.00078 155 4ZZ 0.00013 -0.00040 0.00224 -0.00010 -0.00182 156 4XY -0.00014 0.00034 -0.00076 -0.00014 0.00109 157 4XZ 0.00013 -0.00031 0.00009 -0.00041 0.00039 158 4YZ 0.00001 0.00010 -0.00011 -0.00023 0.00069 159 15 C 1S -0.00006 0.00144 -0.00871 -0.00185 0.00815 160 2S 0.00124 -0.00357 0.01381 0.00158 -0.00917 161 2PX 0.00404 -0.00921 0.06018 0.00861 -0.05232 162 2PY 0.00016 -0.00011 0.01144 -0.00100 -0.01312 163 2PZ 0.00063 0.00160 -0.01992 -0.00435 0.02774 164 3S -0.00072 0.00713 0.06013 0.03806 -0.09375 165 3PX -0.00230 0.00371 0.03304 -0.01207 -0.02385 166 3PY -0.00275 0.00817 0.03525 0.00555 -0.05511 167 3PZ -0.00410 0.00911 -0.03603 -0.01762 0.04420 168 4XX 0.00035 -0.00046 -0.00293 -0.00032 0.00201 169 4YY 0.00017 -0.00051 0.00016 0.00000 0.00057 170 4ZZ 0.00016 -0.00055 0.00088 0.00000 0.00045 171 4XY 0.00005 -0.00017 0.00094 -0.00031 0.00014 172 4XZ -0.00011 0.00025 0.00017 0.00046 -0.00175 173 4YZ 0.00000 0.00013 -0.00009 -0.00005 0.00007 174 16 H 1S 0.00019 0.00028 0.00315 -0.00017 -0.00405 175 2S 0.00148 -0.00269 0.00741 -0.00120 -0.00151 176 17 H 1S -0.00010 0.00005 -0.00034 0.00008 -0.00141 177 2S -0.00077 0.00190 -0.00462 0.00423 -0.00298 178 18 H 1S 0.00027 -0.00065 -0.00043 -0.00414 0.00615 179 2S 0.00064 -0.00182 0.00851 -0.00308 0.00135 180 19 H 1S -0.00029 0.00059 -0.00035 -0.00238 0.00407 181 2S -0.00186 0.00406 0.00767 0.00836 -0.00690 182 20 H 1S 0.00248 -0.00571 0.00293 0.00146 -0.00480 183 2S -0.00390 0.00520 -0.03406 -0.03728 0.06464 184 21 H 1S 0.00030 -0.00116 0.00313 0.00246 -0.00082 185 2S -0.00252 0.00539 -0.00053 -0.00903 -0.00039 186 22 H 1S 0.00058 -0.00069 0.00313 0.00275 -0.00693 187 2S 0.00121 -0.00104 0.01766 0.00415 -0.02058 188 23 H 1S -0.00177 0.00219 -0.00117 0.00041 -0.00143 189 2S -0.00270 0.00417 -0.00434 -0.00207 0.00442 21 22 23 24 25 21 3S 0.75617 22 3PX 0.03229 0.26577 23 3PY -0.14006 -0.03225 0.26980 24 3PZ 0.04136 -0.13780 -0.03459 0.30849 25 4XX -0.00421 -0.00785 -0.00286 0.00301 0.00104 26 4YY -0.01836 0.00029 0.02560 -0.00326 -0.00033 27 4ZZ -0.00646 0.00401 -0.00371 -0.00472 0.00002 28 4XY 0.00490 0.01726 -0.00594 -0.00506 -0.00037 29 4XZ 0.00741 -0.00077 0.00087 -0.00424 0.00009 30 4YZ 0.00413 -0.00508 -0.00252 0.01812 0.00023 31 3 C 1S 0.02100 -0.00730 -0.03520 -0.00646 0.00031 32 2S -0.05475 0.01639 0.07587 0.01413 -0.00092 33 2PX -0.02477 -0.03746 -0.08011 -0.01332 0.00985 34 2PY -0.03596 -0.04929 -0.13390 -0.06661 0.00249 35 2PZ -0.02665 -0.01733 -0.08593 -0.03966 0.00036 36 3S -0.13767 0.00867 0.05610 -0.00200 0.00126 37 3PX 0.01708 0.00190 -0.03030 -0.02003 0.00281 38 3PY 0.00629 -0.02067 -0.00871 -0.03359 0.00039 39 3PZ 0.01928 -0.03709 -0.03011 0.02610 0.00025 40 4XX -0.00775 -0.01644 0.00129 0.00819 0.00094 41 4YY 0.02322 0.00749 -0.00301 0.00990 -0.00058 42 4ZZ -0.00867 0.00798 0.00069 -0.01914 -0.00039 43 4XY 0.00750 -0.00701 0.01253 0.01068 0.00007 44 4XZ 0.00155 -0.00098 0.00776 -0.00087 -0.00035 45 4YZ 0.00927 0.01035 0.01360 -0.00786 -0.00048 46 4 C 1S -0.00338 -0.00941 0.01410 0.00235 0.00027 47 2S -0.00398 0.02046 -0.03728 -0.00388 0.00014 48 2PX -0.01643 -0.05944 -0.01912 0.04773 -0.00368 49 2PY -0.03055 -0.01728 0.03997 -0.04114 0.00416 50 2PZ -0.06696 0.04762 -0.01435 -0.05147 0.00503 51 3S 0.06991 0.04012 -0.07832 -0.02363 0.00129 52 3PX 0.00817 -0.05124 0.00943 0.03962 -0.00203 53 3PY -0.04760 0.00649 0.04594 -0.03260 0.00205 54 3PZ -0.02588 0.02007 0.01465 -0.03821 0.00335 55 4XX -0.00333 0.00099 -0.00137 -0.00132 -0.00005 56 4YY 0.00284 -0.00167 0.00393 -0.00071 0.00009 57 4ZZ 0.00163 -0.00235 0.00031 0.00284 -0.00001 58 4XY -0.00090 0.00407 -0.00219 0.00122 0.00046 59 4XZ -0.00219 -0.00033 -0.00114 0.00133 0.00004 60 4YZ -0.00023 0.00223 -0.00193 0.00308 -0.00020 61 5 H 1S -0.04560 0.02839 -0.00974 -0.06367 -0.00188 62 2S -0.02896 0.07369 -0.01831 -0.12026 -0.00272 63 6 H 1S -0.04016 -0.05426 -0.00600 0.03093 0.00638 64 2S -0.01085 -0.08762 -0.01562 0.06848 0.00588 65 7 O 1S -0.01294 -0.00662 0.00453 -0.01028 0.00031 66 2S 0.02675 0.01437 -0.01241 0.02059 -0.00032 67 2PX 0.03677 0.00624 0.00192 -0.01000 -0.00140 68 2PY 0.05940 -0.00134 0.10448 -0.00173 0.00226 69 2PZ 0.07072 -0.00568 0.01085 0.01676 -0.00269 70 3S 0.08394 0.02853 -0.02905 0.05953 -0.00148 71 3PX 0.02853 0.00658 0.00115 -0.00632 -0.00031 72 3PY 0.02903 -0.00115 0.07829 -0.00617 0.00118 73 3PZ 0.05953 -0.00632 0.00619 0.02065 -0.00183 74 4XX -0.00148 -0.00031 -0.00118 -0.00184 0.00050 75 4YY -0.00513 -0.00009 0.00014 -0.00021 -0.00026 76 4ZZ 0.00135 -0.00074 -0.00094 -0.00230 -0.00004 77 4XY -0.00244 0.00008 -0.00244 0.00041 -0.00010 78 4XZ -0.00058 -0.00070 -0.00179 -0.00023 0.00005 79 4YZ -0.00258 -0.00036 -0.00155 -0.00015 0.00000 80 8 H 1S 0.01898 -0.02013 0.01569 -0.00329 -0.00004 81 2S 0.01364 -0.04088 0.03097 0.00722 0.00016 82 9 H 1S -0.07740 0.00237 0.00922 0.03206 0.00288 83 2S -0.06866 -0.00175 0.01053 0.04917 0.00109 84 10 C 1S 0.00114 0.00189 0.00093 -0.00173 -0.00008 85 2S 0.00790 -0.01050 0.00179 0.00208 -0.00055 86 2PX 0.03874 -0.01370 0.00430 -0.00205 -0.00230 87 2PY -0.00181 0.00021 0.00012 0.00177 -0.00019 88 2PZ -0.01430 -0.00372 -0.00182 0.00526 0.00099 89 3S 0.00169 -0.01066 -0.02535 0.03136 0.00069 90 3PX 0.02453 -0.01122 -0.00766 0.01284 -0.00147 91 3PY -0.01276 0.01247 0.00281 -0.00864 0.00013 92 3PZ -0.01834 -0.00387 -0.00921 0.01389 0.00156 93 4XX -0.00011 0.00200 0.00036 -0.00202 0.00013 94 4YY 0.00019 -0.00128 0.00012 0.00108 -0.00005 95 4ZZ 0.00009 -0.00180 0.00005 0.00199 -0.00002 96 4XY -0.00011 -0.00141 -0.00014 0.00138 -0.00009 97 4XZ 0.00016 -0.00017 -0.00034 0.00012 0.00000 98 4YZ -0.00123 0.00239 0.00031 -0.00209 0.00014 99 11 C 1S -0.00062 0.00134 -0.00076 -0.00103 0.00009 100 2S -0.00216 -0.00261 -0.00013 0.00346 -0.00010 101 2PX 0.01710 -0.03878 -0.00032 0.03012 -0.00275 102 2PY -0.00387 0.00824 -0.00031 -0.00421 0.00069 103 2PZ -0.01805 0.03033 0.00157 -0.01983 0.00236 104 3S 0.01897 -0.01853 0.01304 0.01212 -0.00048 105 3PX 0.01954 -0.03921 0.00582 0.02959 -0.00241 106 3PY -0.00641 0.01308 -0.00226 -0.00470 0.00063 107 3PZ -0.00831 0.02231 0.00876 -0.02175 0.00160 108 4XX -0.00044 0.00021 -0.00012 -0.00053 0.00002 109 4YY 0.00028 -0.00031 -0.00018 0.00030 -0.00002 110 4ZZ 0.00054 -0.00046 -0.00004 0.00051 -0.00001 111 4XY -0.00178 0.00025 -0.00020 0.00043 0.00007 112 4XZ 0.00022 -0.00043 0.00024 0.00015 -0.00002 113 4YZ 0.00067 0.00026 0.00007 0.00008 -0.00004 114 12 C 1S 0.00417 0.00087 0.00084 -0.00100 0.00013 115 2S 0.00260 -0.00950 0.00063 0.00695 -0.00070 116 2PX -0.00468 -0.00800 0.00068 -0.00653 -0.00054 117 2PY -0.00354 0.00668 -0.00534 0.00313 0.00032 118 2PZ 0.01629 0.00037 0.00212 0.00013 -0.00035 119 3S -0.02205 0.00990 -0.01203 -0.00810 -0.00027 120 3PX -0.00577 -0.00764 0.00555 -0.00206 -0.00061 121 3PY 0.01075 -0.01269 0.00296 0.01200 -0.00014 122 3PZ 0.01418 0.00164 -0.00118 0.00637 -0.00022 123 4XX -0.00127 0.00285 0.00037 -0.00270 0.00027 124 4YY 0.00029 -0.00057 -0.00046 0.00102 -0.00002 125 4ZZ 0.00151 -0.00228 0.00020 0.00155 -0.00012 126 4XY -0.00019 -0.00059 0.00018 0.00056 -0.00002 127 4XZ 0.00050 -0.00134 -0.00030 0.00155 -0.00009 128 4YZ -0.00001 0.00031 -0.00001 -0.00033 0.00000 129 13 C 1S -0.00302 0.00391 0.00036 -0.00479 0.00039 130 2S 0.00783 -0.00955 -0.00119 0.00936 -0.00038 131 2PX -0.00133 0.00212 -0.00402 0.00351 0.00086 132 2PY 0.00365 -0.00074 0.00360 -0.00254 -0.00007 133 2PZ -0.01229 0.01197 -0.00175 -0.00680 0.00102 134 3S 0.00764 -0.02368 -0.00329 0.01703 -0.00092 135 3PX -0.00274 0.00319 -0.00886 0.00549 0.00070 136 3PY 0.00055 -0.00614 0.00121 0.00421 0.00017 137 3PZ -0.01042 0.00362 -0.00583 -0.00022 0.00061 138 4XX -0.00035 0.00055 0.00000 -0.00026 0.00007 139 4YY 0.00020 0.00032 -0.00020 -0.00007 -0.00005 140 4ZZ -0.00016 0.00000 0.00047 -0.00093 -0.00002 141 4XY 0.00093 -0.00060 -0.00006 0.00079 0.00004 142 4XZ 0.00111 -0.00060 -0.00009 0.00110 -0.00003 143 4YZ -0.00109 0.00079 -0.00008 -0.00050 0.00003 144 14 C 1S -0.00116 -0.00096 -0.00086 0.00116 0.00046 145 2S -0.00488 0.00699 -0.00248 -0.00346 -0.00072 146 2PX -0.02703 0.01209 -0.00199 -0.01267 -0.00018 147 2PY 0.00435 -0.00447 -0.00335 0.00584 0.00039 148 2PZ 0.01800 -0.00653 0.00534 -0.00685 0.00000 149 3S -0.02749 0.00876 0.01882 -0.01345 -0.00045 150 3PX -0.01422 0.01047 0.00960 -0.01986 -0.00034 151 3PY 0.00734 -0.01350 -0.00611 0.02006 0.00079 152 3PZ 0.00314 0.01960 0.01099 -0.03600 -0.00089 153 4XX -0.00059 -0.00078 0.00013 0.00032 -0.00003 154 4YY 0.00044 -0.00045 -0.00037 0.00083 -0.00008 155 4ZZ -0.00016 0.00192 0.00007 -0.00189 0.00010 156 4XY 0.00080 -0.00051 0.00004 0.00072 0.00001 157 4XZ -0.00116 -0.00034 -0.00063 0.00109 -0.00016 158 4YZ -0.00073 0.00011 -0.00034 0.00072 0.00002 159 15 C 1S -0.00560 -0.00393 -0.00167 0.00724 0.00024 160 2S -0.00091 0.01000 0.00082 -0.00760 -0.00022 161 2PX -0.01760 0.05169 0.00515 -0.04912 0.00249 162 2PY -0.00057 0.01067 -0.00137 -0.01409 0.00102 163 2PZ -0.01791 -0.01445 -0.00723 0.03125 -0.00083 164 3S 0.00112 0.04691 0.02465 -0.06962 -0.00102 165 3PX 0.00864 0.02864 -0.00708 -0.02555 0.00166 166 3PY 0.00729 0.02789 0.00347 -0.04139 -0.00027 167 3PZ 0.00832 -0.02875 -0.01326 0.04031 -0.00089 168 4XX -0.00246 -0.00148 -0.00033 0.00128 0.00033 169 4YY 0.00011 -0.00020 0.00005 0.00055 -0.00011 170 4ZZ 0.00027 0.00035 0.00008 0.00015 -0.00007 171 4XY -0.00047 0.00083 -0.00030 -0.00014 0.00008 172 4XZ 0.00070 -0.00011 0.00019 -0.00076 -0.00020 173 4YZ -0.00070 0.00009 -0.00017 0.00036 0.00001 174 16 H 1S -0.00398 0.00455 -0.00079 -0.00269 0.00028 175 2S -0.00954 0.00836 -0.00169 -0.00184 0.00063 176 17 H 1S 0.00234 -0.00114 0.00026 -0.00126 -0.00010 177 2S 0.00493 -0.00489 0.00317 -0.00198 -0.00028 178 18 H 1S -0.00284 0.00000 -0.00403 0.00529 -0.00014 179 2S -0.00272 0.00714 -0.00308 0.00040 0.00008 180 19 H 1S 0.00245 0.00061 -0.00185 0.00296 0.00050 181 2S 0.01129 0.00768 0.00727 -0.00400 0.00018 182 20 H 1S -0.01335 -0.00015 -0.00175 -0.00079 -0.00054 183 2S 0.00935 -0.02981 -0.02635 0.04876 0.00006 184 21 H 1S 0.00162 0.00071 0.00216 0.00107 -0.00078 185 2S 0.01044 -0.00212 -0.00530 0.00268 -0.00088 186 22 H 1S -0.00618 0.00336 0.00131 -0.00539 0.00001 187 2S -0.01248 0.01546 0.00143 -0.01641 0.00042 188 23 H 1S 0.01642 -0.00081 0.00446 -0.00560 0.00021 189 2S 0.01706 -0.00079 0.00283 -0.00444 0.00130 26 27 28 29 30 26 4YY 0.00294 27 4ZZ -0.00023 0.00079 28 4XY -0.00030 0.00034 0.00161 29 4XZ -0.00005 0.00011 -0.00008 0.00045 30 4YZ -0.00015 -0.00019 0.00006 -0.00028 0.00151 31 3 C 1S -0.00712 0.00033 -0.00305 -0.00130 -0.00368 32 2S 0.01321 -0.00064 0.00577 0.00169 0.00688 33 2PX -0.01103 -0.00019 0.00350 0.00298 -0.00514 34 2PY -0.01050 0.00109 -0.00262 -0.00092 -0.00522 35 2PZ -0.01121 0.00932 -0.00410 0.00265 0.00219 36 3S 0.00987 0.00118 0.00446 0.00062 0.00523 37 3PX -0.00395 -0.00003 0.00213 0.00170 -0.00267 38 3PY -0.00111 -0.00049 -0.00188 0.00024 -0.00254 39 3PZ -0.00408 0.00221 -0.00299 0.00123 0.00263 40 4XX -0.00003 -0.00048 -0.00079 0.00011 0.00001 41 4YY -0.00031 -0.00042 0.00053 -0.00031 0.00060 42 4ZZ 0.00013 0.00081 0.00004 0.00027 -0.00083 43 4XY 0.00082 -0.00036 -0.00053 0.00012 0.00065 44 4XZ 0.00098 -0.00037 -0.00029 -0.00004 -0.00020 45 4YZ 0.00102 -0.00007 0.00044 0.00032 -0.00038 46 4 C 1S 0.00139 0.00102 0.00070 -0.00006 0.00092 47 2S -0.00234 -0.00120 -0.00154 0.00020 -0.00213 48 2PX -0.00091 0.00256 -0.00303 0.00117 -0.00170 49 2PY 0.00258 0.00250 0.00608 -0.00136 0.00473 50 2PZ 0.00125 -0.00056 0.00086 0.00027 -0.00040 51 3S -0.00668 -0.00190 0.00119 -0.00024 -0.00089 52 3PX -0.00009 0.00056 -0.00307 0.00084 -0.00049 53 3PY 0.00370 0.00107 0.00152 0.00009 0.00056 54 3PZ 0.00190 -0.00081 0.00019 0.00043 -0.00013 55 4XX 0.00012 0.00028 0.00034 -0.00007 0.00012 56 4YY 0.00005 -0.00010 -0.00045 0.00027 -0.00028 57 4ZZ 0.00004 -0.00004 0.00018 -0.00014 0.00037 58 4XY -0.00039 0.00010 0.00033 -0.00002 0.00037 59 4XZ 0.00013 -0.00003 0.00009 -0.00007 0.00016 60 4YZ -0.00029 0.00046 0.00023 0.00020 -0.00002 61 5 H 1S 0.00010 0.00617 0.00032 0.00215 0.00169 62 2S -0.00145 0.00636 0.00176 0.00178 -0.00307 63 6 H 1S -0.00047 -0.00214 0.00191 0.00194 0.00018 64 2S -0.00281 -0.00286 -0.00179 0.00098 0.00080 65 7 O 1S 0.00035 -0.00024 -0.00079 0.00022 -0.00075 66 2S -0.00120 0.00068 0.00193 -0.00068 0.00177 67 2PX 0.00051 -0.00158 0.00037 -0.00132 -0.00020 68 2PY -0.00223 0.00197 -0.00332 0.00299 -0.00194 69 2PZ 0.00072 -0.00342 -0.00069 -0.00072 0.00060 70 3S -0.00514 0.00135 0.00244 -0.00058 0.00257 71 3PX -0.00009 -0.00074 -0.00008 -0.00070 0.00036 72 3PY -0.00014 0.00094 -0.00244 0.00179 -0.00155 73 3PZ -0.00021 -0.00229 -0.00041 -0.00023 0.00015 74 4XX -0.00026 -0.00004 0.00010 0.00005 0.00000 75 4YY 0.00085 -0.00029 0.00011 -0.00015 0.00014 76 4ZZ -0.00029 0.00025 -0.00002 0.00008 -0.00004 77 4XY -0.00011 0.00002 -0.00029 -0.00001 -0.00012 78 4XZ -0.00015 0.00008 0.00001 0.00004 -0.00002 79 4YZ -0.00014 0.00004 -0.00012 0.00002 -0.00034 80 8 H 1S 0.00060 -0.00074 0.00076 -0.00092 0.00110 81 2S 0.00203 -0.00140 -0.00066 -0.00084 0.00143 82 9 H 1S 0.00091 0.00570 0.00313 0.00366 0.00319 83 2S 0.00185 0.00403 0.00327 0.00123 0.00428 84 10 C 1S -0.00033 -0.00035 0.00003 0.00017 -0.00007 85 2S -0.00005 0.00000 -0.00064 0.00006 -0.00021 86 2PX -0.00142 -0.00131 -0.00059 0.00018 -0.00132 87 2PY -0.00003 -0.00040 0.00017 -0.00001 -0.00016 88 2PZ 0.00070 0.00115 -0.00032 0.00009 0.00089 89 3S -0.00216 -0.00044 0.00004 -0.00101 0.00163 90 3PX -0.00173 -0.00103 -0.00020 -0.00032 -0.00030 91 3PY 0.00044 -0.00032 0.00066 -0.00012 -0.00037 92 3PZ 0.00007 0.00067 -0.00002 -0.00034 0.00151 93 4XX 0.00000 -0.00012 0.00009 -0.00002 -0.00002 94 4YY 0.00002 0.00001 -0.00007 0.00001 0.00000 95 4ZZ 0.00003 0.00007 -0.00009 0.00003 0.00006 96 4XY 0.00000 0.00009 -0.00006 0.00001 0.00002 97 4XZ -0.00002 0.00001 0.00000 -0.00002 0.00001 98 4YZ 0.00005 -0.00008 0.00010 -0.00002 -0.00002 99 11 C 1S 0.00004 0.00015 0.00003 0.00002 0.00002 100 2S 0.00005 -0.00011 -0.00009 -0.00004 -0.00009 101 2PX -0.00045 0.00128 -0.00141 0.00042 0.00003 102 2PY 0.00012 0.00009 0.00026 -0.00002 0.00013 103 2PZ 0.00073 -0.00096 0.00123 -0.00035 -0.00002 104 3S 0.00033 -0.00011 -0.00099 0.00059 -0.00005 105 3PX -0.00017 0.00105 -0.00170 0.00058 0.00005 106 3PY -0.00018 -0.00029 0.00061 -0.00016 -0.00005 107 3PZ 0.00088 -0.00081 0.00083 -0.00001 -0.00032 108 4XX 0.00002 0.00007 0.00003 0.00001 0.00003 109 4YY -0.00002 -0.00002 -0.00003 0.00000 -0.00002 110 4ZZ -0.00004 -0.00003 -0.00003 0.00000 0.00000 111 4XY 0.00007 0.00009 0.00002 -0.00001 0.00006 112 4XZ 0.00000 0.00001 -0.00002 0.00001 0.00000 113 4YZ -0.00003 -0.00008 0.00001 -0.00001 -0.00005 114 12 C 1S -0.00035 -0.00059 -0.00006 -0.00001 0.00000 115 2S 0.00001 0.00049 -0.00032 0.00012 0.00005 116 2PX 0.00039 0.00161 0.00006 0.00024 0.00046 117 2PY -0.00001 -0.00047 -0.00005 -0.00009 -0.00022 118 2PZ -0.00100 -0.00143 -0.00023 -0.00015 -0.00048 119 3S -0.00009 0.00112 0.00078 -0.00042 0.00012 120 3PX 0.00059 0.00155 0.00003 0.00039 0.00021 121 3PY 0.00005 -0.00034 -0.00066 0.00024 0.00012 122 3PZ -0.00109 -0.00116 -0.00012 -0.00009 -0.00030 123 4XX 0.00006 -0.00011 0.00012 -0.00002 0.00002 124 4YY -0.00002 -0.00001 -0.00005 0.00001 0.00000 125 4ZZ -0.00004 0.00003 -0.00008 0.00002 0.00004 126 4XY 0.00003 0.00002 -0.00001 0.00000 0.00001 127 4XZ -0.00004 0.00003 -0.00007 0.00001 -0.00002 128 4YZ 0.00001 -0.00001 0.00001 0.00000 -0.00002 129 13 C 1S 0.00020 0.00013 0.00012 -0.00004 -0.00012 130 2S -0.00039 0.00006 -0.00032 0.00003 0.00006 131 2PX -0.00015 -0.00014 0.00017 -0.00017 -0.00007 132 2PY -0.00010 -0.00042 0.00007 -0.00007 -0.00019 133 2PZ 0.00069 -0.00005 0.00049 -0.00004 0.00002 134 3S -0.00005 0.00064 -0.00066 0.00026 0.00011 135 3PX -0.00042 -0.00017 0.00030 -0.00021 0.00039 136 3PY -0.00011 -0.00046 -0.00028 -0.00025 0.00016 137 3PZ 0.00010 0.00006 0.00015 -0.00019 0.00026 138 4XX 0.00001 -0.00005 0.00001 -0.00001 0.00000 139 4YY -0.00003 0.00001 0.00001 -0.00001 -0.00005 140 4ZZ 0.00003 0.00004 0.00001 0.00001 0.00000 141 4XY 0.00000 -0.00004 -0.00002 0.00005 0.00005 142 4XZ -0.00006 -0.00004 -0.00002 -0.00001 -0.00002 143 4YZ 0.00005 0.00005 0.00005 -0.00001 -0.00001 144 14 C 1S 0.00040 0.00021 -0.00008 0.00030 0.00031 145 2S -0.00042 0.00056 0.00060 -0.00048 -0.00067 146 2PX -0.00023 0.00142 0.00078 -0.00179 -0.00146 147 2PY -0.00003 -0.00010 -0.00045 0.00033 0.00046 148 2PZ -0.00064 -0.00159 -0.00066 0.00045 -0.00005 149 3S 0.00149 -0.00030 0.00034 -0.00070 -0.00142 150 3PX 0.00081 0.00048 0.00029 -0.00073 -0.00148 151 3PY -0.00051 -0.00047 -0.00084 -0.00010 0.00139 152 3PZ 0.00054 -0.00017 0.00070 0.00054 -0.00194 153 4XX -0.00002 0.00005 -0.00005 -0.00003 0.00000 154 4YY -0.00001 0.00006 -0.00001 0.00002 -0.00001 155 4ZZ 0.00000 -0.00010 0.00010 0.00001 -0.00001 156 4XY 0.00003 -0.00003 -0.00004 0.00007 0.00006 157 4XZ 0.00000 0.00024 0.00003 -0.00005 -0.00007 158 4YZ 0.00004 0.00005 0.00002 -0.00001 0.00002 159 15 C 1S 0.00041 0.00077 -0.00030 0.00009 0.00035 160 2S 0.00028 -0.00013 0.00069 -0.00043 -0.00059 161 2PX 0.00014 -0.00221 0.00263 -0.00078 -0.00104 162 2PY -0.00053 -0.00025 0.00048 -0.00003 0.00015 163 2PZ 0.00077 0.00242 -0.00036 0.00006 0.00079 164 3S 0.00234 0.00015 0.00189 0.00061 -0.00343 165 3PX -0.00115 -0.00189 0.00172 -0.00060 -0.00027 166 3PY 0.00011 0.00022 0.00110 0.00050 -0.00176 167 3PZ -0.00071 0.00145 -0.00119 0.00008 0.00116 168 4XX -0.00001 -0.00001 -0.00010 -0.00002 0.00021 169 4YY 0.00002 -0.00003 -0.00001 -0.00003 -0.00004 170 4ZZ -0.00005 -0.00002 0.00005 0.00000 0.00000 171 4XY -0.00002 -0.00004 0.00003 -0.00003 0.00003 172 4XZ 0.00001 0.00007 -0.00002 -0.00005 -0.00017 173 4YZ 0.00004 0.00006 0.00002 0.00000 0.00002 174 16 H 1S 0.00012 0.00003 0.00020 -0.00012 0.00002 175 2S 0.00018 -0.00002 0.00051 -0.00021 0.00026 176 17 H 1S -0.00015 0.00007 -0.00012 0.00005 0.00001 177 2S 0.00000 0.00022 -0.00030 0.00015 0.00001 178 18 H 1S 0.00004 0.00006 -0.00017 0.00000 -0.00008 179 2S -0.00003 -0.00024 0.00002 -0.00006 -0.00028 180 19 H 1S -0.00015 -0.00026 0.00004 -0.00001 -0.00004 181 2S 0.00006 -0.00050 0.00018 0.00031 -0.00058 182 20 H 1S -0.00055 0.00098 0.00014 -0.00117 -0.00064 183 2S -0.00277 0.00098 -0.00087 -0.00114 0.00220 184 21 H 1S 0.00045 -0.00011 0.00008 -0.00013 -0.00054 185 2S -0.00030 0.00018 -0.00009 0.00014 -0.00048 186 22 H 1S 0.00039 0.00029 0.00021 -0.00001 0.00001 187 2S 0.00062 0.00048 0.00079 -0.00008 -0.00007 188 23 H 1S -0.00032 -0.00157 -0.00023 0.00065 0.00028 189 2S -0.00042 -0.00217 -0.00037 0.00047 0.00097 31 32 33 34 35 31 3 C 1S 2.04980 32 2S -0.06512 0.34291 33 2PX -0.01454 0.02587 0.42805 34 2PY 0.00000 0.00000 0.00000 0.29269 35 2PZ -0.01514 0.02464 -0.04321 -0.00002 0.42488 36 3S -0.14988 0.26010 0.04456 -0.00001 0.05595 37 3PX -0.00856 0.01867 0.15540 0.00000 -0.01404 38 3PY 0.00000 0.00000 0.00000 0.07096 -0.00001 39 3PZ -0.01236 0.02305 -0.00828 -0.00001 0.14519 40 4XX -0.01782 0.00026 0.02406 0.00000 -0.00911 41 4YY -0.01312 -0.01025 -0.01562 0.00001 -0.01616 42 4ZZ -0.01764 -0.00043 -0.01021 -0.00001 0.02326 43 4XY 0.00000 0.00000 0.00000 -0.02088 0.00000 44 4XZ 0.00060 -0.00098 -0.01140 0.00000 -0.01234 45 4YZ 0.00000 0.00000 0.00000 -0.02050 -0.00001 46 4 C 1S -0.00316 0.00672 -0.01114 0.00217 -0.00866 47 2S 0.00630 -0.01756 0.02806 -0.00474 0.02121 48 2PX 0.00913 -0.02190 0.02079 -0.03532 0.03431 49 2PY -0.01013 0.03219 -0.01614 -0.02088 -0.02129 50 2PZ 0.00381 -0.01021 0.02271 -0.03815 0.00269 51 3S 0.00669 -0.01117 0.04028 0.01437 0.03383 52 3PX 0.00601 -0.01084 0.01474 -0.02863 0.02619 53 3PY -0.00710 0.01566 -0.00224 -0.02780 -0.00358 54 3PZ 0.00104 0.00196 0.01112 -0.02414 -0.00501 55 4XX -0.00035 0.00108 -0.00362 -0.00023 -0.00250 56 4YY 0.00097 -0.00241 0.00310 -0.00266 0.00292 57 4ZZ -0.00113 0.00264 -0.00371 0.00408 -0.00353 58 4XY 0.00146 -0.00346 0.00387 -0.00847 0.00433 59 4XZ -0.00001 0.00075 -0.00315 0.00029 -0.00327 60 4YZ 0.00168 -0.00394 0.00431 -0.00716 0.00376 61 5 H 1S -0.05992 0.12294 -0.07218 -0.00003 0.26773 62 2S -0.01152 0.03386 -0.08280 -0.00002 0.21788 63 6 H 1S -0.05970 0.12411 0.27099 0.00001 -0.06517 64 2S -0.01231 0.03559 0.21706 0.00001 -0.07286 65 7 O 1S 0.00354 -0.00182 0.01529 -0.02798 0.01501 66 2S -0.00656 0.00256 -0.03725 0.06679 -0.03598 67 2PX -0.02523 0.05125 -0.05310 0.12288 -0.05822 68 2PY 0.05976 -0.13130 0.13978 -0.22001 0.14521 69 2PZ -0.02422 0.04939 -0.05326 0.13956 -0.05260 70 3S 0.02100 -0.05475 -0.02476 0.03596 -0.02664 71 3PX -0.00730 0.01639 -0.03747 0.04930 -0.01732 72 3PY 0.03520 -0.07588 0.08012 -0.13393 0.08591 73 3PZ -0.00646 0.01411 -0.01330 0.06659 -0.03963 74 4XX 0.00031 -0.00092 0.00985 -0.00249 0.00035 75 4YY -0.00712 0.01322 -0.01103 0.01051 -0.01121 76 4ZZ 0.00033 -0.00064 -0.00019 -0.00109 0.00932 77 4XY 0.00305 -0.00577 -0.00350 -0.00263 0.00410 78 4XZ -0.00130 0.00169 0.00298 0.00092 0.00265 79 4YZ 0.00368 -0.00687 0.00514 -0.00522 -0.00220 80 8 H 1S -0.00735 0.02026 -0.01911 0.03007 -0.01935 81 2S -0.00777 0.02246 -0.02697 0.03202 -0.03246 82 9 H 1S -0.00735 0.02026 -0.01911 -0.03006 -0.01936 83 2S -0.00777 0.02246 -0.02697 -0.03201 -0.03247 84 10 C 1S -0.00034 0.00067 -0.00090 -0.00109 0.00032 85 2S 0.00050 -0.00179 0.00227 0.00156 0.00002 86 2PX 0.00186 -0.00524 0.00497 0.00104 0.00697 87 2PY -0.00057 0.00022 -0.00063 -0.00156 0.00135 88 2PZ -0.00048 0.00168 -0.00143 0.00200 -0.00802 89 3S 0.00279 -0.00557 0.01185 0.00972 -0.00517 90 3PX 0.00243 -0.00495 0.00675 0.00404 0.00460 91 3PY -0.00033 0.00172 -0.00378 -0.00215 0.00089 92 3PZ -0.00011 0.00178 -0.00028 0.00347 -0.00843 93 4XX -0.00014 0.00027 -0.00038 -0.00024 -0.00017 94 4YY -0.00001 -0.00017 0.00030 -0.00004 0.00010 95 4ZZ -0.00005 0.00000 0.00020 -0.00020 0.00011 96 4XY 0.00008 -0.00016 0.00013 -0.00006 0.00029 97 4XZ 0.00009 -0.00011 0.00023 0.00024 0.00014 98 4YZ -0.00010 0.00026 -0.00037 -0.00019 -0.00024 99 11 C 1S -0.00034 0.00067 -0.00090 0.00109 0.00032 100 2S 0.00050 -0.00179 0.00227 -0.00156 0.00003 101 2PX 0.00186 -0.00525 0.00497 -0.00104 0.00697 102 2PY 0.00057 -0.00021 0.00063 -0.00156 -0.00135 103 2PZ -0.00048 0.00168 -0.00143 -0.00200 -0.00801 104 3S 0.00279 -0.00557 0.01185 -0.00972 -0.00518 105 3PX 0.00243 -0.00496 0.00676 -0.00404 0.00459 106 3PY 0.00033 -0.00172 0.00379 -0.00215 -0.00088 107 3PZ -0.00011 0.00179 -0.00028 -0.00346 -0.00843 108 4XX -0.00014 0.00027 -0.00038 0.00024 -0.00017 109 4YY -0.00001 -0.00017 0.00030 0.00004 0.00010 110 4ZZ -0.00005 0.00000 0.00020 0.00020 0.00011 111 4XY -0.00008 0.00016 -0.00013 -0.00006 -0.00029 112 4XZ 0.00009 -0.00011 0.00023 -0.00024 0.00014 113 4YZ 0.00010 -0.00026 0.00037 -0.00019 0.00024 114 12 C 1S 0.00031 -0.00014 0.00106 -0.00029 -0.00089 115 2S 0.00016 0.00012 -0.00104 0.00035 0.00172 116 2PX -0.00230 0.00528 -0.00789 0.00361 -0.00117 117 2PY 0.00028 -0.00125 0.00129 0.00069 0.00103 118 2PZ 0.00028 -0.00036 0.00106 0.00186 0.00274 119 3S -0.00427 0.00569 -0.01577 0.00790 0.01037 120 3PX -0.00077 0.00091 -0.00103 -0.00267 -0.00060 121 3PY 0.00191 -0.00097 0.00453 0.00141 -0.00641 122 3PZ 0.00078 -0.00391 0.00865 -0.00228 0.00421 123 4XX 0.00004 0.00020 0.00021 -0.00035 -0.00101 124 4YY 0.00013 -0.00018 0.00006 0.00002 0.00037 125 4ZZ 0.00003 0.00009 -0.00010 0.00026 0.00014 126 4XY 0.00003 0.00003 -0.00012 -0.00017 0.00013 127 4XZ 0.00016 -0.00059 0.00040 -0.00029 0.00018 128 4YZ 0.00007 -0.00011 0.00005 -0.00002 -0.00016 129 13 C 1S -0.00065 0.00156 -0.00190 -0.00001 0.00281 130 2S 0.00137 -0.00373 0.00417 -0.00041 -0.00423 131 2PX 0.00329 -0.00907 0.00787 -0.00185 -0.01835 132 2PY 0.00005 0.00032 -0.00096 0.00005 -0.00433 133 2PZ 0.00042 -0.00083 0.00238 -0.00246 -0.00496 134 3S 0.00215 -0.00212 0.00324 0.00569 -0.01753 135 3PX 0.00092 -0.00275 0.00254 -0.00021 -0.00968 136 3PY 0.00061 -0.00100 0.00028 -0.00102 -0.00548 137 3PZ -0.00086 0.00004 -0.00164 -0.00025 0.00069 138 4XX -0.00002 -0.00013 -0.00008 -0.00010 -0.00011 139 4YY 0.00007 -0.00026 0.00029 0.00006 0.00016 140 4ZZ -0.00007 0.00031 -0.00045 0.00004 0.00025 141 4XY 0.00013 -0.00022 0.00040 -0.00023 -0.00062 142 4XZ 0.00031 -0.00060 0.00058 -0.00013 -0.00055 143 4YZ -0.00004 0.00002 -0.00003 -0.00015 -0.00015 144 14 C 1S -0.00065 0.00156 -0.00190 0.00001 0.00281 145 2S 0.00137 -0.00373 0.00417 0.00041 -0.00423 146 2PX 0.00330 -0.00908 0.00788 0.00186 -0.01836 147 2PY -0.00005 -0.00032 0.00096 0.00005 0.00433 148 2PZ 0.00042 -0.00083 0.00238 0.00246 -0.00495 149 3S 0.00215 -0.00212 0.00324 -0.00568 -0.01753 150 3PX 0.00092 -0.00275 0.00254 0.00022 -0.00969 151 3PY -0.00061 0.00100 -0.00028 -0.00103 0.00548 152 3PZ -0.00086 0.00004 -0.00164 0.00025 0.00069 153 4XX -0.00002 -0.00013 -0.00008 0.00010 -0.00011 154 4YY 0.00007 -0.00026 0.00029 -0.00006 0.00016 155 4ZZ -0.00007 0.00031 -0.00045 -0.00004 0.00026 156 4XY -0.00013 0.00022 -0.00040 -0.00023 0.00062 157 4XZ 0.00031 -0.00060 0.00058 0.00013 -0.00055 158 4YZ 0.00004 -0.00002 0.00003 -0.00015 0.00015 159 15 C 1S 0.00031 -0.00014 0.00106 0.00028 -0.00089 160 2S 0.00016 0.00012 -0.00104 -0.00035 0.00172 161 2PX -0.00230 0.00528 -0.00789 -0.00361 -0.00116 162 2PY -0.00028 0.00125 -0.00129 0.00069 -0.00103 163 2PZ 0.00028 -0.00036 0.00106 -0.00187 0.00274 164 3S -0.00427 0.00569 -0.01578 -0.00789 0.01037 165 3PX -0.00077 0.00092 -0.00104 0.00267 -0.00059 166 3PY -0.00191 0.00097 -0.00453 0.00141 0.00641 167 3PZ 0.00078 -0.00391 0.00864 0.00227 0.00421 168 4XX 0.00004 0.00020 0.00021 0.00035 -0.00101 169 4YY 0.00013 -0.00018 0.00006 -0.00002 0.00037 170 4ZZ 0.00003 0.00009 -0.00010 -0.00026 0.00014 171 4XY -0.00003 -0.00003 0.00012 -0.00017 -0.00013 172 4XZ 0.00016 -0.00059 0.00040 0.00029 0.00018 173 4YZ -0.00007 0.00011 -0.00005 -0.00002 0.00016 174 16 H 1S 0.00003 0.00031 -0.00016 -0.00010 0.00118 175 2S -0.00020 0.00145 -0.00178 -0.00108 0.00027 176 17 H 1S 0.00003 0.00031 -0.00016 0.00010 0.00118 177 2S -0.00020 0.00145 -0.00178 0.00108 0.00026 178 18 H 1S 0.00003 -0.00057 -0.00048 0.00079 0.00234 179 2S 0.00032 -0.00251 0.00236 -0.00311 0.00527 180 19 H 1S 0.00189 -0.00551 0.00398 -0.00120 -0.00843 181 2S 0.00272 -0.00661 0.00748 -0.00477 -0.00090 182 20 H 1S 0.00189 -0.00552 0.00399 0.00120 -0.00844 183 2S 0.00272 -0.00662 0.00748 0.00478 -0.00091 184 21 H 1S 0.00003 -0.00057 -0.00048 -0.00079 0.00233 185 2S 0.00032 -0.00250 0.00236 0.00310 0.00527 186 22 H 1S -0.00112 0.00309 -0.00253 -0.00028 0.00309 187 2S -0.00173 0.00488 -0.00484 -0.00067 0.00346 188 23 H 1S -0.00112 0.00310 -0.00253 0.00028 0.00309 189 2S -0.00173 0.00488 -0.00484 0.00067 0.00346 36 37 38 39 40 36 3S 0.23348 37 3PX 0.01604 0.06207 38 3PY 0.00000 0.00000 0.02606 39 3PZ 0.02154 -0.00376 0.00000 0.06494 40 4XX 0.00239 0.00681 0.00000 0.00048 0.00335 41 4YY -0.01289 -0.00513 0.00000 -0.00463 -0.00124 42 4ZZ 0.00319 -0.00205 0.00000 0.00357 -0.00166 43 4XY 0.00000 0.00000 -0.00389 0.00000 0.00000 44 4XZ -0.00369 -0.00377 0.00000 -0.00400 -0.00011 45 4YZ 0.00000 0.00000 -0.00288 0.00000 0.00000 46 4 C 1S 0.00988 -0.00779 0.00139 -0.00626 -0.00162 47 2S -0.01226 0.01317 -0.00393 0.01180 0.00400 48 2PX -0.04432 0.01209 -0.03155 0.03283 0.00735 49 2PY 0.05397 -0.01700 -0.00043 -0.02178 0.00167 50 2PZ -0.00799 0.01128 -0.03294 -0.00871 0.00611 51 3S 0.00698 0.01714 0.00616 0.00195 0.00033 52 3PX -0.01789 0.00544 -0.00959 0.02106 0.00299 53 3PY 0.02482 -0.00312 -0.00233 -0.01080 -0.00046 54 3PZ 0.01202 0.00396 -0.00879 -0.01370 0.00146 55 4XX -0.00051 0.00005 -0.00246 -0.00320 -0.00073 56 4YY -0.00181 0.00128 0.00101 0.00132 -0.00007 57 4ZZ 0.00211 -0.00287 0.00153 0.00096 0.00058 58 4XY -0.00259 0.00192 -0.00349 0.00042 -0.00016 59 4XZ -0.00120 -0.00119 -0.00166 0.00022 0.00060 60 4YZ -0.00486 0.00177 -0.00356 0.00290 0.00033 61 5 H 1S 0.11640 -0.01756 -0.00001 0.08283 -0.01122 62 2S 0.04307 -0.01695 -0.00001 0.04488 -0.01622 63 6 H 1S 0.10660 0.09600 0.00000 -0.00314 0.02033 64 2S 0.03009 0.06961 0.00000 0.00211 0.02111 65 7 O 1S 0.02924 -0.00403 -0.00234 -0.00333 0.00248 66 2S -0.07390 0.00862 0.00203 0.00686 -0.00540 67 2PX 0.03114 0.00240 0.04749 -0.06072 -0.02408 68 2PY -0.09641 0.05244 -0.01938 0.05203 -0.00102 69 2PZ 0.02270 -0.04080 0.06255 0.03542 0.00833 70 3S -0.13767 0.01708 -0.00630 0.01928 -0.00775 71 3PX 0.00867 0.00190 0.02068 -0.03708 -0.01644 72 3PY -0.05609 0.03030 -0.00873 0.03010 -0.00130 73 3PZ -0.00201 -0.02003 0.03358 0.02611 0.00819 74 4XX 0.00126 0.00281 -0.00039 0.00025 0.00094 75 4YY 0.00987 -0.00395 0.00112 -0.00408 -0.00003 76 4ZZ 0.00118 -0.00003 0.00049 0.00221 -0.00048 77 4XY -0.00446 -0.00214 -0.00188 0.00299 0.00079 78 4XZ 0.00061 0.00170 -0.00024 0.00123 0.00011 79 4YZ -0.00523 0.00267 -0.00254 -0.00263 -0.00001 80 8 H 1S 0.02999 -0.01339 0.02408 -0.00664 -0.00057 81 2S 0.02717 -0.01775 0.02345 -0.00697 0.00090 82 9 H 1S 0.02999 -0.01339 -0.02407 -0.00664 -0.00057 83 2S 0.02717 -0.01775 -0.02345 -0.00698 0.00090 84 10 C 1S 0.00165 0.00030 -0.00028 -0.00027 -0.00023 85 2S -0.00332 -0.00055 0.00057 0.00123 0.00067 86 2PX -0.01102 0.00236 0.00142 0.01152 0.00161 87 2PY 0.00436 -0.00139 -0.00024 0.00191 -0.00012 88 2PZ 0.00234 -0.00356 -0.00167 -0.00961 -0.00048 89 3S -0.00761 0.00088 -0.00171 0.00308 0.00205 90 3PX -0.00954 0.00233 0.00068 0.01175 0.00194 91 3PY 0.00351 -0.00134 -0.00043 0.00035 -0.00033 92 3PZ 0.00352 -0.00239 -0.00243 -0.00791 -0.00015 93 4XX 0.00052 0.00000 0.00004 -0.00057 -0.00011 94 4YY -0.00031 -0.00001 0.00003 0.00029 0.00009 95 4ZZ -0.00026 0.00012 -0.00003 0.00067 0.00013 96 4XY -0.00027 0.00013 -0.00009 0.00046 0.00005 97 4XZ -0.00021 0.00011 0.00008 0.00021 0.00004 98 4YZ 0.00048 -0.00014 0.00011 -0.00057 -0.00009 99 11 C 1S 0.00165 0.00030 0.00028 -0.00027 -0.00023 100 2S -0.00332 -0.00055 -0.00057 0.00123 0.00067 101 2PX -0.01102 0.00236 -0.00142 0.01152 0.00161 102 2PY -0.00436 0.00139 -0.00024 -0.00190 0.00012 103 2PZ 0.00234 -0.00356 0.00168 -0.00960 -0.00048 104 3S -0.00761 0.00088 0.00171 0.00308 0.00206 105 3PX -0.00954 0.00233 -0.00068 0.01175 0.00194 106 3PY -0.00351 0.00135 -0.00043 -0.00035 0.00033 107 3PZ 0.00352 -0.00239 0.00243 -0.00791 -0.00015 108 4XX 0.00052 0.00000 -0.00004 -0.00058 -0.00011 109 4YY -0.00031 -0.00001 -0.00003 0.00029 0.00009 110 4ZZ -0.00026 0.00012 0.00003 0.00067 0.00013 111 4XY 0.00027 -0.00013 -0.00009 -0.00046 -0.00005 112 4XZ -0.00021 0.00011 -0.00008 0.00021 0.00004 113 4YZ -0.00048 0.00014 0.00011 0.00057 0.00009 114 12 C 1S -0.00167 0.00070 0.00010 -0.00012 0.00047 115 2S -0.00067 0.00067 -0.00080 0.00145 -0.00028 116 2PX 0.01412 -0.00054 -0.00120 -0.01063 -0.00260 117 2PY -0.00313 -0.00011 -0.00034 0.00170 0.00032 118 2PZ -0.00049 0.00161 0.00116 0.00866 0.00062 119 3S 0.00771 -0.00049 -0.00407 -0.00685 -0.00398 120 3PX 0.00509 0.00104 -0.00170 -0.00525 -0.00129 121 3PY -0.00322 -0.00155 0.00207 0.00533 0.00246 122 3PZ -0.00671 0.00251 0.00056 0.00993 0.00156 123 4XX 0.00069 -0.00030 0.00023 -0.00113 0.00006 124 4YY -0.00020 -0.00012 -0.00008 0.00041 0.00002 125 4ZZ -0.00002 0.00010 0.00009 0.00050 0.00004 126 4XY -0.00016 -0.00009 -0.00006 0.00026 0.00004 127 4XZ -0.00113 0.00002 -0.00014 0.00024 0.00007 128 4YZ -0.00013 0.00009 0.00004 -0.00028 -0.00002 129 13 C 1S 0.00356 0.00052 -0.00086 0.00189 -0.00032 130 2S -0.00478 -0.00167 0.00110 -0.00207 0.00025 131 2PX -0.01119 -0.00734 0.00496 -0.01920 0.00064 132 2PY -0.00019 0.00476 0.00071 -0.00415 -0.00036 133 2PZ -0.00241 0.00093 -0.00067 -0.00710 0.00001 134 3S -0.00295 -0.00222 0.00041 -0.00572 0.00118 135 3PX -0.00371 -0.00299 -0.00015 -0.01056 -0.00002 136 3PY -0.00052 0.00296 -0.00061 -0.00459 -0.00041 137 3PZ 0.00040 0.00092 -0.00171 -0.00645 -0.00132 138 4XX -0.00031 -0.00023 0.00022 -0.00043 0.00004 139 4YY -0.00036 -0.00004 0.00001 0.00024 0.00000 140 4ZZ 0.00070 0.00033 -0.00011 -0.00014 -0.00014 141 4XY -0.00022 0.00002 0.00030 -0.00032 0.00004 142 4XZ -0.00098 -0.00021 0.00028 -0.00007 0.00008 143 4YZ 0.00006 0.00001 -0.00003 -0.00027 -0.00003 144 14 C 1S 0.00356 0.00052 0.00086 0.00190 -0.00032 145 2S -0.00478 -0.00167 -0.00110 -0.00207 0.00025 146 2PX -0.01119 -0.00735 -0.00496 -0.01921 0.00064 147 2PY 0.00019 -0.00476 0.00071 0.00415 0.00036 148 2PZ -0.00240 0.00093 0.00067 -0.00710 0.00001 149 3S -0.00295 -0.00221 -0.00041 -0.00572 0.00118 150 3PX -0.00371 -0.00300 0.00015 -0.01057 -0.00002 151 3PY 0.00052 -0.00296 -0.00061 0.00459 0.00041 152 3PZ 0.00040 0.00092 0.00171 -0.00645 -0.00132 153 4XX -0.00031 -0.00023 -0.00022 -0.00043 0.00004 154 4YY -0.00036 -0.00004 -0.00001 0.00024 0.00000 155 4ZZ 0.00070 0.00033 0.00011 -0.00014 -0.00014 156 4XY 0.00022 -0.00002 0.00030 0.00032 -0.00004 157 4XZ -0.00098 -0.00021 -0.00028 -0.00007 0.00008 158 4YZ -0.00006 -0.00001 -0.00003 0.00027 0.00003 159 15 C 1S -0.00167 0.00070 -0.00010 -0.00013 0.00047 160 2S -0.00067 0.00067 0.00080 0.00145 -0.00028 161 2PX 0.01412 -0.00054 0.00121 -0.01062 -0.00260 162 2PY 0.00313 0.00011 -0.00034 -0.00169 -0.00032 163 2PZ -0.00049 0.00161 -0.00116 0.00866 0.00062 164 3S 0.00771 -0.00049 0.00407 -0.00685 -0.00398 165 3PX 0.00509 0.00104 0.00170 -0.00525 -0.00129 166 3PY 0.00322 0.00155 0.00207 -0.00533 -0.00246 167 3PZ -0.00671 0.00250 -0.00056 0.00992 0.00156 168 4XX 0.00069 -0.00030 -0.00023 -0.00113 0.00006 169 4YY -0.00020 -0.00012 0.00008 0.00041 0.00002 170 4ZZ -0.00002 0.00010 -0.00009 0.00051 0.00004 171 4XY 0.00016 0.00009 -0.00006 -0.00026 -0.00004 172 4XZ -0.00113 0.00002 0.00014 0.00024 0.00007 173 4YZ 0.00013 -0.00009 0.00004 0.00028 0.00002 174 16 H 1S 0.00015 0.00114 0.00068 0.00049 -0.00009 175 2S 0.00175 0.00061 0.00008 0.00033 -0.00015 176 17 H 1S 0.00015 0.00114 -0.00068 0.00049 -0.00009 177 2S 0.00175 0.00061 -0.00008 0.00033 -0.00015 178 18 H 1S -0.00148 -0.00031 -0.00086 0.00146 -0.00016 179 2S -0.00319 0.00077 -0.00099 0.00220 -0.00032 180 19 H 1S -0.00814 -0.00444 0.00432 -0.00992 0.00060 181 2S -0.01073 -0.00291 0.00731 0.00070 0.00160 182 20 H 1S -0.00814 -0.00445 -0.00432 -0.00993 0.00060 183 2S -0.01073 -0.00291 -0.00731 0.00070 0.00160 184 21 H 1S -0.00148 -0.00031 0.00086 0.00146 -0.00016 185 2S -0.00318 0.00077 0.00099 0.00219 -0.00032 186 22 H 1S 0.00385 0.00343 -0.00247 0.00143 -0.00055 187 2S 0.00721 0.00266 -0.00303 -0.00121 -0.00102 188 23 H 1S 0.00385 0.00343 0.00247 0.00143 -0.00055 189 2S 0.00721 0.00266 0.00303 -0.00120 -0.00102 41 42 43 44 45 41 4YY 0.00343 42 4ZZ -0.00138 0.00350 43 4XY 0.00000 0.00000 0.00248 44 4XZ 0.00051 -0.00014 0.00000 0.00106 45 4YZ 0.00000 0.00000 0.00102 0.00000 0.00274 46 4 C 1S 0.00217 -0.00094 0.00103 -0.00005 0.00000 47 2S -0.00464 0.00176 -0.00239 0.00046 0.00012 48 2PX -0.00888 0.00479 -0.00015 0.00444 -0.00418 49 2PY -0.00517 0.00206 0.00067 -0.00026 0.00250 50 2PZ -0.00719 0.00340 -0.00422 0.00260 0.00145 51 3S -0.00421 0.00360 -0.00110 -0.00244 -0.00005 52 3PX -0.00355 0.00141 0.00345 0.00084 -0.00061 53 3PY -0.00211 0.00190 0.00190 -0.00049 0.00299 54 3PZ -0.00333 0.00199 0.00079 0.00027 0.00240 55 4XX -0.00023 0.00112 0.00018 0.00044 -0.00103 56 4YY 0.00019 -0.00013 0.00054 -0.00030 0.00052 57 4ZZ 0.00040 -0.00110 -0.00069 0.00005 0.00028 58 4XY -0.00003 0.00034 0.00038 -0.00031 0.00013 59 4XZ -0.00024 -0.00016 -0.00063 0.00052 -0.00022 60 4YZ 0.00008 -0.00022 -0.00005 -0.00015 0.00040 61 5 H 1S -0.01262 0.02042 0.00000 -0.00575 0.00000 62 2S -0.00903 0.02417 0.00000 -0.00384 0.00000 63 6 H 1S -0.01191 -0.01176 0.00000 -0.00523 0.00000 64 2S -0.00689 -0.01530 0.00000 -0.00337 0.00000 65 7 O 1S -0.00616 0.00216 0.00391 -0.00149 0.00458 66 2S 0.01471 -0.00417 -0.00924 0.00368 -0.01106 67 2PX 0.01377 0.00781 0.00690 -0.00134 -0.01703 68 2PY 0.00404 -0.00109 0.01985 -0.01286 0.02151 69 2PZ 0.01598 -0.02693 -0.01748 -0.00133 0.00889 70 3S 0.02322 -0.00867 -0.00750 0.00155 -0.00926 71 3PX 0.00749 0.00798 0.00701 -0.00098 -0.01035 72 3PY 0.00300 -0.00068 0.01253 -0.00776 0.01360 73 3PZ 0.00990 -0.01913 -0.01068 -0.00087 0.00787 74 4XX -0.00058 -0.00039 -0.00007 -0.00035 0.00048 75 4YY -0.00031 0.00013 -0.00082 0.00098 -0.00102 76 4ZZ -0.00042 0.00081 0.00036 -0.00037 0.00007 77 4XY -0.00053 -0.00004 -0.00053 0.00029 0.00044 78 4XZ -0.00031 0.00027 -0.00012 -0.00004 -0.00032 79 4YZ -0.00060 0.00083 0.00065 0.00020 -0.00038 80 8 H 1S 0.00081 -0.00195 -0.00002 -0.00069 0.00063 81 2S 0.00129 -0.00371 0.00015 0.00044 0.00038 82 9 H 1S 0.00081 -0.00195 0.00002 -0.00069 -0.00063 83 2S 0.00129 -0.00371 -0.00015 0.00044 -0.00038 84 10 C 1S 0.00009 0.00007 -0.00002 -0.00003 0.00011 85 2S -0.00031 -0.00029 0.00031 0.00015 -0.00011 86 2PX -0.00023 -0.00126 -0.00120 0.00061 0.00132 87 2PY 0.00001 -0.00012 -0.00028 0.00025 0.00029 88 2PZ 0.00004 0.00031 0.00135 -0.00047 -0.00148 89 3S 0.00078 -0.00281 -0.00118 -0.00047 -0.00189 90 3PX 0.00019 -0.00202 -0.00160 0.00030 0.00040 91 3PY -0.00022 0.00042 -0.00109 0.00028 0.00074 92 3PZ 0.00015 -0.00013 0.00084 -0.00039 -0.00206 93 4XX 0.00000 0.00010 -0.00006 -0.00001 0.00009 94 4YY -0.00002 -0.00006 0.00004 0.00002 -0.00003 95 4ZZ 0.00000 -0.00011 0.00008 0.00001 -0.00004 96 4XY -0.00001 -0.00004 0.00006 0.00002 -0.00007 97 4XZ -0.00002 -0.00001 -0.00002 0.00000 -0.00001 98 4YZ -0.00002 0.00009 -0.00010 -0.00001 0.00012 99 11 C 1S 0.00009 0.00007 0.00002 -0.00003 -0.00011 100 2S -0.00031 -0.00029 -0.00031 0.00015 0.00011 101 2PX -0.00023 -0.00126 0.00120 0.00061 -0.00132 102 2PY -0.00001 0.00012 -0.00028 -0.00025 0.00029 103 2PZ 0.00004 0.00031 -0.00135 -0.00047 0.00148 104 3S 0.00078 -0.00281 0.00118 -0.00047 0.00189 105 3PX 0.00019 -0.00202 0.00160 0.00030 -0.00040 106 3PY 0.00022 -0.00042 -0.00109 -0.00028 0.00074 107 3PZ 0.00015 -0.00013 -0.00084 -0.00039 0.00206 108 4XX 0.00000 0.00010 0.00006 -0.00001 -0.00009 109 4YY -0.00002 -0.00006 -0.00004 0.00002 0.00003 110 4ZZ 0.00000 -0.00011 -0.00008 0.00001 0.00004 111 4XY 0.00001 0.00004 0.00006 -0.00002 -0.00007 112 4XZ -0.00002 -0.00001 0.00002 0.00000 0.00001 113 4YZ 0.00002 -0.00009 -0.00010 0.00001 0.00012 114 12 C 1S 0.00012 -0.00034 -0.00036 -0.00011 0.00050 115 2S -0.00014 0.00032 0.00075 0.00015 -0.00078 116 2PX -0.00035 0.00261 0.00234 0.00004 -0.00242 117 2PY 0.00024 -0.00051 -0.00068 0.00017 0.00047 118 2PZ 0.00036 -0.00089 -0.00100 -0.00005 0.00097 119 3S -0.00117 0.00503 0.00072 0.00050 -0.00383 120 3PX 0.00005 0.00109 0.00172 -0.00014 -0.00104 121 3PY 0.00051 -0.00301 -0.00061 0.00009 0.00135 122 3PZ 0.00071 -0.00210 -0.00133 -0.00040 0.00158 123 4XX -0.00003 -0.00004 -0.00015 -0.00006 0.00024 124 4YY 0.00002 -0.00004 0.00002 0.00002 -0.00002 125 4ZZ 0.00002 -0.00008 0.00010 0.00001 -0.00009 126 4XY -0.00003 -0.00001 0.00001 0.00002 0.00000 127 4XZ -0.00003 0.00000 0.00004 0.00002 -0.00009 128 4YZ 0.00000 0.00001 -0.00001 0.00000 0.00001 129 13 C 1S -0.00006 0.00026 -0.00015 0.00001 0.00031 130 2S 0.00027 -0.00041 0.00060 -0.00004 -0.00062 131 2PX 0.00022 -0.00038 0.00009 -0.00050 -0.00027 132 2PY -0.00026 0.00035 0.00014 -0.00006 -0.00019 133 2PZ -0.00012 -0.00005 -0.00029 0.00002 0.00046 134 3S -0.00037 -0.00068 0.00087 0.00079 -0.00189 135 3PX -0.00006 0.00030 0.00002 -0.00006 -0.00109 136 3PY -0.00036 0.00068 0.00095 0.00017 -0.00100 137 3PZ -0.00059 0.00184 0.00079 0.00014 -0.00153 138 4XX -0.00002 -0.00001 -0.00006 -0.00002 0.00005 139 4YY 0.00003 -0.00002 -0.00003 0.00000 0.00004 140 4ZZ -0.00003 0.00014 0.00009 0.00001 -0.00005 141 4XY 0.00002 -0.00004 0.00003 0.00000 -0.00003 142 4XZ 0.00005 -0.00010 -0.00001 -0.00002 0.00002 143 4YZ -0.00002 0.00005 -0.00001 0.00000 0.00002 144 14 C 1S -0.00006 0.00026 0.00015 0.00001 -0.00031 145 2S 0.00027 -0.00041 -0.00060 -0.00004 0.00062 146 2PX 0.00022 -0.00038 -0.00009 -0.00050 0.00027 147 2PY 0.00026 -0.00035 0.00014 0.00006 -0.00019 148 2PZ -0.00012 -0.00005 0.00029 0.00002 -0.00046 149 3S -0.00037 -0.00068 -0.00087 0.00079 0.00190 150 3PX -0.00006 0.00030 -0.00002 -0.00006 0.00109 151 3PY 0.00036 -0.00068 0.00096 -0.00017 -0.00100 152 3PZ -0.00059 0.00184 -0.00079 0.00014 0.00153 153 4XX -0.00002 -0.00001 0.00006 -0.00002 -0.00005 154 4YY 0.00003 -0.00002 0.00003 0.00000 -0.00004 155 4ZZ -0.00003 0.00014 -0.00009 0.00001 0.00005 156 4XY -0.00002 0.00004 0.00003 0.00000 -0.00003 157 4XZ 0.00005 -0.00010 0.00001 -0.00002 -0.00002 158 4YZ 0.00002 -0.00005 -0.00001 0.00000 0.00002 159 15 C 1S 0.00012 -0.00034 0.00036 -0.00011 -0.00050 160 2S -0.00014 0.00032 -0.00075 0.00015 0.00078 161 2PX -0.00035 0.00261 -0.00234 0.00004 0.00242 162 2PY -0.00024 0.00051 -0.00068 -0.00017 0.00047 163 2PZ 0.00036 -0.00089 0.00100 -0.00005 -0.00097 164 3S -0.00117 0.00503 -0.00072 0.00050 0.00382 165 3PX 0.00005 0.00109 -0.00172 -0.00014 0.00104 166 3PY -0.00051 0.00301 -0.00061 -0.00009 0.00135 167 3PZ 0.00071 -0.00210 0.00133 -0.00040 -0.00158 168 4XX -0.00003 -0.00004 0.00015 -0.00006 -0.00024 169 4YY 0.00002 -0.00004 -0.00002 0.00002 0.00002 170 4ZZ 0.00002 -0.00008 -0.00010 0.00001 0.00009 171 4XY 0.00003 0.00001 0.00001 -0.00002 0.00000 172 4XZ -0.00003 0.00000 -0.00004 0.00002 0.00009 173 4YZ 0.00000 -0.00001 -0.00001 0.00000 0.00001 174 16 H 1S -0.00008 0.00028 -0.00019 -0.00003 0.00017 175 2S -0.00005 0.00025 -0.00050 -0.00001 0.00019 176 17 H 1S -0.00008 0.00028 0.00019 -0.00003 -0.00017 177 2S -0.00005 0.00025 0.00050 -0.00001 -0.00019 178 18 H 1S 0.00008 0.00006 0.00003 0.00021 -0.00029 179 2S 0.00021 0.00022 -0.00011 0.00000 0.00036 180 19 H 1S 0.00010 -0.00050 -0.00027 -0.00039 0.00016 181 2S 0.00112 -0.00256 -0.00147 -0.00094 0.00313 182 20 H 1S 0.00010 -0.00050 0.00027 -0.00039 -0.00016 183 2S 0.00113 -0.00257 0.00147 -0.00094 -0.00313 184 21 H 1S 0.00008 0.00006 -0.00003 0.00021 0.00029 185 2S 0.00021 0.00022 0.00011 0.00000 -0.00036 186 22 H 1S -0.00024 0.00047 0.00017 0.00018 -0.00005 187 2S -0.00017 0.00083 -0.00030 0.00000 0.00052 188 23 H 1S -0.00024 0.00047 -0.00017 0.00018 0.00005 189 2S -0.00017 0.00083 0.00030 0.00000 -0.00052 46 47 48 49 50 46 4 C 1S 2.05255 47 2S -0.06338 0.33288 48 2PX 0.01203 -0.01860 0.34621 49 2PY 0.00506 -0.01302 -0.04015 0.43071 50 2PZ 0.01511 -0.02722 -0.02221 -0.02890 0.37881 51 3S -0.17203 0.27248 -0.09835 0.01738 -0.02415 52 3PX 0.01878 -0.03665 0.16687 -0.03758 -0.08370 53 3PY 0.00736 -0.00397 -0.05102 0.12294 0.01635 54 3PZ 0.00255 -0.01649 -0.08141 0.01243 0.16318 55 4XX -0.01177 -0.01308 0.01163 0.00700 0.01131 56 4YY -0.01725 -0.00101 -0.00623 -0.01259 -0.00557 57 4ZZ -0.01571 -0.00410 -0.00184 0.01309 -0.00482 58 4XY 0.00020 -0.00034 0.00113 0.00496 0.01133 59 4XZ -0.00345 0.00809 0.01110 0.00916 0.00702 60 4YZ 0.00424 -0.00860 0.01262 -0.00769 0.00937 61 5 H 1S -0.00289 0.00540 0.00914 0.00537 0.00812 62 2S -0.00328 0.00505 -0.00171 0.00261 0.02480 63 6 H 1S -0.00481 0.01265 0.02127 0.00579 0.01276 64 2S -0.00436 0.01311 0.04174 -0.00554 0.00479 65 7 O 1S 0.00537 -0.00687 -0.02953 -0.00841 -0.02341 66 2S -0.00988 0.01073 0.06594 0.03094 0.05397 67 2PX 0.05683 -0.12361 -0.16693 -0.10823 -0.18562 68 2PY 0.02547 -0.05164 -0.09859 -0.03170 -0.06629 69 2PZ 0.03477 -0.06520 -0.17837 -0.07010 -0.08075 70 3S 0.01404 -0.02641 0.06861 -0.04044 0.04687 71 3PX 0.02658 -0.06226 -0.10154 -0.05727 -0.09089 72 3PY 0.01945 -0.03878 -0.07144 -0.02505 -0.04913 73 3PZ 0.01512 -0.02656 -0.08267 -0.04074 -0.05661 74 4XX -0.00369 0.00605 -0.00641 0.00823 0.00739 75 4YY -0.00126 0.00120 0.00465 0.00050 0.00290 76 4ZZ -0.00089 0.00060 0.00146 0.00487 -0.00969 77 4XY -0.00464 0.00906 0.00889 -0.00340 0.01056 78 4XZ -0.00489 0.00780 0.00431 0.00310 -0.00128 79 4YZ -0.00277 0.00504 0.01130 -0.00410 0.00184 80 8 H 1S -0.06820 0.13566 -0.06570 0.16923 -0.19076 81 2S -0.02048 0.04650 -0.03957 0.13846 -0.15449 82 9 H 1S 0.01654 -0.03648 0.00832 0.04030 0.00081 83 2S 0.02040 -0.04063 0.02370 0.06419 0.00813 84 10 C 1S -0.00069 0.00058 -0.00297 -0.00009 0.00128 85 2S 0.00137 -0.00173 0.00820 -0.00136 -0.00391 86 2PX 0.01089 -0.02272 0.07780 -0.01162 -0.05906 87 2PY 0.00262 -0.00401 0.01576 -0.00430 -0.01022 88 2PZ -0.00738 0.01701 -0.05629 0.01176 0.04328 89 3S 0.00207 0.00405 0.03490 -0.00095 -0.02182 90 3PX 0.00807 -0.01432 0.07598 -0.01105 -0.05767 91 3PY 0.00240 -0.00315 0.02113 0.00159 -0.01044 92 3PZ -0.00513 0.01321 -0.03844 0.01328 0.03310 93 4XX -0.00017 0.00011 -0.00104 0.00105 0.00011 94 4YY -0.00007 0.00011 0.00086 -0.00089 -0.00024 95 4ZZ -0.00009 0.00012 0.00078 -0.00044 -0.00055 96 4XY 0.00015 -0.00040 0.00033 -0.00083 0.00062 97 4XZ 0.00014 -0.00022 0.00094 0.00027 -0.00048 98 4YZ -0.00012 0.00031 -0.00042 0.00109 -0.00030 99 11 C 1S -0.00178 0.00265 -0.00503 0.00170 0.00224 100 2S 0.00269 -0.00452 0.01912 -0.00504 -0.00609 101 2PX 0.00919 -0.02100 0.03137 -0.01828 -0.00583 102 2PY -0.00007 -0.00007 -0.00231 0.00155 0.00214 103 2PZ -0.00379 0.01060 -0.00562 0.01159 -0.00874 104 3S 0.00660 -0.01527 -0.01132 -0.00913 -0.00465 105 3PX 0.00950 -0.02241 0.02167 -0.01859 -0.01003 106 3PY 0.00149 -0.00030 0.01371 -0.00229 -0.00720 107 3PZ -0.00354 0.00661 -0.02091 0.01558 0.00056 108 4XX -0.00071 0.00088 -0.00527 0.00107 0.00439 109 4YY 0.00004 -0.00016 0.00263 -0.00085 -0.00130 110 4ZZ -0.00029 0.00024 0.00291 -0.00015 -0.00243 111 4XY -0.00017 0.00053 -0.00297 0.00044 0.00268 112 4XZ 0.00039 -0.00088 0.00048 -0.00018 0.00039 113 4YZ 0.00066 -0.00094 0.00435 -0.00114 -0.00363 114 12 C 1S -0.00195 0.00085 0.00438 0.00057 -0.00771 115 2S 0.00260 -0.01172 -0.00254 -0.00518 0.01090 116 2PX -0.00844 0.01025 -0.10007 0.02519 0.08812 117 2PY 0.00428 -0.00287 0.03474 -0.01767 -0.02312 118 2PZ 0.00245 -0.00673 0.05651 -0.00962 -0.05947 119 3S 0.00479 0.00189 -0.00880 0.00295 0.03434 120 3PX 0.00167 -0.00231 -0.06592 0.01541 0.06242 121 3PY 0.00191 -0.00686 0.01521 -0.00271 -0.01960 122 3PZ 0.00396 -0.00722 0.05403 -0.01962 -0.05024 123 4XX -0.00149 0.00264 -0.00496 0.00346 0.00291 124 4YY 0.00012 -0.00134 0.00229 -0.00230 -0.00079 125 4ZZ -0.00031 -0.00051 0.00005 0.00012 -0.00138 126 4XY 0.00016 -0.00064 0.00256 0.00041 -0.00185 127 4XZ 0.00082 -0.00233 0.00541 -0.00262 -0.00200 128 4YZ -0.00007 0.00042 -0.00117 -0.00042 0.00099 129 13 C 1S -0.00160 0.00232 -0.00601 0.00138 0.00522 130 2S 0.00237 -0.00724 0.01600 -0.00410 -0.01807 131 2PX 0.00275 -0.00838 0.01449 -0.00285 -0.01389 132 2PY -0.00037 -0.00112 -0.00147 0.00184 -0.00170 133 2PZ -0.00219 0.01167 -0.01969 0.00129 0.01865 134 3S 0.00255 -0.00749 0.01137 0.00174 -0.00090 135 3PX 0.00447 -0.00430 0.01166 -0.00524 0.00415 136 3PY -0.00152 -0.00069 0.00822 0.00237 -0.00976 137 3PZ -0.00310 0.00600 -0.00175 -0.00097 0.00681 138 4XX -0.00041 0.00046 0.00106 0.00006 -0.00134 139 4YY 0.00002 -0.00044 0.00241 -0.00090 -0.00246 140 4ZZ -0.00071 0.00039 -0.00460 0.00118 0.00367 141 4XY 0.00011 -0.00043 0.00026 0.00006 -0.00017 142 4XZ 0.00080 -0.00161 0.00571 -0.00109 -0.00603 143 4YZ -0.00005 0.00026 -0.00064 0.00024 0.00063 144 14 C 1S -0.00135 0.00251 -0.00749 0.00026 0.00676 145 2S 0.00331 -0.00446 0.01643 -0.00225 -0.01384 146 2PX 0.00010 -0.00034 -0.00554 0.00294 0.00340 147 2PY 0.00131 -0.00182 0.00836 -0.00296 -0.00671 148 2PZ -0.00447 0.00621 -0.02316 -0.00042 0.01780 149 3S 0.00485 -0.00903 0.04190 0.00883 -0.03611 150 3PX -0.00199 0.00102 -0.01623 0.00247 0.00601 151 3PY -0.00085 0.00100 0.00751 -0.00146 -0.01048 152 3PZ -0.00127 0.00195 -0.01812 -0.00012 0.01474 153 4XX -0.00017 0.00043 -0.00142 -0.00011 0.00136 154 4YY 0.00005 -0.00014 0.00112 -0.00098 -0.00090 155 4ZZ 0.00010 -0.00004 -0.00045 0.00111 0.00048 156 4XY -0.00010 -0.00003 0.00026 -0.00047 -0.00017 157 4XZ 0.00018 -0.00024 0.00165 -0.00062 -0.00135 158 4YZ 0.00019 0.00007 0.00050 -0.00021 -0.00023 159 15 C 1S -0.00096 0.00309 -0.00602 -0.00166 0.00542 160 2S 0.00324 -0.00397 0.01970 0.00257 -0.01607 161 2PX 0.00345 -0.00801 0.00551 0.02186 -0.01141 162 2PY 0.00441 -0.00650 0.00668 0.01611 -0.00645 163 2PZ -0.00066 0.00422 -0.00167 -0.01217 0.00572 164 3S -0.00040 -0.00631 -0.01556 0.00888 0.00403 165 3PX 0.00317 -0.00580 0.01644 0.01834 -0.02240 166 3PY -0.00096 -0.00158 -0.02124 0.00078 0.01483 167 3PZ -0.00133 0.00434 -0.00019 -0.01980 -0.00082 168 4XX -0.00050 0.00121 -0.00642 0.00218 0.00550 169 4YY -0.00011 0.00040 0.00097 -0.00126 -0.00060 170 4ZZ 0.00057 -0.00090 0.00319 -0.00002 -0.00255 171 4XY -0.00027 0.00041 -0.00142 -0.00056 0.00099 172 4XZ 0.00026 -0.00034 0.00302 -0.00109 -0.00228 173 4YZ 0.00015 -0.00011 0.00055 0.00046 -0.00052 174 16 H 1S -0.00005 -0.00019 0.00044 0.00075 -0.00028 175 2S 0.00058 -0.00103 0.00607 0.00444 -0.00384 176 17 H 1S -0.00015 -0.00040 -0.00505 0.00069 0.00682 177 2S -0.00151 0.00010 -0.01516 0.00607 0.00957 178 18 H 1S 0.00408 -0.00634 0.01726 -0.01446 -0.00486 179 2S 0.00292 -0.00297 0.02258 -0.01732 -0.01181 180 19 H 1S 0.00211 -0.00547 0.01757 -0.00282 -0.01902 181 2S 0.00286 -0.00626 0.01628 -0.00553 -0.03805 182 20 H 1S 0.00009 0.00017 -0.00263 0.00031 0.00231 183 2S -0.00157 0.00337 0.00527 -0.00815 -0.00188 184 21 H 1S -0.00154 0.00205 0.00479 -0.00970 -0.00401 185 2S -0.00261 0.00376 -0.00464 -0.01642 0.00638 186 22 H 1S -0.00263 0.00805 -0.02530 0.00456 0.02413 187 2S -0.00281 0.01140 -0.05155 0.00981 0.05074 188 23 H 1S -0.00124 0.00104 -0.00605 0.00206 0.00385 189 2S -0.00321 0.00341 -0.02199 0.00740 0.01343 51 52 53 54 55 51 3S 0.30240 52 3PX -0.06511 0.10751 53 3PY -0.00109 -0.03277 0.05313 54 3PZ 0.01251 -0.06592 0.02381 0.09326 55 4XX -0.01110 0.00269 0.00135 0.00336 0.00284 56 4YY -0.00002 0.00019 -0.00171 -0.00081 -0.00081 57 4ZZ -0.00313 -0.00075 0.00225 -0.00239 -0.00057 58 4XY -0.00070 -0.00125 0.00301 0.00445 0.00068 59 4XZ 0.00261 0.00148 0.00128 -0.00019 0.00036 60 4YZ -0.01358 0.00464 -0.00212 0.00057 0.00059 61 5 H 1S 0.02075 0.00568 0.00940 0.00565 0.00242 62 2S 0.03060 -0.00489 0.01305 0.01770 0.00650 63 6 H 1S 0.00897 0.01225 0.00076 0.00419 -0.00346 64 2S -0.00498 0.02403 -0.00972 -0.00720 -0.00561 65 7 O 1S 0.03365 0.00188 -0.00926 0.00881 -0.00408 66 2S -0.08565 -0.00925 0.02010 -0.02161 0.01019 67 2PX -0.03606 -0.02842 -0.01431 -0.03342 0.00967 68 2PY -0.06383 0.00554 0.04341 -0.00080 -0.01246 69 2PZ -0.07378 -0.06529 -0.02436 -0.03147 -0.02966 70 3S -0.14502 -0.00220 0.00576 -0.03623 0.00915 71 3PX -0.00386 -0.02098 -0.00217 -0.00671 0.00838 72 3PY -0.04535 0.00213 0.02760 -0.00143 -0.00826 73 3PZ -0.04402 -0.02602 -0.01817 -0.02935 -0.02041 74 4XX 0.00707 -0.00484 0.00343 0.00474 -0.00053 75 4YY 0.00255 0.00001 -0.00238 0.00049 0.00073 76 4ZZ 0.00268 0.00309 0.00096 -0.00347 -0.00006 77 4XY 0.00459 0.00132 -0.00224 0.00177 -0.00044 78 4XZ 0.00512 0.00090 0.00065 -0.00174 0.00015 79 4YZ 0.00392 0.00492 -0.00177 -0.00035 0.00104 80 8 H 1S 0.13823 -0.01463 0.04025 -0.06419 -0.01030 81 2S 0.05310 0.00285 0.02944 -0.05323 -0.00710 82 9 H 1S -0.06701 -0.00165 0.02500 0.00188 0.00286 83 2S -0.06604 0.00133 0.02217 -0.00048 0.00382 84 10 C 1S 0.00390 -0.00129 -0.00151 0.00188 -0.00022 85 2S -0.00677 0.00638 0.00182 -0.00093 0.00029 86 2PX -0.05255 0.05985 -0.02886 -0.04678 0.00077 87 2PY -0.01291 0.01205 -0.00197 -0.01428 0.00019 88 2PZ 0.03694 -0.04004 0.02420 0.04463 0.00000 89 3S -0.01672 0.01873 0.00030 -0.02369 -0.00099 90 3PX -0.04058 0.05287 -0.02554 -0.04984 -0.00035 91 3PY -0.01632 0.01492 0.00055 -0.01446 -0.00038 92 3PZ 0.02603 -0.03147 0.01794 0.02776 0.00045 93 4XX 0.00024 0.00003 0.00019 -0.00002 -0.00005 94 4YY 0.00068 0.00029 -0.00078 -0.00031 0.00003 95 4ZZ -0.00088 0.00002 0.00009 -0.00039 -0.00002 96 4XY -0.00199 -0.00069 -0.00034 -0.00057 0.00023 97 4XZ -0.00100 0.00051 0.00015 -0.00056 0.00002 98 4YZ 0.00083 0.00006 0.00064 -0.00063 -0.00018 99 11 C 1S 0.00362 -0.00660 0.00256 0.00154 -0.00079 100 2S -0.01131 0.01009 -0.00679 -0.01149 0.00083 101 2PX -0.05397 0.00585 -0.01974 -0.02472 0.00598 102 2PY -0.00008 -0.00333 -0.00115 0.00223 -0.00039 103 2PZ 0.02765 0.00106 0.01112 -0.00967 -0.00412 104 3S -0.00268 -0.00189 -0.00725 0.00410 -0.00147 105 3PX -0.04286 0.00790 -0.01495 -0.01274 0.00315 106 3PY -0.01053 0.00921 -0.00065 -0.00995 -0.00123 107 3PZ 0.02490 -0.00564 0.01187 0.00643 -0.00385 108 4XX 0.00169 -0.00394 0.00084 0.00308 0.00026 109 4YY -0.00169 0.00184 0.00011 -0.00116 -0.00010 110 4ZZ 0.00040 0.00224 -0.00090 -0.00129 -0.00022 111 4XY 0.00083 -0.00266 0.00134 0.00150 0.00008 112 4XZ -0.00036 0.00043 -0.00057 0.00028 0.00007 113 4YZ -0.00243 0.00313 -0.00123 -0.00358 -0.00014 114 12 C 1S 0.01939 -0.00116 -0.00042 0.00289 -0.00166 115 2S -0.00898 0.00241 -0.00593 0.00279 0.00291 116 2PX 0.03369 -0.06897 0.01876 0.07191 0.00639 117 2PY -0.03756 0.02648 0.00967 -0.01844 -0.00236 118 2PZ 0.01771 0.05827 -0.01997 -0.02544 -0.00506 119 3S 0.00633 -0.01131 0.00142 0.01276 0.00712 120 3PX 0.00809 -0.04890 0.01363 0.04702 0.00462 121 3PY -0.01663 0.01405 -0.00005 -0.01041 -0.00312 122 3PZ -0.00659 0.04815 -0.01788 -0.03220 -0.00457 123 4XX 0.00472 -0.00307 0.00193 0.00247 -0.00044 124 4YY -0.00364 0.00184 0.00001 -0.00113 0.00003 125 4ZZ -0.00023 -0.00015 -0.00089 -0.00026 0.00011 126 4XY -0.00142 0.00135 0.00003 -0.00168 0.00002 127 4XZ -0.00285 0.00369 -0.00203 -0.00204 0.00022 128 4YZ -0.00038 -0.00132 0.00012 0.00000 0.00008 129 13 C 1S 0.00606 -0.00470 0.00098 0.00664 -0.00063 130 2S -0.00124 0.01725 -0.01047 -0.00698 0.00056 131 2PX -0.00167 0.02393 -0.00749 -0.00779 0.00092 132 2PY 0.00814 -0.00042 -0.00132 0.00014 -0.00003 133 2PZ -0.01872 -0.03174 0.02065 0.00120 -0.00036 134 3S 0.00820 0.00615 -0.01295 0.00618 0.00265 135 3PX -0.00074 0.01150 -0.00524 -0.00038 0.00163 136 3PY 0.00022 0.00630 -0.00020 -0.00481 0.00103 137 3PZ -0.00599 -0.01038 0.00827 -0.00124 0.00221 138 4XX 0.00009 0.00074 0.00012 -0.00114 -0.00015 139 4YY -0.00193 0.00187 -0.00015 -0.00175 -0.00006 140 4ZZ 0.00176 -0.00343 0.00076 0.00268 0.00024 141 4XY -0.00003 0.00086 -0.00052 -0.00002 0.00009 142 4XZ -0.00100 0.00534 -0.00189 -0.00366 -0.00014 143 4YZ -0.00124 -0.00131 0.00081 -0.00021 0.00006 144 14 C 1S 0.00525 -0.00501 0.00098 0.00473 0.00003 145 2S -0.02180 0.00780 0.00160 -0.01516 0.00002 146 2PX -0.00052 -0.01195 0.00919 0.00205 -0.00010 147 2PY -0.00381 0.01243 -0.00419 -0.00048 -0.00020 148 2PZ 0.04389 -0.01015 -0.00924 0.02307 -0.00037 149 3S -0.04200 0.02838 0.00535 -0.03137 -0.00109 150 3PX 0.00318 -0.01262 0.00702 0.00619 -0.00048 151 3PY -0.00214 0.00969 -0.00077 -0.00395 -0.00025 152 3PZ 0.02033 -0.00941 -0.00151 0.01530 -0.00021 153 4XX 0.00139 -0.00147 0.00037 0.00129 0.00000 154 4YY 0.00026 0.00079 -0.00090 -0.00035 0.00006 155 4ZZ -0.00033 0.00014 0.00036 -0.00008 0.00003 156 4XY 0.00040 0.00082 -0.00056 0.00005 0.00005 157 4XZ -0.00187 0.00007 0.00044 -0.00093 0.00004 158 4YZ -0.00164 -0.00037 0.00061 -0.00080 -0.00002 159 15 C 1S -0.00390 -0.00525 0.00344 0.00095 -0.00015 160 2S -0.01547 0.01582 -0.00096 -0.01385 0.00009 161 2PX -0.01236 0.01447 0.00299 -0.02189 -0.00100 162 2PY -0.04105 0.00810 0.01500 -0.00944 0.00028 163 2PZ -0.01992 -0.01701 0.01066 -0.00461 0.00082 164 3S -0.00131 -0.00104 0.00791 0.00824 0.00048 165 3PX -0.00671 0.01959 -0.00144 -0.02259 -0.00095 166 3PY -0.00009 -0.01034 0.00611 0.01129 0.00073 167 3PZ -0.00728 -0.00997 -0.00096 -0.00260 0.00042 168 4XX 0.00314 -0.00457 0.00247 0.00448 0.00002 169 4YY 0.00159 0.00070 -0.00134 -0.00045 -0.00003 170 4ZZ -0.00306 0.00203 -0.00063 -0.00256 -0.00003 171 4XY 0.00029 -0.00087 0.00000 0.00032 -0.00001 172 4XZ -0.00172 0.00155 -0.00055 -0.00176 -0.00002 173 4YZ -0.00055 0.00013 0.00041 -0.00045 -0.00004 174 16 H 1S -0.00200 -0.00181 0.00061 -0.00424 -0.00016 175 2S -0.00661 0.00104 0.00090 -0.00986 -0.00018 176 17 H 1S 0.00376 -0.00141 -0.00193 0.01246 0.00035 177 2S 0.00975 -0.00671 0.00048 0.01872 0.00029 178 18 H 1S -0.02949 0.01402 0.00486 -0.00815 0.00033 179 2S -0.02847 0.01788 0.00477 -0.01338 -0.00067 180 19 H 1S -0.00477 0.02014 -0.00649 -0.01303 -0.00031 181 2S -0.01425 0.02387 -0.00531 -0.02556 -0.00458 182 20 H 1S 0.00045 -0.00973 0.00532 0.00139 0.00007 183 2S 0.00729 -0.00637 -0.00234 0.00013 0.00073 184 21 H 1S 0.02037 0.00386 -0.01136 -0.00076 -0.00022 185 2S 0.02622 -0.00368 -0.01245 0.00671 0.00028 186 22 H 1S -0.00338 -0.03165 0.01292 0.01169 0.00042 187 2S 0.00315 -0.05085 0.02064 0.02778 0.00044 188 23 H 1S 0.01568 0.00285 -0.00665 0.00497 -0.00012 189 2S 0.02781 -0.00370 -0.00430 0.01380 0.00000 56 57 58 59 60 56 4YY 0.00124 57 4ZZ -0.00025 0.00166 58 4XY -0.00016 -0.00042 0.00146 59 4XZ -0.00086 0.00048 0.00038 0.00147 60 4YZ -0.00001 -0.00006 0.00045 0.00023 0.00192 61 5 H 1S 0.00013 -0.00360 0.00183 -0.00183 -0.00070 62 2S 0.00011 -0.00765 0.00380 -0.00289 -0.00148 63 6 H 1S 0.00043 0.00137 -0.00038 0.00037 0.00170 64 2S 0.00070 0.00374 -0.00106 0.00177 0.00353 65 7 O 1S 0.00187 -0.00015 -0.00471 -0.00482 -0.00418 66 2S -0.00417 0.00085 0.01094 0.01112 0.00916 67 2PX 0.00838 -0.01394 -0.00470 -0.02047 -0.01403 68 2PY 0.01669 -0.00483 0.01115 -0.01396 0.00988 69 2PZ 0.00734 0.02319 -0.01508 -0.00360 0.00086 70 3S -0.00037 -0.00054 0.01372 0.00833 0.01643 71 3PX 0.00484 -0.01121 -0.00028 -0.01239 -0.00876 72 3PY 0.01108 -0.00301 0.00645 -0.00951 0.00553 73 3PZ 0.00453 0.01586 -0.00909 -0.00057 0.00239 74 4XX -0.00009 0.00032 0.00036 0.00026 -0.00009 75 4YY -0.00086 0.00021 -0.00086 0.00067 -0.00082 76 4ZZ 0.00012 -0.00011 0.00000 -0.00029 -0.00035 77 4XY -0.00033 0.00031 0.00003 0.00095 0.00054 78 4XZ -0.00020 -0.00014 0.00023 0.00045 -0.00007 79 4YZ -0.00016 -0.00112 0.00036 0.00013 0.00011 80 8 H 1S -0.00133 0.00727 -0.00491 0.00219 -0.01375 81 2S -0.00114 0.00780 -0.00503 0.00106 -0.00999 82 9 H 1S 0.00066 0.00200 0.00225 0.00135 0.00732 83 2S -0.00248 0.00396 0.00105 0.00287 0.00649 84 10 C 1S -0.00006 -0.00029 0.00007 -0.00015 -0.00021 85 2S 0.00020 0.00039 -0.00073 0.00017 0.00063 86 2PX -0.00040 0.00168 -0.00112 0.00113 0.00166 87 2PY 0.00036 0.00028 -0.00003 0.00034 0.00047 88 2PZ 0.00041 -0.00081 -0.00003 -0.00070 -0.00061 89 3S -0.00034 0.00145 0.00062 0.00230 0.00015 90 3PX -0.00066 0.00194 -0.00072 0.00173 0.00124 91 3PY 0.00015 0.00056 0.00100 0.00120 -0.00023 92 3PZ -0.00027 -0.00077 0.00075 0.00001 -0.00098 93 4XX 0.00002 -0.00002 0.00027 0.00005 -0.00026 94 4YY 0.00000 -0.00001 -0.00012 -0.00001 0.00010 95 4ZZ -0.00001 0.00004 -0.00015 -0.00003 0.00014 96 4XY -0.00009 -0.00008 -0.00017 -0.00010 0.00022 97 4XZ -0.00003 0.00004 0.00000 0.00003 -0.00001 98 4YZ 0.00004 0.00003 0.00028 0.00011 -0.00028 99 11 C 1S -0.00013 -0.00029 -0.00016 -0.00048 -0.00029 100 2S -0.00023 0.00012 0.00026 0.00093 0.00044 101 2PX -0.00213 -0.00135 -0.00434 -0.00196 0.00517 102 2PY -0.00021 -0.00021 0.00101 0.00047 -0.00091 103 2PZ 0.00109 0.00082 0.00386 0.00187 -0.00430 104 3S 0.00113 0.00123 -0.00143 -0.00108 0.00187 105 3PX -0.00075 -0.00017 -0.00423 -0.00206 0.00492 106 3PY 0.00027 0.00052 0.00158 0.00124 -0.00049 107 3PZ 0.00119 0.00131 0.00243 0.00098 -0.00297 108 4XX -0.00010 -0.00016 -0.00005 -0.00017 0.00001 109 4YY 0.00008 0.00007 -0.00004 0.00010 0.00007 110 4ZZ 0.00001 0.00017 0.00002 0.00012 0.00000 111 4XY -0.00001 -0.00011 -0.00003 -0.00007 0.00001 112 4XZ -0.00004 0.00001 0.00000 -0.00003 0.00008 113 4YZ 0.00004 0.00009 0.00001 0.00009 0.00002 114 12 C 1S -0.00015 0.00005 0.00065 0.00087 -0.00069 115 2S -0.00072 -0.00093 -0.00175 -0.00215 0.00189 116 2PX -0.00200 -0.00300 -0.00232 -0.00444 0.00161 117 2PY 0.00233 0.00031 -0.00081 0.00155 0.00050 118 2PZ 0.00114 0.00308 0.00135 0.00101 -0.00103 119 3S -0.00221 -0.00431 0.00026 -0.00174 -0.00001 120 3PX -0.00123 -0.00194 -0.00166 -0.00304 0.00253 121 3PY 0.00109 0.00251 -0.00187 0.00075 0.00115 122 3PZ 0.00142 0.00257 0.00108 0.00144 0.00021 123 4XX 0.00004 0.00018 0.00038 0.00023 -0.00043 124 4YY 0.00015 -0.00003 -0.00013 -0.00003 0.00015 125 4ZZ -0.00007 0.00003 -0.00018 -0.00010 0.00011 126 4XY -0.00001 0.00004 -0.00002 0.00009 0.00003 127 4XZ -0.00004 -0.00003 -0.00006 -0.00003 0.00023 128 4YZ -0.00001 -0.00010 -0.00001 0.00000 -0.00001 129 13 C 1S 0.00003 -0.00062 0.00037 0.00066 -0.00023 130 2S -0.00028 0.00051 -0.00055 -0.00101 0.00046 131 2PX -0.00017 0.00050 0.00007 -0.00114 -0.00049 132 2PY -0.00039 -0.00048 0.00037 -0.00007 -0.00025 133 2PZ 0.00086 -0.00154 0.00068 0.00209 -0.00104 134 3S -0.00173 0.00032 -0.00252 -0.00127 0.00140 135 3PX -0.00055 -0.00056 0.00074 -0.00019 -0.00029 136 3PY -0.00030 -0.00096 0.00040 -0.00011 -0.00086 137 3PZ -0.00003 -0.00250 0.00078 0.00054 -0.00121 138 4XX 0.00004 0.00005 0.00009 0.00012 -0.00013 139 4YY 0.00009 0.00005 -0.00006 0.00001 0.00004 140 4ZZ -0.00008 -0.00017 -0.00003 -0.00016 0.00000 141 4XY -0.00002 0.00000 0.00001 -0.00005 0.00000 142 4XZ 0.00004 0.00017 -0.00001 -0.00002 -0.00001 143 4YZ -0.00002 -0.00005 0.00004 0.00003 -0.00004 144 14 C 1S -0.00008 -0.00049 0.00020 0.00000 -0.00011 145 2S 0.00002 0.00104 -0.00069 -0.00019 0.00086 146 2PX -0.00039 0.00049 -0.00069 -0.00064 0.00045 147 2PY 0.00053 0.00051 0.00008 0.00001 -0.00028 148 2PZ 0.00052 -0.00123 0.00080 0.00047 -0.00108 149 3S 0.00032 0.00204 0.00000 0.00124 -0.00020 150 3PX 0.00016 0.00013 -0.00060 -0.00079 -0.00027 151 3PY 0.00050 0.00008 0.00040 0.00020 -0.00075 152 3PZ 0.00046 -0.00077 0.00015 -0.00018 -0.00029 153 4XX 0.00000 -0.00004 -0.00007 -0.00003 0.00007 154 4YY -0.00001 -0.00001 -0.00012 -0.00006 0.00013 155 4ZZ -0.00001 -0.00004 0.00024 0.00009 -0.00020 156 4XY 0.00002 -0.00004 0.00000 -0.00003 -0.00001 157 4XZ -0.00006 0.00010 -0.00029 -0.00008 0.00030 158 4YZ 0.00002 0.00001 -0.00005 0.00005 0.00005 159 15 C 1S 0.00008 -0.00011 -0.00037 -0.00016 0.00043 160 2S -0.00002 0.00080 0.00017 0.00052 -0.00030 161 2PX 0.00030 0.00016 0.00560 0.00162 -0.00505 162 2PY -0.00010 0.00085 0.00230 0.00076 -0.00154 163 2PZ -0.00048 0.00001 -0.00325 -0.00149 0.00330 164 3S 0.00091 -0.00076 0.00075 -0.00094 -0.00172 165 3PX 0.00000 0.00059 0.00377 0.00169 -0.00388 166 3PY 0.00033 -0.00107 0.00101 -0.00101 -0.00112 167 3PZ -0.00013 -0.00012 -0.00331 -0.00148 0.00305 168 4XX 0.00001 -0.00011 0.00023 -0.00002 -0.00021 169 4YY 0.00000 0.00000 -0.00013 -0.00001 0.00009 170 4ZZ -0.00004 0.00012 0.00002 0.00009 0.00009 171 4XY 0.00001 -0.00007 0.00010 -0.00005 -0.00009 172 4XZ -0.00003 0.00008 -0.00023 -0.00002 0.00015 173 4YZ -0.00001 0.00007 -0.00004 0.00000 0.00003 174 16 H 1S -0.00019 -0.00006 0.00041 0.00004 -0.00040 175 2S -0.00042 0.00012 0.00102 0.00048 -0.00077 176 17 H 1S -0.00008 0.00003 0.00004 0.00002 0.00023 177 2S -0.00018 0.00021 -0.00046 -0.00056 0.00024 178 18 H 1S 0.00113 -0.00055 -0.00137 -0.00012 0.00127 179 2S 0.00161 -0.00050 -0.00017 0.00046 0.00062 180 19 H 1S 0.00002 0.00078 0.00019 -0.00020 -0.00044 181 2S 0.00153 0.00304 0.00010 0.00037 0.00013 182 20 H 1S -0.00031 0.00031 -0.00088 -0.00045 0.00090 183 2S -0.00071 0.00002 -0.00118 -0.00037 0.00185 184 21 H 1S 0.00017 -0.00023 -0.00116 -0.00024 0.00057 185 2S 0.00015 -0.00083 -0.00147 -0.00089 0.00104 186 22 H 1S -0.00006 -0.00121 0.00009 0.00067 -0.00002 187 2S -0.00015 -0.00139 0.00071 0.00051 -0.00017 188 23 H 1S 0.00033 -0.00055 0.00128 0.00051 -0.00126 189 2S 0.00033 -0.00111 0.00256 0.00036 -0.00282 61 62 63 64 65 61 5 H 1S 0.22401 62 2S 0.18439 0.19878 63 6 H 1S -0.04299 -0.08902 0.22350 64 2S -0.08219 -0.12033 0.17399 0.16572 65 7 O 1S 0.00889 0.00532 0.01026 0.00569 2.07557 66 2S -0.02014 -0.01017 -0.02490 -0.01482 -0.17799 67 2PX 0.02515 0.08190 -0.06499 -0.11692 -0.01251 68 2PY 0.01453 0.02793 0.01386 0.03137 -0.03973 69 2PZ -0.07388 -0.15915 0.02891 0.07567 -0.00479 70 3S -0.04561 -0.02896 -0.04016 -0.01085 -0.24523 71 3PX 0.02839 0.07369 -0.05426 -0.08763 -0.00938 72 3PY 0.00976 0.01834 0.00600 0.01561 -0.02573 73 3PZ -0.06367 -0.12026 0.03094 0.06849 -0.00453 74 4XX -0.00188 -0.00272 0.00638 0.00588 -0.01520 75 4YY 0.00010 -0.00145 -0.00047 -0.00281 -0.01267 76 4ZZ 0.00617 0.00636 -0.00214 -0.00286 -0.01397 77 4XY -0.00032 -0.00176 -0.00191 0.00179 0.00150 78 4XZ 0.00215 0.00178 0.00194 0.00098 -0.00372 79 4YZ -0.00169 0.00307 -0.00018 -0.00080 0.00139 80 8 H 1S -0.00729 -0.01839 -0.00083 -0.00208 0.01458 81 2S -0.01728 -0.03271 0.00156 0.00583 0.01571 82 9 H 1S -0.00729 -0.01839 -0.00083 -0.00208 -0.00352 83 2S -0.01727 -0.03270 0.00156 0.00583 -0.00324 84 10 C 1S 0.00063 0.00066 -0.00094 -0.00200 0.00003 85 2S -0.00138 -0.00226 0.00273 0.00547 0.00038 86 2PX -0.00488 -0.01326 0.00763 0.01682 -0.00239 87 2PY -0.00007 -0.00431 0.00022 0.00112 -0.00041 88 2PZ 0.00085 0.00874 -0.00253 -0.00554 0.00198 89 3S -0.01206 -0.01737 0.01089 0.01796 -0.00543 90 3PX -0.00794 -0.01862 0.00929 0.01860 -0.00314 91 3PY 0.00186 0.00056 -0.00200 -0.00258 -0.00232 92 3PZ -0.00143 0.00370 -0.00085 -0.00354 0.00044 93 4XX 0.00039 0.00096 -0.00050 -0.00101 0.00000 94 4YY -0.00023 -0.00051 0.00037 0.00070 -0.00004 95 4ZZ -0.00041 -0.00114 0.00047 0.00082 0.00000 96 4XY -0.00014 -0.00053 0.00021 0.00047 -0.00015 97 4XZ -0.00006 -0.00017 0.00017 0.00027 -0.00004 98 4YZ 0.00038 0.00089 -0.00044 -0.00086 0.00002 99 11 C 1S 0.00063 0.00066 -0.00094 -0.00200 0.00025 100 2S -0.00138 -0.00226 0.00273 0.00547 -0.00140 101 2PX -0.00488 -0.01326 0.00763 0.01683 -0.00322 102 2PY 0.00007 0.00431 -0.00022 -0.00112 -0.00047 103 2PZ 0.00086 0.00874 -0.00253 -0.00554 0.00086 104 3S -0.01207 -0.01738 0.01090 0.01797 0.00079 105 3PX -0.00795 -0.01862 0.00930 0.01861 -0.00142 106 3PY -0.00186 -0.00056 0.00200 0.00257 -0.00426 107 3PZ -0.00143 0.00370 -0.00084 -0.00354 0.00192 108 4XX 0.00039 0.00096 -0.00050 -0.00101 0.00007 109 4YY -0.00023 -0.00051 0.00037 0.00070 -0.00006 110 4ZZ -0.00041 -0.00114 0.00047 0.00082 -0.00013 111 4XY 0.00014 0.00053 -0.00021 -0.00047 -0.00001 112 4XZ -0.00006 -0.00017 0.00017 0.00027 -0.00007 113 4YZ -0.00038 -0.00089 0.00044 0.00086 -0.00018 114 12 C 1S -0.00145 -0.00191 0.00142 0.00191 -0.00006 115 2S 0.00102 0.00050 -0.00087 -0.00083 0.00124 116 2PX 0.00985 0.01930 -0.01077 -0.02156 0.00404 117 2PY -0.00186 -0.00327 0.00153 0.00370 -0.00016 118 2PZ -0.00338 -0.01361 0.00282 0.00565 0.00063 119 3S 0.02159 0.03437 -0.01834 -0.02970 -0.00072 120 3PX 0.00372 0.00893 -0.00436 -0.00958 -0.00230 121 3PY -0.01273 -0.02261 0.01006 0.01785 0.00275 122 3PZ -0.00671 -0.01664 0.00827 0.01473 -0.00410 123 4XX -0.00017 0.00052 0.00012 -0.00027 0.00035 124 4YY -0.00012 -0.00042 0.00009 0.00042 0.00017 125 4ZZ -0.00023 -0.00084 0.00020 0.00041 0.00016 126 4XY 0.00000 -0.00028 0.00012 0.00035 -0.00005 127 4XZ -0.00017 -0.00005 0.00031 0.00087 -0.00011 128 4YZ 0.00002 0.00029 -0.00004 -0.00012 0.00000 129 13 C 1S 0.00270 -0.00010 -0.00148 -0.00291 -0.00055 130 2S -0.00473 -0.00130 0.00243 0.00564 0.00098 131 2PX -0.00805 0.01067 0.00374 0.00935 0.00448 132 2PY 0.00102 0.00203 -0.00104 -0.00523 0.00124 133 2PZ -0.00060 0.00672 0.00045 -0.00186 -0.00164 134 3S -0.01212 -0.00945 0.00559 0.00914 0.00837 135 3PX -0.00232 0.00804 0.00051 0.00123 0.00231 136 3PY -0.00034 0.00285 -0.00113 -0.00426 0.00265 137 3PZ 0.00659 0.01557 -0.00515 -0.01008 0.00095 138 4XX 0.00011 0.00053 0.00001 0.00014 0.00014 139 4YY -0.00020 -0.00023 0.00012 0.00038 -0.00007 140 4ZZ 0.00062 0.00073 -0.00060 -0.00132 0.00013 141 4XY -0.00045 -0.00022 0.00026 0.00035 0.00014 142 4XZ -0.00073 -0.00062 0.00048 0.00118 0.00013 143 4YZ 0.00012 0.00042 -0.00011 -0.00027 -0.00001 144 14 C 1S 0.00270 -0.00010 -0.00148 -0.00291 0.00035 145 2S -0.00473 -0.00130 0.00243 0.00564 -0.00090 146 2PX -0.00805 0.01067 0.00374 0.00935 -0.00001 147 2PY -0.00102 -0.00203 0.00104 0.00523 -0.00021 148 2PZ -0.00060 0.00672 0.00045 -0.00186 0.00074 149 3S -0.01211 -0.00943 0.00559 0.00913 -0.00140 150 3PX -0.00232 0.00805 0.00051 0.00123 0.00066 151 3PY 0.00035 -0.00285 0.00112 0.00425 -0.00032 152 3PZ 0.00659 0.01558 -0.00515 -0.01008 0.00120 153 4XX 0.00011 0.00053 0.00001 0.00014 0.00004 154 4YY -0.00020 -0.00023 0.00012 0.00038 -0.00004 155 4ZZ 0.00062 0.00073 -0.00060 -0.00132 -0.00007 156 4XY 0.00045 0.00022 -0.00026 -0.00035 0.00020 157 4XZ -0.00073 -0.00062 0.00048 0.00118 -0.00011 158 4YZ -0.00012 -0.00042 0.00011 0.00027 -0.00014 159 15 C 1S -0.00145 -0.00191 0.00142 0.00191 -0.00022 160 2S 0.00102 0.00050 -0.00087 -0.00083 -0.00083 161 2PX 0.00985 0.01929 -0.01077 -0.02156 -0.00029 162 2PY 0.00186 0.00327 -0.00153 -0.00370 -0.00057 163 2PZ -0.00338 -0.01361 0.00282 0.00565 -0.00038 164 3S 0.02158 0.03436 -0.01834 -0.02969 0.00478 165 3PX 0.00373 0.00894 -0.00437 -0.00959 0.00034 166 3PY 0.01273 0.02261 -0.01006 -0.01784 0.00292 167 3PZ -0.00671 -0.01663 0.00827 0.01473 -0.00037 168 4XX -0.00017 0.00052 0.00012 -0.00027 0.00005 169 4YY -0.00012 -0.00042 0.00009 0.00042 -0.00013 170 4ZZ -0.00023 -0.00084 0.00020 0.00041 -0.00024 171 4XY 0.00000 0.00028 -0.00012 -0.00035 0.00001 172 4XZ -0.00017 -0.00005 0.00031 0.00087 -0.00001 173 4YZ -0.00002 -0.00029 0.00004 0.00012 -0.00001 174 16 H 1S 0.00108 0.00129 -0.00069 -0.00180 -0.00010 175 2S 0.00093 0.00051 -0.00122 -0.00266 -0.00077 176 17 H 1S 0.00108 0.00129 -0.00069 -0.00180 0.00019 177 2S 0.00093 0.00051 -0.00122 -0.00266 0.00148 178 18 H 1S 0.00045 0.00001 -0.00050 0.00054 0.00030 179 2S 0.00163 0.00218 -0.00051 0.00036 -0.00252 180 19 H 1S -0.00402 0.00596 0.00266 0.00703 0.00248 181 2S -0.00757 -0.00843 0.00726 0.01618 -0.00390 182 20 H 1S -0.00402 0.00596 0.00266 0.00704 -0.00029 183 2S -0.00758 -0.00844 0.00727 0.01619 -0.00186 184 21 H 1S 0.00045 0.00001 -0.00049 0.00055 0.00027 185 2S 0.00163 0.00218 -0.00051 0.00036 0.00064 186 22 H 1S 0.00356 0.00220 -0.00241 -0.00705 -0.00177 187 2S 0.00648 0.00730 -0.00501 -0.01208 -0.00269 188 23 H 1S 0.00356 0.00220 -0.00241 -0.00706 0.00058 189 2S 0.00648 0.00729 -0.00501 -0.01208 0.00121 66 67 68 69 70 66 2S 0.50359 67 2PX 0.02850 0.64791 68 2PY 0.07464 0.02589 0.66560 69 2PZ 0.00377 -0.13783 0.04101 0.71652 70 3S 0.59250 0.04942 0.21999 0.05278 0.75618 71 3PX 0.02093 0.40599 0.03490 -0.15871 0.03229 72 3PY 0.04922 0.03539 0.42233 0.03768 0.14005 73 3PZ 0.00465 -0.14600 0.04618 0.46282 0.04139 74 4XX -0.00285 -0.01349 0.00530 0.00322 -0.00421 75 4YY -0.00833 0.00249 -0.04105 -0.00244 -0.01835 76 4ZZ -0.00547 0.00533 0.00589 -0.00732 -0.00646 77 4XY -0.00344 -0.02796 -0.00808 0.00450 -0.00490 78 4XZ 0.00792 -0.00237 -0.00090 -0.00743 0.00741 79 4YZ -0.00292 0.00402 -0.00308 -0.02923 -0.00413 80 8 H 1S -0.02981 0.01400 -0.01736 0.04332 -0.07740 81 2S -0.03187 0.01597 -0.02197 0.07309 -0.06865 82 9 H 1S 0.00990 -0.02878 -0.01995 -0.00586 0.01898 83 2S 0.00967 -0.05948 -0.04326 0.00655 0.01363 84 10 C 1S 0.00010 0.00146 0.00082 -0.00083 -0.00062 85 2S -0.00105 -0.00392 0.00067 0.00297 -0.00216 86 2PX 0.00425 -0.04302 0.00103 0.03259 0.01711 87 2PY 0.00032 -0.00710 -0.00082 0.00411 0.00387 88 2PZ -0.00298 0.03015 -0.00200 -0.02205 -0.01806 89 3S 0.01365 -0.02271 -0.01673 0.01044 0.01897 90 3PX 0.00674 -0.04386 -0.00767 0.03157 0.01955 91 3PY 0.00621 -0.01548 -0.00396 0.00332 0.00641 92 3PZ 0.00084 0.02318 -0.01234 -0.02613 -0.00832 93 4XX 0.00009 0.00031 0.00001 -0.00068 -0.00044 94 4YY 0.00004 -0.00041 0.00024 0.00034 0.00028 95 4ZZ -0.00011 -0.00058 0.00028 0.00066 0.00054 96 4XY 0.00016 0.00003 0.00001 -0.00025 0.00178 97 4XZ 0.00009 -0.00051 -0.00026 0.00007 0.00022 98 4YZ 0.00007 -0.00033 -0.00006 -0.00020 -0.00067 99 11 C 1S -0.00129 0.00317 -0.00082 -0.00062 0.00114 100 2S 0.00318 -0.01246 -0.00223 0.00105 0.00790 101 2PX 0.00264 -0.00852 -0.00006 0.00173 0.03874 102 2PY 0.00153 -0.00185 0.00070 -0.00194 0.00181 103 2PZ 0.00027 -0.00690 0.00067 0.00447 -0.01430 104 3S -0.00745 -0.01267 0.03844 0.04573 0.00170 105 3PX -0.00210 -0.00817 0.01578 0.02055 0.02453 106 3PY 0.00989 -0.01627 0.00470 0.00925 0.01277 107 3PZ -0.00330 -0.00864 0.01122 0.01854 -0.01834 108 4XX -0.00017 0.00236 -0.00047 -0.00184 -0.00011 109 4YY 0.00022 -0.00167 -0.00014 0.00100 0.00019 110 4ZZ 0.00056 -0.00254 -0.00020 0.00209 0.00009 111 4XY -0.00003 0.00169 -0.00006 -0.00139 0.00011 112 4XZ 0.00008 -0.00035 0.00047 0.00009 0.00016 113 4YZ 0.00030 -0.00253 0.00051 0.00235 0.00123 114 12 C 1S 0.00144 -0.00871 0.00185 0.00815 -0.00560 115 2S -0.00357 0.01382 -0.00158 -0.00917 -0.00092 116 2PX -0.00922 0.06018 -0.00860 -0.05232 -0.01762 117 2PY 0.00011 -0.01145 -0.00100 0.01312 0.00057 118 2PZ 0.00160 -0.01992 0.00434 0.02773 -0.01792 119 3S 0.00713 0.06015 -0.03805 -0.09379 0.00111 120 3PX 0.00370 0.03304 0.01208 -0.02382 0.00863 121 3PY -0.00818 -0.03526 0.00552 0.05511 -0.00729 122 3PZ 0.00912 -0.03603 0.01763 0.04421 0.00833 123 4XX -0.00046 -0.00294 0.00032 0.00201 -0.00246 124 4YY -0.00051 0.00016 0.00000 0.00057 0.00010 125 4ZZ -0.00055 0.00088 0.00000 0.00045 0.00027 126 4XY 0.00017 -0.00094 -0.00031 -0.00014 0.00047 127 4XZ 0.00025 0.00017 -0.00046 -0.00175 0.00071 128 4YZ -0.00013 0.00009 -0.00005 -0.00007 0.00070 129 13 C 1S 0.00228 -0.00379 0.00114 0.00311 -0.00116 130 2S -0.00251 0.01216 0.00118 -0.00876 -0.00488 131 2PX -0.00961 0.01821 -0.00505 -0.02211 -0.02702 132 2PY -0.00340 0.00614 -0.00451 -0.00844 -0.00435 133 2PZ 0.00099 -0.00593 -0.00074 -0.00282 0.01800 134 3S -0.01855 0.01248 -0.03111 -0.02061 -0.02749 135 3PX -0.00415 0.01345 -0.01809 -0.03042 -0.01420 136 3PY -0.00504 0.01906 -0.00894 -0.03007 -0.00734 137 3PZ -0.00118 0.02776 -0.01363 -0.04821 0.00314 138 4XX -0.00029 -0.00093 -0.00024 0.00025 -0.00059 139 4YY 0.00012 -0.00022 0.00054 0.00078 0.00044 140 4ZZ -0.00040 0.00224 0.00010 -0.00182 -0.00016 141 4XY -0.00034 0.00076 -0.00014 -0.00109 -0.00080 142 4XZ -0.00031 0.00009 0.00041 0.00039 -0.00116 143 4YZ -0.00010 0.00011 -0.00023 -0.00069 0.00073 144 14 C 1S -0.00036 0.00404 -0.00108 -0.00486 -0.00302 145 2S 0.00121 -0.00894 0.00204 0.01105 0.00783 146 2PX 0.00059 0.00208 0.00350 0.00420 -0.00134 147 2PY 0.00149 0.00085 0.00314 0.00132 -0.00365 148 2PZ -0.00001 0.00992 -0.00004 -0.00776 -0.01230 149 3S 0.00520 -0.02578 0.00375 0.01643 0.00764 150 3PX -0.00117 0.00456 0.01137 0.00984 -0.00275 151 3PY 0.00170 0.00796 0.00147 -0.00791 -0.00054 152 3PZ -0.00313 0.00206 0.00661 0.00188 -0.01043 153 4XX -0.00018 0.00035 0.00002 -0.00015 -0.00035 154 4YY 0.00000 0.00056 0.00024 -0.00030 0.00020 155 4ZZ 0.00014 0.00002 -0.00066 -0.00126 -0.00016 156 4XY -0.00047 0.00080 -0.00022 -0.00112 -0.00093 157 4XZ 0.00016 -0.00059 0.00033 0.00133 0.00111 158 4YZ 0.00015 -0.00081 0.00016 0.00077 0.00109 159 15 C 1S -0.00032 0.00196 0.00012 -0.00038 0.00417 160 2S 0.00189 -0.01053 -0.00069 0.00618 0.00260 161 2PX 0.00260 -0.00512 -0.00505 -0.01085 -0.00467 162 2PY 0.00159 -0.00636 -0.00592 -0.00505 0.00354 163 2PZ -0.00241 0.00385 0.00207 0.00366 0.01629 164 3S -0.01174 0.01339 0.01503 -0.00939 -0.02206 165 3PX 0.00062 -0.00598 -0.01028 -0.00676 -0.00577 166 3PY -0.00710 0.01718 0.00351 -0.01291 -0.01076 167 3PZ -0.00261 0.00465 0.00626 0.01133 0.01417 168 4XX 0.00009 0.00284 -0.00057 -0.00300 -0.00127 169 4YY 0.00025 -0.00074 0.00051 0.00126 0.00029 170 4ZZ 0.00047 -0.00252 -0.00016 0.00186 0.00151 171 4XY -0.00007 0.00087 0.00024 -0.00054 0.00019 172 4XZ -0.00013 -0.00149 0.00050 0.00179 0.00050 173 4YZ -0.00003 -0.00036 0.00001 0.00037 0.00001 174 16 H 1S 0.00005 -0.00034 -0.00008 -0.00141 0.00234 175 2S 0.00190 -0.00462 -0.00423 -0.00298 0.00493 176 17 H 1S 0.00028 0.00315 0.00017 -0.00405 -0.00398 177 2S -0.00270 0.00741 0.00120 -0.00151 -0.00955 178 18 H 1S -0.00116 0.00314 -0.00246 -0.00083 0.00162 179 2S 0.00539 -0.00053 0.00904 -0.00038 0.01044 180 19 H 1S -0.00571 0.00293 -0.00146 -0.00480 -0.01333 181 2S 0.00520 -0.03405 0.03724 0.06461 0.00936 182 20 H 1S 0.00059 -0.00035 0.00238 0.00407 0.00245 183 2S 0.00407 0.00767 -0.00836 -0.00690 0.01129 184 21 H 1S -0.00065 -0.00042 0.00413 0.00615 -0.00284 185 2S -0.00182 0.00851 0.00308 0.00134 -0.00272 186 22 H 1S 0.00218 -0.00116 -0.00040 -0.00143 0.01642 187 2S 0.00416 -0.00434 0.00207 0.00443 0.01705 188 23 H 1S -0.00069 0.00313 -0.00275 -0.00693 -0.00618 189 2S -0.00103 0.01766 -0.00414 -0.02058 -0.01247 71 72 73 74 75 71 3PX 0.26578 72 3PY 0.03228 0.26979 73 3PZ -0.13779 0.03458 0.30851 74 4XX -0.00785 0.00286 0.00301 0.00104 75 4YY 0.00029 -0.02560 -0.00326 -0.00033 0.00294 76 4ZZ 0.00401 0.00371 -0.00472 0.00002 -0.00023 77 4XY -0.01726 -0.00594 0.00506 0.00037 0.00030 78 4XZ -0.00077 -0.00087 -0.00424 0.00009 -0.00005 79 4YZ 0.00508 -0.00252 -0.01812 -0.00023 0.00015 80 8 H 1S 0.00237 -0.00923 0.03206 0.00288 0.00091 81 2S -0.00175 -0.01054 0.04918 0.00109 0.00186 82 9 H 1S -0.02012 -0.01569 -0.00329 -0.00004 0.00060 83 2S -0.04088 -0.03098 0.00721 0.00016 0.00204 84 10 C 1S 0.00134 0.00076 -0.00103 0.00009 0.00004 85 2S -0.00261 0.00013 0.00346 -0.00010 0.00005 86 2PX -0.03878 0.00031 0.03012 -0.00275 -0.00045 87 2PY -0.00824 -0.00031 0.00421 -0.00069 -0.00012 88 2PZ 0.03032 -0.00157 -0.01983 0.00236 0.00073 89 3S -0.01852 -0.01304 0.01211 -0.00048 0.00033 90 3PX -0.03920 -0.00583 0.02957 -0.00241 -0.00017 91 3PY -0.01308 -0.00226 0.00470 -0.00063 0.00018 92 3PZ 0.02231 -0.00876 -0.02175 0.00160 0.00089 93 4XX 0.00021 0.00012 -0.00053 0.00002 0.00002 94 4YY -0.00031 0.00018 0.00030 -0.00002 -0.00002 95 4ZZ -0.00046 0.00004 0.00051 -0.00001 -0.00004 96 4XY -0.00025 -0.00020 -0.00043 -0.00007 -0.00007 97 4XZ -0.00043 -0.00024 0.00015 -0.00002 0.00000 98 4YZ -0.00026 0.00007 -0.00008 0.00004 0.00003 99 11 C 1S 0.00189 -0.00093 -0.00173 -0.00008 -0.00033 100 2S -0.01051 -0.00179 0.00209 -0.00055 -0.00005 101 2PX -0.01370 -0.00431 -0.00205 -0.00230 -0.00142 102 2PY -0.00021 0.00012 -0.00177 0.00019 0.00003 103 2PZ -0.00372 0.00182 0.00526 0.00099 0.00070 104 3S -0.01068 0.02535 0.03139 0.00069 -0.00216 105 3PX -0.01123 0.00766 0.01284 -0.00147 -0.00173 106 3PY -0.01247 0.00281 0.00864 -0.00013 -0.00044 107 3PZ -0.00388 0.00921 0.01390 0.00156 0.00007 108 4XX 0.00200 -0.00036 -0.00202 0.00013 0.00000 109 4YY -0.00128 -0.00012 0.00108 -0.00005 0.00002 110 4ZZ -0.00180 -0.00005 0.00199 -0.00002 0.00003 111 4XY 0.00141 -0.00014 -0.00138 0.00009 0.00000 112 4XZ -0.00017 0.00034 0.00012 0.00000 -0.00002 113 4YZ -0.00239 0.00031 0.00209 -0.00014 -0.00005 114 12 C 1S -0.00393 0.00167 0.00725 0.00024 0.00041 115 2S 0.01001 -0.00082 -0.00761 -0.00022 0.00028 116 2PX 0.05169 -0.00514 -0.04912 0.00249 0.00014 117 2PY -0.01067 -0.00137 0.01409 -0.00102 0.00053 118 2PZ -0.01445 0.00722 0.03125 -0.00083 0.00077 119 3S 0.04693 -0.02465 -0.06965 -0.00102 0.00234 120 3PX 0.02864 0.00709 -0.02554 0.00166 -0.00115 121 3PY -0.02790 0.00345 0.04139 0.00027 -0.00011 122 3PZ -0.02875 0.01326 0.04032 -0.00089 -0.00071 123 4XX -0.00148 0.00033 0.00128 0.00033 -0.00001 124 4YY -0.00019 -0.00005 0.00055 -0.00011 0.00002 125 4ZZ 0.00035 -0.00008 0.00015 -0.00007 -0.00005 126 4XY -0.00083 -0.00030 0.00014 -0.00008 0.00002 127 4XZ -0.00011 -0.00019 -0.00076 -0.00020 0.00001 128 4YZ -0.00009 -0.00017 -0.00036 -0.00001 -0.00004 129 13 C 1S -0.00096 0.00086 0.00116 0.00046 0.00040 130 2S 0.00699 0.00248 -0.00346 -0.00072 -0.00042 131 2PX 0.01208 0.00199 -0.01266 -0.00018 -0.00023 132 2PY 0.00447 -0.00334 -0.00584 -0.00039 0.00003 133 2PZ -0.00653 -0.00534 -0.00685 0.00000 -0.00064 134 3S 0.00874 -0.01881 -0.01343 -0.00045 0.00149 135 3PX 0.01046 -0.00958 -0.01983 -0.00034 0.00081 136 3PY 0.01350 -0.00611 -0.02006 -0.00079 0.00051 137 3PZ 0.01961 -0.01099 -0.03601 -0.00089 0.00054 138 4XX -0.00078 -0.00013 0.00032 -0.00003 -0.00002 139 4YY -0.00045 0.00037 0.00083 -0.00008 -0.00001 140 4ZZ 0.00192 -0.00007 -0.00189 0.00010 0.00000 141 4XY 0.00051 0.00004 -0.00072 -0.00001 -0.00003 142 4XZ -0.00035 0.00063 0.00109 -0.00016 0.00000 143 4YZ -0.00011 -0.00034 -0.00072 -0.00002 -0.00004 144 14 C 1S 0.00391 -0.00036 -0.00479 0.00039 0.00020 145 2S -0.00956 0.00118 0.00936 -0.00038 -0.00039 146 2PX 0.00212 0.00403 0.00351 0.00086 -0.00015 147 2PY 0.00073 0.00359 0.00254 0.00007 0.00010 148 2PZ 0.01197 0.00176 -0.00679 0.00102 0.00069 149 3S -0.02367 0.00329 0.01702 -0.00092 -0.00005 150 3PX 0.00319 0.00886 0.00549 0.00070 -0.00042 151 3PY 0.00614 0.00121 -0.00421 -0.00017 0.00011 152 3PZ 0.00362 0.00583 -0.00022 0.00061 0.00010 153 4XX 0.00055 0.00000 -0.00026 0.00007 0.00001 154 4YY 0.00032 0.00020 -0.00007 -0.00005 -0.00003 155 4ZZ 0.00000 -0.00047 -0.00093 -0.00002 0.00003 156 4XY 0.00060 -0.00006 -0.00079 -0.00004 0.00000 157 4XZ -0.00060 0.00009 0.00109 -0.00003 -0.00006 158 4YZ -0.00079 -0.00008 0.00050 -0.00003 -0.00005 159 15 C 1S 0.00087 -0.00084 -0.00100 0.00013 -0.00035 160 2S -0.00950 -0.00063 0.00695 -0.00070 0.00001 161 2PX -0.00800 -0.00068 -0.00652 -0.00054 0.00039 162 2PY -0.00668 -0.00534 -0.00313 -0.00032 0.00001 163 2PZ 0.00037 -0.00212 0.00013 -0.00035 -0.00100 164 3S 0.00989 0.01202 -0.00809 -0.00027 -0.00009 165 3PX -0.00764 -0.00555 -0.00206 -0.00061 0.00059 166 3PY 0.01268 0.00296 -0.01200 0.00014 -0.00005 167 3PZ 0.00165 0.00118 0.00636 -0.00022 -0.00109 168 4XX 0.00285 -0.00037 -0.00270 0.00027 0.00006 169 4YY -0.00057 0.00046 0.00101 -0.00002 -0.00002 170 4ZZ -0.00228 -0.00020 0.00155 -0.00012 -0.00004 171 4XY 0.00059 0.00018 -0.00056 0.00002 -0.00003 172 4XZ -0.00134 0.00030 0.00155 -0.00009 -0.00004 173 4YZ -0.00031 -0.00001 0.00033 0.00000 -0.00001 174 16 H 1S -0.00114 -0.00026 -0.00126 -0.00010 -0.00015 175 2S -0.00489 -0.00317 -0.00198 -0.00028 0.00000 176 17 H 1S 0.00455 0.00079 -0.00269 0.00028 0.00012 177 2S 0.00836 0.00169 -0.00184 0.00063 0.00018 178 18 H 1S 0.00071 -0.00217 0.00107 -0.00078 0.00045 179 2S -0.00212 0.00531 0.00268 -0.00088 -0.00030 180 19 H 1S -0.00015 0.00175 -0.00079 -0.00054 -0.00055 181 2S -0.02980 0.02632 0.04874 0.00006 -0.00276 182 20 H 1S 0.00061 0.00185 0.00296 0.00050 -0.00015 183 2S 0.00768 -0.00727 -0.00400 0.00018 0.00006 184 21 H 1S 0.00000 0.00403 0.00529 -0.00014 0.00004 185 2S 0.00714 0.00308 0.00040 0.00008 -0.00003 186 22 H 1S -0.00081 -0.00446 -0.00560 0.00021 -0.00032 187 2S -0.00079 -0.00282 -0.00444 0.00130 -0.00042 188 23 H 1S 0.00336 -0.00131 -0.00539 0.00001 0.00039 189 2S 0.01546 -0.00143 -0.01640 0.00042 0.00062 76 77 78 79 80 76 4ZZ 0.00079 77 4XY -0.00034 0.00161 78 4XZ 0.00011 0.00008 0.00045 79 4YZ 0.00019 0.00006 0.00028 0.00151 80 8 H 1S 0.00570 -0.00313 0.00366 -0.00319 0.21549 81 2S 0.00403 -0.00327 0.00123 -0.00428 0.15285 82 9 H 1S -0.00074 -0.00076 -0.00092 -0.00109 -0.01120 83 2S -0.00140 0.00066 -0.00084 -0.00143 -0.00665 84 10 C 1S 0.00015 -0.00003 0.00002 -0.00002 0.00040 85 2S -0.00011 0.00009 -0.00004 0.00009 -0.00107 86 2PX 0.00128 0.00141 0.00042 -0.00003 0.00591 87 2PY -0.00009 0.00026 0.00002 0.00013 -0.00079 88 2PZ -0.00096 -0.00123 -0.00035 0.00002 -0.00432 89 3S -0.00012 0.00098 0.00059 0.00005 0.00813 90 3PX 0.00105 0.00170 0.00058 -0.00005 0.00939 91 3PY 0.00029 0.00061 0.00016 -0.00005 0.00345 92 3PZ -0.00081 -0.00083 -0.00001 0.00032 -0.00179 93 4XX 0.00007 -0.00003 0.00001 -0.00003 0.00094 94 4YY -0.00002 0.00003 0.00000 0.00002 -0.00043 95 4ZZ -0.00003 0.00003 0.00000 0.00000 -0.00017 96 4XY -0.00009 0.00002 0.00001 0.00006 -0.00129 97 4XZ 0.00001 0.00002 0.00001 0.00000 0.00016 98 4YZ 0.00008 0.00001 0.00001 -0.00005 0.00121 99 11 C 1S -0.00035 -0.00003 0.00017 0.00007 0.00083 100 2S 0.00000 0.00064 0.00006 0.00021 -0.00296 101 2PX -0.00131 0.00059 0.00018 0.00132 -0.02683 102 2PY 0.00040 0.00017 0.00001 -0.00016 0.00212 103 2PZ 0.00115 0.00032 0.00009 -0.00089 0.02058 104 3S -0.00044 -0.00004 -0.00101 -0.00163 -0.00649 105 3PX -0.00103 0.00020 -0.00032 0.00030 -0.02163 106 3PY 0.00032 0.00066 0.00012 -0.00037 0.00339 107 3PZ 0.00067 0.00002 -0.00034 -0.00151 0.01690 108 4XX -0.00012 -0.00009 -0.00002 0.00002 -0.00102 109 4YY 0.00001 0.00007 0.00001 0.00000 0.00002 110 4ZZ 0.00007 0.00009 0.00003 -0.00006 0.00110 111 4XY -0.00009 -0.00006 -0.00001 0.00002 -0.00076 112 4XZ 0.00001 0.00000 -0.00002 -0.00001 -0.00068 113 4YZ 0.00008 0.00010 0.00002 -0.00002 0.00057 114 12 C 1S 0.00077 0.00030 0.00009 -0.00035 0.00600 115 2S -0.00013 -0.00069 -0.00043 0.00059 -0.01492 116 2PX -0.00221 -0.00263 -0.00078 0.00104 -0.02504 117 2PY 0.00025 0.00048 0.00004 0.00015 0.00206 118 2PZ 0.00242 0.00036 0.00006 -0.00079 0.02148 119 3S 0.00016 -0.00189 0.00061 0.00343 -0.01940 120 3PX -0.00189 -0.00172 -0.00060 0.00027 -0.02450 121 3PY -0.00023 0.00110 -0.00050 -0.00176 0.00643 122 3PZ 0.00145 0.00119 0.00008 -0.00116 0.01187 123 4XX -0.00001 0.00010 -0.00002 -0.00021 0.00237 124 4YY -0.00003 0.00001 -0.00003 0.00004 -0.00130 125 4ZZ -0.00002 -0.00005 0.00000 0.00000 0.00016 126 4XY 0.00004 0.00003 0.00003 0.00003 0.00041 127 4XZ 0.00007 0.00002 -0.00005 0.00017 -0.00177 128 4YZ -0.00006 0.00002 0.00000 0.00002 -0.00041 129 13 C 1S 0.00021 0.00008 0.00030 -0.00031 0.00045 130 2S 0.00056 -0.00060 -0.00048 0.00067 0.00109 131 2PX 0.00142 -0.00078 -0.00179 0.00146 0.00161 132 2PY 0.00010 -0.00045 -0.00033 0.00046 0.00109 133 2PZ -0.00159 0.00066 0.00045 0.00005 -0.00103 134 3S -0.00030 -0.00034 -0.00070 0.00141 -0.00628 135 3PX 0.00048 -0.00029 -0.00073 0.00148 -0.00653 136 3PY 0.00047 -0.00084 0.00010 0.00138 0.00366 137 3PZ -0.00017 -0.00070 0.00054 0.00194 -0.00270 138 4XX 0.00005 0.00005 -0.00002 0.00000 0.00098 139 4YY 0.00006 0.00001 0.00002 0.00001 0.00039 140 4ZZ -0.00010 -0.00010 0.00001 0.00001 -0.00090 141 4XY 0.00003 -0.00004 -0.00007 0.00006 -0.00011 142 4XZ 0.00024 -0.00003 -0.00005 0.00007 0.00130 143 4YZ -0.00005 0.00002 0.00001 0.00002 -0.00010 144 14 C 1S 0.00013 -0.00012 -0.00004 0.00012 -0.00132 145 2S 0.00006 0.00032 0.00003 -0.00006 0.00099 146 2PX -0.00014 -0.00017 -0.00017 0.00007 -0.00111 147 2PY 0.00042 0.00007 0.00007 -0.00019 0.00171 148 2PZ -0.00005 -0.00049 -0.00004 -0.00002 -0.00124 149 3S 0.00064 0.00066 0.00026 -0.00011 0.01424 150 3PX -0.00017 -0.00030 -0.00021 -0.00039 0.00071 151 3PY 0.00046 -0.00028 0.00025 0.00016 0.00473 152 3PZ 0.00006 -0.00015 -0.00019 -0.00026 -0.00305 153 4XX -0.00005 -0.00001 -0.00001 0.00000 -0.00050 154 4YY 0.00001 -0.00001 -0.00001 0.00005 -0.00037 155 4ZZ 0.00004 -0.00001 0.00001 0.00000 0.00053 156 4XY 0.00004 -0.00002 -0.00005 0.00005 -0.00014 157 4XZ -0.00004 0.00002 -0.00001 0.00002 -0.00044 158 4YZ -0.00005 0.00005 0.00001 -0.00001 -0.00009 159 15 C 1S -0.00059 0.00006 -0.00001 0.00000 -0.00217 160 2S 0.00049 0.00032 0.00012 -0.00005 0.00569 161 2PX 0.00161 -0.00006 0.00024 -0.00046 0.01887 162 2PY 0.00047 -0.00005 0.00009 -0.00022 0.00820 163 2PZ -0.00143 0.00023 -0.00015 0.00048 -0.01269 164 3S 0.00112 -0.00078 -0.00042 -0.00012 0.00326 165 3PX 0.00155 -0.00003 0.00039 -0.00021 0.01990 166 3PY 0.00034 -0.00066 -0.00024 0.00012 -0.00385 167 3PZ -0.00116 0.00012 -0.00009 0.00030 -0.01165 168 4XX -0.00011 -0.00012 -0.00002 -0.00002 -0.00039 169 4YY -0.00001 0.00005 0.00001 0.00000 -0.00023 170 4ZZ 0.00003 0.00008 0.00002 -0.00004 0.00048 171 4XY -0.00002 -0.00001 0.00000 0.00001 -0.00024 172 4XZ 0.00003 0.00007 0.00001 0.00002 0.00001 173 4YZ 0.00001 0.00001 0.00000 -0.00002 0.00028 174 16 H 1S 0.00007 0.00012 0.00005 -0.00001 0.00095 175 2S 0.00022 0.00030 0.00015 -0.00001 0.00361 176 17 H 1S 0.00003 -0.00020 -0.00012 -0.00002 -0.00193 177 2S -0.00002 -0.00051 -0.00021 -0.00026 -0.00035 178 18 H 1S -0.00011 -0.00008 -0.00013 0.00054 -0.00805 179 2S 0.00018 0.00009 0.00014 0.00048 -0.00416 180 19 H 1S 0.00098 -0.00014 -0.00117 0.00064 0.00507 181 2S 0.00098 0.00087 -0.00114 -0.00220 0.01532 182 20 H 1S -0.00026 -0.00004 -0.00001 0.00004 -0.00257 183 2S -0.00050 -0.00018 0.00031 0.00058 -0.00622 184 21 H 1S 0.00006 0.00017 0.00000 0.00008 -0.00202 185 2S -0.00024 -0.00002 -0.00006 0.00028 -0.00894 186 22 H 1S -0.00157 0.00023 0.00065 -0.00028 -0.00511 187 2S -0.00217 0.00037 0.00047 -0.00097 -0.01065 188 23 H 1S 0.00029 -0.00021 -0.00001 -0.00001 0.00248 189 2S 0.00048 -0.00079 -0.00008 0.00007 0.00447 81 82 83 84 85 81 2S 0.12396 82 9 H 1S -0.00665 0.21549 83 2S 0.00087 0.15285 0.12396 84 10 C 1S 0.00059 0.00083 0.00005 2.05271 85 2S -0.00059 -0.00296 -0.00132 -0.06213 0.32496 86 2PX 0.02536 -0.02682 -0.01967 0.00133 0.00226 87 2PY -0.00062 -0.00212 -0.00411 0.00053 0.00162 88 2PZ -0.01693 0.02058 0.00494 -0.00083 0.00777 89 3S 0.00617 -0.00649 -0.00201 -0.16067 0.24765 90 3PX 0.02183 -0.02163 -0.01156 0.00664 -0.02276 91 3PY 0.00527 -0.00339 -0.00512 0.00378 -0.01621 92 3PZ -0.01227 0.01689 0.00920 0.00494 -0.01459 93 4XX 0.00117 -0.00102 -0.00139 -0.01431 -0.00947 94 4YY -0.00052 0.00002 0.00026 -0.01700 -0.00308 95 4ZZ -0.00024 0.00110 0.00140 -0.01612 -0.00535 96 4XY -0.00125 0.00076 0.00166 -0.00088 0.00123 97 4XZ 0.00024 -0.00068 -0.00025 -0.00455 0.00944 98 4YZ 0.00070 -0.00057 -0.00089 -0.00203 0.00342 99 11 C 1S 0.00005 0.00040 0.00059 0.01672 -0.03254 100 2S -0.00132 -0.00107 -0.00059 -0.03254 0.05577 101 2PX -0.01968 0.00591 0.02536 0.00480 -0.01029 102 2PY 0.00412 0.00079 0.00061 0.07797 -0.16058 103 2PZ 0.00495 -0.00432 -0.01693 -0.00359 0.00090 104 3S -0.00200 0.00813 0.00618 -0.00468 0.03451 105 3PX -0.01156 0.00940 0.02183 0.00094 0.00533 106 3PY 0.00512 -0.00345 -0.00528 0.01400 -0.04349 107 3PZ 0.00921 -0.00179 -0.01227 -0.00371 0.00939 108 4XX -0.00140 0.00094 0.00117 0.00249 -0.00552 109 4YY 0.00026 -0.00043 -0.00052 -0.00695 0.01218 110 4ZZ 0.00140 -0.00018 -0.00024 0.00269 -0.00612 111 4XY -0.00166 0.00129 0.00125 -0.00016 -0.00021 112 4XZ -0.00025 0.00016 0.00024 0.00058 -0.00150 113 4YZ 0.00089 -0.00121 -0.00070 -0.00018 -0.00010 114 12 C 1S 0.00674 -0.00217 -0.00428 -0.00340 0.00831 115 2S -0.01323 0.00570 0.00822 0.00823 -0.01879 116 2PX -0.02736 0.01886 0.02244 -0.00832 0.02655 117 2PY 0.00706 -0.00820 -0.01240 -0.01167 0.02675 118 2PZ 0.02822 -0.01269 -0.02171 -0.00446 0.01369 119 3S -0.02511 0.00326 0.00516 0.00597 -0.02039 120 3PX -0.02492 0.01990 0.02251 -0.00436 0.01395 121 3PY 0.01126 0.00386 0.00369 -0.00283 0.01068 122 3PZ 0.01827 -0.01165 -0.01651 -0.00411 0.00852 123 4XX 0.00128 -0.00039 -0.00119 0.00055 -0.00122 124 4YY -0.00061 -0.00023 -0.00023 -0.00184 0.00439 125 4ZZ 0.00053 0.00048 0.00102 0.00071 -0.00116 126 4XY 0.00025 0.00024 0.00025 -0.00099 0.00185 127 4XZ -0.00071 0.00001 0.00013 0.00063 -0.00122 128 4YZ -0.00067 -0.00028 -0.00010 -0.00075 0.00145 129 13 C 1S 0.00048 -0.00132 -0.00232 -0.00267 0.00503 130 2S 0.00573 0.00099 0.00125 0.00479 -0.00883 131 2PX 0.00505 -0.00111 -0.00626 -0.00207 0.00443 132 2PY -0.00098 -0.00171 -0.00757 -0.00390 0.00856 133 2PZ -0.00802 -0.00124 -0.00091 -0.00787 0.01255 134 3S -0.00089 0.01425 0.01825 0.01324 -0.02297 135 3PX -0.00371 0.00070 -0.00230 -0.00105 0.00171 136 3PY 0.00288 -0.00473 -0.00674 -0.00348 0.00737 137 3PZ -0.00756 -0.00306 -0.00338 -0.00485 0.00736 138 4XX 0.00068 -0.00050 -0.00091 -0.00029 0.00034 139 4YY 0.00064 -0.00037 -0.00020 -0.00010 0.00024 140 4ZZ -0.00135 0.00053 0.00066 0.00024 -0.00041 141 4XY 0.00020 0.00014 -0.00005 0.00007 -0.00035 142 4XZ 0.00175 -0.00044 -0.00083 0.00019 -0.00044 143 4YZ -0.00041 0.00009 0.00029 0.00020 -0.00081 144 14 C 1S -0.00232 0.00046 0.00048 -0.00300 0.00562 145 2S 0.00125 0.00109 0.00573 0.00649 -0.01505 146 2PX -0.00626 0.00160 0.00505 -0.00840 0.02187 147 2PY 0.00757 -0.00109 0.00098 -0.00131 0.00318 148 2PZ -0.00090 -0.00102 -0.00801 -0.01208 0.03132 149 3S 0.01824 -0.00630 -0.00091 0.00759 -0.01647 150 3PX -0.00230 -0.00653 -0.00371 -0.00455 0.00904 151 3PY 0.00674 -0.00366 -0.00288 -0.00411 0.00872 152 3PZ -0.00337 -0.00269 -0.00755 -0.00802 0.01864 153 4XX -0.00091 0.00098 0.00068 -0.00114 0.00235 154 4YY -0.00020 0.00039 0.00064 0.00068 -0.00152 155 4ZZ 0.00066 -0.00090 -0.00135 -0.00030 0.00016 156 4XY 0.00005 0.00011 -0.00020 0.00024 -0.00073 157 4XZ -0.00083 0.00130 0.00175 -0.00130 0.00292 158 4YZ -0.00029 0.00010 0.00041 0.00054 -0.00141 159 15 C 1S -0.00428 0.00600 0.00674 0.01788 -0.03602 160 2S 0.00822 -0.01491 -0.01323 -0.03384 0.06176 161 2PX 0.02244 -0.02504 -0.02735 0.05514 -0.11749 162 2PY 0.01240 -0.00207 -0.00707 -0.03906 0.07547 163 2PZ -0.02171 0.02148 0.02821 0.04363 -0.08979 164 3S 0.00517 -0.01939 -0.02509 -0.00917 0.03347 165 3PX 0.02251 -0.02450 -0.02492 0.01230 -0.03508 166 3PY -0.00369 -0.00643 -0.01125 -0.00984 0.02574 167 3PZ -0.01651 0.01187 0.01827 0.00436 -0.01208 168 4XX -0.00119 0.00237 0.00128 -0.00196 0.00317 169 4YY -0.00023 -0.00130 -0.00061 0.00153 -0.00338 170 4ZZ 0.00102 0.00016 0.00053 0.00017 -0.00118 171 4XY -0.00025 -0.00041 -0.00025 0.00334 -0.00665 172 4XZ 0.00013 -0.00177 -0.00071 -0.00415 0.00766 173 4YZ 0.00010 0.00041 0.00067 0.00299 -0.00599 174 16 H 1S -0.00010 -0.00193 0.00431 -0.06016 0.11224 175 2S 0.00234 -0.00036 0.00495 -0.01303 0.02496 176 17 H 1S 0.00432 0.00095 -0.00010 0.01228 -0.02562 177 2S 0.00495 0.00362 0.00234 0.01464 -0.02568 178 18 H 1S -0.00435 -0.00202 -0.00284 -0.00849 0.01865 179 2S -0.00116 -0.00894 -0.01063 -0.01195 0.02528 180 19 H 1S 0.00721 -0.00256 -0.00697 -0.00059 0.00017 181 2S 0.01712 -0.00622 -0.01088 -0.00092 -0.00024 182 20 H 1S -0.00697 0.00507 0.00721 -0.00759 0.01927 183 2S -0.01089 0.01533 0.01713 -0.01116 0.02904 184 21 H 1S -0.00285 -0.00804 -0.00434 0.01211 -0.02454 185 2S -0.01062 -0.00415 -0.00116 0.01361 -0.02472 186 22 H 1S -0.00977 0.00248 0.00465 -0.00137 0.00184 187 2S -0.01718 0.00447 0.00591 -0.00228 0.00336 188 23 H 1S 0.00465 -0.00511 -0.00977 0.00157 -0.00346 189 2S 0.00591 -0.01065 -0.01717 0.00141 -0.00404 86 87 88 89 90 86 2PX 0.36897 87 2PY 0.00011 0.41335 88 2PZ 0.03333 -0.00266 0.39022 89 3S -0.01951 0.01123 -0.02947 0.25008 90 3PX 0.18139 0.01273 -0.07523 -0.00530 0.11998 91 3PY 0.01321 0.13842 -0.02578 0.00772 0.02130 92 3PZ -0.05968 -0.00572 0.16792 -0.01273 -0.06577 93 4XX 0.00800 -0.00593 -0.00344 -0.00562 0.00526 94 4YY -0.00427 0.01307 -0.00039 -0.00311 -0.00157 95 4ZZ -0.00689 -0.01026 -0.00257 -0.00246 -0.00264 96 4XY -0.00498 0.00025 -0.01075 0.00261 0.00016 97 4XZ -0.00068 -0.00920 -0.00219 0.00814 -0.00041 98 4YZ -0.00949 -0.00195 -0.01031 0.00706 -0.00159 99 11 C 1S 0.00478 -0.07797 -0.00360 -0.00467 0.00094 100 2S -0.01027 0.16058 0.00092 0.03450 0.00533 101 2PX 0.11572 -0.00853 -0.08834 -0.00798 0.08530 102 2PY 0.00847 -0.31237 -0.00042 -0.12660 0.01486 103 2PZ -0.08833 0.00038 0.08702 0.05752 -0.03723 104 3S -0.00796 0.12659 0.05755 -0.01750 -0.01591 105 3PX 0.08530 -0.01488 -0.03723 -0.01591 0.04726 106 3PY 0.01550 -0.09114 -0.01192 -0.01404 0.01987 107 3PZ -0.04784 -0.01856 0.07391 0.02529 -0.03342 108 4XX 0.00010 -0.00873 -0.00017 -0.00630 -0.00086 109 4YY 0.00109 0.00580 0.00050 0.01205 -0.00009 110 4ZZ 0.00091 -0.00925 -0.00155 -0.00574 0.00114 111 4XY -0.01297 -0.00145 0.00018 0.00225 -0.00623 112 4XZ 0.00061 -0.00312 0.00043 -0.00359 0.00029 113 4YZ -0.00005 0.00022 -0.01358 0.00428 0.00435 114 12 C 1S 0.00083 0.01224 0.00587 -0.00303 -0.00672 115 2S -0.00174 -0.03290 -0.01501 -0.01977 0.00622 116 2PX -0.00638 0.03169 0.02711 -0.05034 -0.04989 117 2PY 0.00246 0.03373 0.00710 0.09132 0.00085 118 2PZ 0.02038 0.01505 -0.00551 -0.01050 0.00961 119 3S -0.03770 -0.02415 -0.04547 -0.00894 -0.00719 120 3PX -0.00490 0.01849 0.03621 -0.03722 -0.03354 121 3PY 0.00152 -0.00564 0.01117 0.02368 -0.00136 122 3PZ 0.03958 0.02545 -0.01414 0.01302 0.03089 123 4XX -0.00654 -0.00245 0.00490 -0.00039 -0.00408 124 4YY 0.00163 0.00978 0.00043 0.00672 0.00057 125 4ZZ 0.00388 -0.00241 -0.00350 -0.00419 0.00209 126 4XY -0.00106 0.00569 0.00147 0.00341 0.00024 127 4XZ 0.00247 -0.00138 -0.00179 -0.00159 0.00231 128 4YZ 0.00231 0.00452 -0.00111 0.00237 0.00190 129 13 C 1S 0.00128 0.00375 0.00577 0.01091 0.00010 130 2S 0.00214 -0.00681 -0.01509 -0.02105 0.00217 131 2PX -0.00674 0.00763 0.00881 0.01311 -0.00580 132 2PY 0.02848 -0.01161 0.00381 0.01905 0.01993 133 2PZ -0.01132 0.02367 0.02037 0.07872 0.00222 134 3S -0.02357 -0.03017 -0.00945 -0.06109 -0.01894 135 3PX -0.00051 0.00183 0.00166 0.00820 -0.00075 136 3PY 0.02761 -0.00892 -0.00192 0.01690 0.01748 137 3PZ -0.00613 0.02432 0.00452 0.04098 0.00212 138 4XX -0.00037 -0.00022 0.00077 0.00343 0.00067 139 4YY 0.00061 0.00192 -0.00177 0.00111 0.00062 140 4ZZ 0.00010 -0.00197 0.00059 -0.00283 -0.00075 141 4XY -0.00023 0.00100 -0.00059 -0.00078 -0.00013 142 4XZ 0.00102 -0.00088 -0.00064 -0.00001 0.00164 143 4YZ -0.00128 0.00015 -0.00008 0.00127 0.00001 144 14 C 1S 0.00514 -0.00155 0.01145 0.00522 0.00086 145 2S -0.01444 0.00592 -0.02805 -0.00898 0.00033 146 2PX -0.00067 -0.01088 0.03290 0.02769 -0.00835 147 2PY 0.00228 0.00421 0.00688 -0.00917 -0.00778 148 2PZ 0.04903 -0.00703 0.02307 0.00219 0.01027 149 3S 0.00174 -0.01091 -0.07811 0.01674 0.02532 150 3PX -0.00128 -0.00744 0.01497 0.00630 -0.00640 151 3PY 0.00734 0.00450 0.02096 0.01091 -0.00283 152 3PZ 0.04076 0.00837 0.02261 -0.00609 0.00784 153 4XX -0.00086 -0.00219 0.00526 0.00156 -0.00186 154 4YY -0.00310 0.00171 -0.00200 -0.00276 -0.00146 155 4ZZ 0.00630 -0.00095 -0.00133 0.00089 0.00367 156 4XY -0.00134 -0.00013 0.00012 -0.00124 -0.00085 157 4XZ -0.00156 -0.00304 0.00928 0.00203 -0.00284 158 4YZ -0.00384 0.00173 -0.00056 0.00073 -0.00128 159 15 C 1S -0.05991 0.03621 -0.04300 0.01166 -0.00739 160 2S 0.12166 -0.07536 0.08347 0.01682 0.03363 161 2PX 0.00709 0.13526 -0.24258 -0.04580 0.07528 162 2PY 0.13787 -0.05076 0.06404 0.10482 0.06145 163 2PZ -0.21173 0.08012 -0.01510 -0.05015 -0.08999 164 3S 0.13110 -0.05002 0.09080 -0.02630 0.02878 165 3PX 0.04975 0.06232 -0.12907 0.00785 0.06573 166 3PY 0.05358 -0.00541 0.02377 0.01881 0.01760 167 3PZ -0.09571 0.03267 0.02879 -0.00661 -0.05088 168 4XX -0.01090 -0.00515 0.00700 0.00431 -0.00751 169 4YY -0.00154 0.01234 -0.00144 -0.00596 -0.00072 170 4ZZ 0.00180 -0.00099 -0.01328 0.00226 0.00471 171 4XY -0.00346 -0.00259 -0.00806 -0.00401 0.00042 172 4XZ 0.00321 -0.00661 0.00046 0.00598 0.00115 173 4YZ -0.00806 -0.00166 -0.00179 -0.00437 -0.00323 174 16 H 1S -0.13266 -0.13074 -0.18748 0.11509 -0.03242 175 2S -0.12152 -0.11783 -0.18086 0.05423 -0.01789 176 17 H 1S 0.01875 -0.04295 0.01318 -0.06039 -0.00249 177 2S 0.03388 -0.08634 0.03936 -0.06761 -0.00573 178 18 H 1S 0.00146 0.03521 0.00130 0.05609 0.00089 179 2S 0.01056 0.06878 0.00305 0.06423 0.00666 180 19 H 1S 0.00193 0.00229 -0.00060 0.01949 0.00704 181 2S 0.00532 0.00698 -0.00760 0.02802 0.01616 182 20 H 1S 0.00233 -0.01533 0.03244 0.01769 -0.00668 183 2S -0.00205 -0.02105 0.07096 0.02302 -0.01669 184 21 H 1S -0.02454 0.03576 -0.01200 -0.06200 -0.01712 185 2S -0.04780 0.07143 -0.01045 -0.05922 -0.02896 186 22 H 1S -0.00285 -0.00018 0.00657 0.02056 0.00050 187 2S -0.01502 -0.00379 0.01956 0.01847 -0.01193 188 23 H 1S 0.02933 0.00309 -0.02865 -0.01229 0.01935 189 2S 0.02931 -0.00014 -0.02535 -0.01121 0.01789 91 92 93 94 95 91 3PY 0.06236 92 3PZ -0.01395 0.09329 93 4XX 0.00006 -0.00248 0.00092 94 4YY 0.00297 0.00079 -0.00023 0.00114 95 4ZZ -0.00301 0.00047 0.00022 -0.00019 0.00089 96 4XY -0.00037 -0.00330 -0.00019 0.00000 0.00032 97 4XZ -0.00261 -0.00111 -0.00007 -0.00048 0.00026 98 4YZ 0.00072 -0.00212 0.00003 -0.00014 0.00011 99 11 C 1S -0.01400 -0.00371 0.00249 -0.00695 0.00269 100 2S 0.04348 0.00940 -0.00552 0.01218 -0.00612 101 2PX -0.01553 -0.04784 0.00011 0.00108 0.00091 102 2PY -0.09114 0.01854 0.00873 -0.00580 0.00925 103 2PZ 0.01190 0.07391 -0.00017 0.00050 -0.00154 104 3S 0.01403 0.02529 -0.00630 0.01205 -0.00574 105 3PX -0.01988 -0.03342 -0.00086 -0.00009 0.00114 106 3PY -0.01363 0.00058 0.00383 -0.00269 0.00259 107 3PZ -0.00058 0.04481 0.00015 -0.00090 -0.00105 108 4XX -0.00383 0.00015 0.00022 -0.00029 0.00036 109 4YY 0.00269 -0.00090 -0.00029 -0.00016 -0.00028 110 4ZZ -0.00259 -0.00106 0.00036 -0.00028 0.00033 111 4XY -0.00083 0.00341 -0.00031 0.00013 0.00028 112 4XZ -0.00186 0.00022 0.00000 0.00023 0.00005 113 4YZ 0.00192 -0.00545 0.00020 -0.00009 0.00003 114 12 C 1S 0.00510 -0.00511 0.00018 -0.00096 -0.00025 115 2S -0.01885 -0.00130 -0.00040 0.00214 0.00080 116 2PX -0.02123 -0.00966 -0.00314 -0.00147 0.00075 117 2PY 0.05079 -0.00106 0.00096 -0.00421 -0.00076 118 2PZ 0.00766 -0.02947 0.00187 -0.00324 -0.00147 119 3S -0.01227 -0.00388 0.00002 0.00135 0.00112 120 3PX -0.01960 0.00655 -0.00305 0.00079 0.00046 121 3PY 0.00590 0.00063 -0.00037 -0.00088 0.00001 122 3PZ 0.01855 -0.02248 0.00162 -0.00087 -0.00208 123 4XX -0.00039 0.00387 0.00008 0.00005 -0.00004 124 4YY 0.00498 -0.00061 -0.00015 -0.00003 -0.00027 125 4ZZ -0.00247 -0.00267 0.00001 -0.00001 0.00015 126 4XY 0.00201 0.00151 -0.00021 0.00031 -0.00018 127 4XZ -0.00038 -0.00107 0.00001 0.00021 0.00003 128 4YZ 0.00139 -0.00022 -0.00008 0.00023 -0.00018 129 13 C 1S 0.00349 0.00343 0.00000 -0.00020 -0.00037 130 2S -0.00597 -0.00990 0.00002 0.00036 0.00057 131 2PX 0.01726 0.00098 0.00032 0.00065 -0.00085 132 2PY -0.00709 -0.00331 0.00082 -0.00190 0.00047 133 2PZ 0.02448 0.03398 -0.00066 0.00059 -0.00074 134 3S -0.02945 -0.00435 -0.00152 0.00205 0.00193 135 3PX 0.00912 -0.00002 0.00052 -0.00004 -0.00043 136 3PY -0.00055 -0.00540 0.00108 -0.00223 0.00055 137 3PZ 0.01698 0.01556 -0.00033 0.00057 -0.00069 138 4XX 0.00109 0.00115 0.00006 0.00000 -0.00005 139 4YY 0.00183 -0.00139 0.00004 -0.00008 0.00000 140 4ZZ -0.00254 0.00033 -0.00006 0.00004 0.00005 141 4XY 0.00123 -0.00081 -0.00002 0.00002 0.00008 142 4XZ 0.00060 -0.00082 0.00009 0.00005 -0.00005 143 4YZ 0.00086 0.00131 0.00003 -0.00008 0.00019 144 14 C 1S -0.00403 0.00805 -0.00046 0.00081 -0.00156 145 2S 0.00849 -0.01522 0.00036 -0.00158 0.00302 146 2PX -0.02937 0.02849 -0.00027 0.00138 -0.00378 147 2PY 0.00648 0.00236 -0.00009 0.00124 -0.00210 148 2PZ -0.03196 -0.00731 -0.00133 0.00397 -0.00733 149 3S 0.02143 -0.03851 0.00276 -0.00435 0.00350 150 3PX -0.01540 0.01190 -0.00006 0.00070 -0.00170 151 3PY 0.00708 0.00932 0.00007 -0.00008 -0.00119 152 3PZ -0.01122 -0.00484 -0.00042 0.00203 -0.00434 153 4XX -0.00297 0.00260 -0.00019 0.00007 -0.00013 154 4YY -0.00003 -0.00033 -0.00015 0.00035 -0.00005 155 4ZZ 0.00189 -0.00193 0.00036 -0.00033 0.00002 156 4XY 0.00104 -0.00037 -0.00004 0.00002 0.00015 157 4XZ -0.00235 0.00493 -0.00027 -0.00010 0.00019 158 4YZ 0.00183 0.00127 -0.00005 0.00011 0.00019 159 15 C 1S 0.00605 0.00475 -0.00160 0.00118 -0.00024 160 2S -0.00950 0.00613 0.00278 -0.00343 0.00008 161 2PX 0.09236 -0.09987 0.00836 0.00219 -0.00219 162 2PY 0.00966 0.00562 0.00424 -0.01331 0.00189 163 2PZ 0.03205 0.03879 -0.00521 0.00246 0.01017 164 3S -0.00108 0.00199 0.00396 -0.00287 -0.00162 165 3PX 0.05178 -0.06093 0.00568 -0.00025 -0.00269 166 3PY 0.00217 -0.00261 0.00159 -0.00408 -0.00056 167 3PZ -0.00023 0.03337 -0.00483 0.00198 0.00448 168 4XX -0.00330 0.00592 -0.00025 -0.00020 0.00012 169 4YY 0.00312 -0.00082 -0.00024 0.00096 -0.00047 170 4ZZ 0.00133 -0.00632 0.00025 -0.00037 0.00030 171 4XY 0.00006 -0.00233 0.00028 -0.00009 0.00028 172 4XZ -0.00283 -0.00064 -0.00009 -0.00031 0.00010 173 4YZ 0.00034 0.00096 0.00001 0.00002 0.00044 174 16 H 1S -0.03911 -0.05972 -0.00192 -0.00407 0.00550 175 2S -0.02557 -0.05144 0.00069 -0.00362 0.00647 176 17 H 1S -0.01989 -0.00279 0.00081 0.00186 0.00079 177 2S -0.03824 0.00226 0.00160 -0.00151 0.00192 178 18 H 1S 0.03258 -0.00069 -0.00029 -0.00127 -0.00082 179 2S 0.04800 -0.00210 -0.00007 -0.00118 -0.00192 180 19 H 1S 0.01407 0.00038 0.00055 0.00013 -0.00008 181 2S 0.02154 -0.00396 0.00080 0.00006 -0.00013 182 20 H 1S -0.02873 0.01867 -0.00089 0.00033 -0.00156 183 2S -0.03782 0.03879 -0.00252 0.00077 -0.00124 184 21 H 1S 0.00229 -0.00667 -0.00145 0.00806 -0.00273 185 2S 0.00593 -0.00120 -0.00308 0.00889 -0.00329 186 22 H 1S -0.00488 0.01533 -0.00054 -0.00031 0.00069 187 2S -0.00768 0.02317 -0.00055 -0.00064 0.00071 188 23 H 1S 0.00435 -0.03018 0.00081 -0.00014 -0.00072 189 2S 0.00455 -0.02564 0.00164 -0.00013 -0.00169 96 97 98 99 100 96 4XY 0.00095 97 4XZ 0.00017 0.00067 98 4YZ 0.00042 0.00028 0.00117 99 11 C 1S 0.00016 0.00058 0.00018 2.05271 100 2S 0.00021 -0.00150 0.00010 -0.06213 0.32496 101 2PX 0.01297 0.00061 0.00005 0.00133 0.00226 102 2PY -0.00146 0.00312 0.00021 -0.00053 -0.00162 103 2PZ -0.00018 0.00043 0.01358 -0.00083 0.00777 104 3S -0.00225 -0.00359 -0.00428 -0.16067 0.24765 105 3PX 0.00623 0.00029 -0.00435 0.00664 -0.02275 106 3PY -0.00083 0.00186 0.00192 -0.00378 0.01622 107 3PZ -0.00341 0.00022 0.00545 0.00494 -0.01459 108 4XX 0.00031 0.00000 -0.00020 -0.01431 -0.00947 109 4YY -0.00013 0.00023 0.00009 -0.01700 -0.00308 110 4ZZ -0.00028 0.00005 -0.00003 -0.01612 -0.00535 111 4XY 0.00043 0.00005 0.00050 0.00088 -0.00123 112 4XZ -0.00005 0.00004 -0.00011 -0.00455 0.00944 113 4YZ 0.00050 0.00011 0.00081 0.00203 -0.00343 114 12 C 1S -0.00180 -0.00009 -0.00116 0.01788 -0.03602 115 2S 0.00376 0.00016 0.00224 -0.03384 0.06176 116 2PX 0.00179 -0.00173 -0.01077 0.05515 -0.11750 117 2PY -0.00591 0.00001 -0.00219 0.03904 -0.07544 118 2PZ -0.00819 -0.00049 0.00079 0.04364 -0.08981 119 3S 0.00563 0.00037 0.00433 -0.00917 0.03347 120 3PX 0.00236 -0.00133 -0.00703 0.01230 -0.03508 121 3PY -0.00276 -0.00020 -0.00146 0.00984 -0.02572 122 3PZ -0.00457 -0.00042 0.00175 0.00436 -0.01209 123 4XX -0.00039 -0.00001 0.00032 -0.00196 0.00317 124 4YY -0.00013 -0.00009 -0.00012 0.00153 -0.00338 125 4ZZ 0.00015 -0.00001 -0.00047 0.00017 -0.00118 126 4XY 0.00009 -0.00005 0.00023 -0.00334 0.00665 127 4XZ 0.00008 0.00004 0.00001 -0.00415 0.00766 128 4YZ 0.00029 -0.00004 0.00003 -0.00299 0.00599 129 13 C 1S 0.00004 0.00009 0.00021 -0.00300 0.00562 130 2S -0.00040 -0.00017 -0.00066 0.00650 -0.01505 131 2PX -0.00037 -0.00006 0.00122 -0.00839 0.02187 132 2PY 0.00034 0.00073 -0.00083 0.00131 -0.00319 133 2PZ 0.00159 0.00000 0.00019 -0.01208 0.03132 134 3S 0.00050 -0.00079 -0.00335 0.00759 -0.01647 135 3PX -0.00021 0.00014 0.00073 -0.00454 0.00903 136 3PY 0.00015 0.00102 -0.00066 0.00411 -0.00873 137 3PZ 0.00145 -0.00003 0.00060 -0.00802 0.01863 138 4XX -0.00006 0.00003 0.00020 -0.00114 0.00235 139 4YY -0.00012 0.00001 0.00000 0.00068 -0.00152 140 4ZZ 0.00026 -0.00002 -0.00013 -0.00030 0.00016 141 4XY 0.00008 0.00002 0.00000 -0.00024 0.00073 142 4XZ -0.00014 0.00004 0.00038 -0.00130 0.00293 143 4YZ 0.00027 0.00018 0.00006 -0.00054 0.00141 144 14 C 1S -0.00079 -0.00073 -0.00027 -0.00267 0.00503 145 2S 0.00173 0.00157 0.00069 0.00479 -0.00883 146 2PX -0.00102 -0.00129 -0.00015 -0.00207 0.00444 147 2PY -0.00250 -0.00115 0.00024 0.00390 -0.00856 148 2PZ -0.00401 -0.00608 -0.00074 -0.00786 0.01255 149 3S 0.00172 0.00278 0.00357 0.01324 -0.02297 150 3PX -0.00039 -0.00060 -0.00017 -0.00106 0.00172 151 3PY -0.00209 -0.00026 -0.00024 0.00348 -0.00738 152 3PZ -0.00270 -0.00305 -0.00127 -0.00485 0.00736 153 4XX -0.00006 -0.00013 -0.00012 -0.00029 0.00034 154 4YY 0.00000 -0.00017 -0.00008 -0.00010 0.00024 155 4ZZ -0.00010 0.00024 0.00004 0.00024 -0.00041 156 4XY 0.00001 0.00004 -0.00002 -0.00007 0.00035 157 4XZ 0.00001 0.00024 -0.00032 0.00019 -0.00044 158 4YZ 0.00008 0.00012 -0.00005 -0.00020 0.00082 159 15 C 1S 0.00373 -0.00330 0.00332 -0.00340 0.00831 160 2S -0.00671 0.00637 -0.00626 0.00823 -0.01880 161 2PX 0.00235 -0.00296 0.00857 -0.00832 0.02655 162 2PY 0.00163 0.00724 0.00162 0.01167 -0.02675 163 2PZ 0.00838 0.00074 0.00096 -0.00446 0.01368 164 3S -0.00854 0.00402 -0.00762 0.00597 -0.02038 165 3PX -0.00001 -0.00054 0.00548 -0.00436 0.01394 166 3PY 0.00027 0.00162 0.00012 0.00283 -0.01068 167 3PZ 0.00455 0.00042 -0.00162 -0.00411 0.00852 168 4XX 0.00005 0.00004 0.00034 0.00055 -0.00122 169 4YY -0.00024 -0.00056 -0.00029 -0.00184 0.00439 170 4ZZ 0.00056 0.00018 0.00043 0.00071 -0.00116 171 4XY 0.00027 -0.00003 0.00026 0.00099 -0.00185 172 4XZ 0.00010 0.00045 -0.00003 0.00063 -0.00122 173 4YZ 0.00010 0.00005 0.00013 0.00075 -0.00145 174 16 H 1S 0.00785 0.00828 0.01087 0.01228 -0.02562 175 2S 0.00774 0.00608 0.01062 0.01464 -0.02568 176 17 H 1S -0.00512 -0.00002 -0.00716 -0.06016 0.11224 177 2S -0.00529 0.00049 -0.00783 -0.01303 0.02496 178 18 H 1S -0.00167 -0.00028 -0.00090 0.01211 -0.02454 179 2S -0.00249 -0.00048 -0.00055 0.01361 -0.02472 180 19 H 1S 0.00000 0.00035 0.00131 -0.00759 0.01927 181 2S -0.00028 0.00060 0.00304 -0.01116 0.02904 182 20 H 1S -0.00015 -0.00073 -0.00083 -0.00059 0.00017 183 2S -0.00045 -0.00081 -0.00265 -0.00092 -0.00024 184 21 H 1S -0.00411 -0.00313 -0.00349 -0.00849 0.01865 185 2S -0.00215 -0.00474 -0.00262 -0.01195 0.02528 186 22 H 1S 0.00159 0.00023 -0.00150 0.00158 -0.00347 187 2S 0.00181 0.00036 -0.00143 0.00142 -0.00405 188 23 H 1S -0.00062 -0.00133 0.00077 -0.00137 0.00184 189 2S -0.00141 -0.00151 0.00146 -0.00228 0.00336 101 102 103 104 105 101 2PX 0.36897 102 2PY -0.00011 0.41335 103 2PZ 0.03332 0.00266 0.39023 104 3S -0.01951 -0.01122 -0.02947 0.25010 105 3PX 0.18140 -0.01273 -0.07523 -0.00529 0.11999 106 3PY -0.01321 0.13842 0.02579 -0.00772 -0.02131 107 3PZ -0.05969 0.00573 0.16793 -0.01273 -0.06578 108 4XX 0.00801 0.00593 -0.00344 -0.00562 0.00526 109 4YY -0.00428 -0.01307 -0.00040 -0.00311 -0.00157 110 4ZZ -0.00689 0.01026 -0.00256 -0.00246 -0.00263 111 4XY 0.00498 0.00024 0.01075 -0.00261 -0.00016 112 4XZ -0.00068 0.00920 -0.00218 0.00814 -0.00040 113 4YZ 0.00949 -0.00196 0.01031 -0.00706 0.00159 114 12 C 1S -0.05992 -0.03620 -0.04301 0.01167 -0.00739 115 2S 0.12167 0.07533 0.08348 0.01681 0.03363 116 2PX 0.00705 -0.13524 -0.24261 -0.04583 0.07525 117 2PY -0.13784 -0.05069 -0.06401 -0.10480 -0.06145 118 2PZ -0.21177 -0.08010 -0.01514 -0.05017 -0.09000 119 3S 0.13112 0.04998 0.09079 -0.02632 0.02878 120 3PX 0.04973 -0.06231 -0.12909 0.00784 0.06572 121 3PY -0.05356 -0.00538 -0.02375 -0.01880 -0.01760 122 3PZ -0.09572 -0.03266 0.02876 -0.00661 -0.05088 123 4XX -0.01089 0.00515 0.00700 0.00431 -0.00751 124 4YY -0.00154 -0.01234 -0.00144 -0.00597 -0.00072 125 4ZZ 0.00180 0.00099 -0.01328 0.00227 0.00471 126 4XY 0.00346 -0.00260 0.00806 0.00401 -0.00042 127 4XZ 0.00321 0.00661 0.00046 0.00598 0.00115 128 4YZ 0.00806 -0.00167 0.00180 0.00437 0.00323 129 13 C 1S 0.00514 0.00155 0.01145 0.00523 0.00086 130 2S -0.01443 -0.00591 -0.02805 -0.00899 0.00033 131 2PX -0.00068 0.01087 0.03290 0.02771 -0.00835 132 2PY -0.00229 0.00421 -0.00689 0.00917 0.00779 133 2PZ 0.04903 0.00702 0.02307 0.00220 0.01028 134 3S 0.00175 0.01090 -0.07810 0.01674 0.02532 135 3PX -0.00129 0.00744 0.01496 0.00631 -0.00640 136 3PY -0.00735 0.00451 -0.02097 -0.01091 0.00284 137 3PZ 0.04076 -0.00838 0.02259 -0.00610 0.00785 138 4XX -0.00086 0.00219 0.00526 0.00156 -0.00185 139 4YY -0.00310 -0.00171 -0.00200 -0.00276 -0.00146 140 4ZZ 0.00630 0.00095 -0.00133 0.00089 0.00367 141 4XY 0.00134 -0.00013 -0.00012 0.00124 0.00085 142 4XZ -0.00156 0.00304 0.00928 0.00203 -0.00284 143 4YZ 0.00384 0.00173 0.00056 -0.00073 0.00128 144 14 C 1S 0.00128 -0.00375 0.00577 0.01091 0.00010 145 2S 0.00214 0.00681 -0.01508 -0.02105 0.00217 146 2PX -0.00674 -0.00763 0.00881 0.01314 -0.00580 147 2PY -0.02849 -0.01160 -0.00380 -0.01907 -0.01994 148 2PZ -0.01133 -0.02367 0.02037 0.07871 0.00221 149 3S -0.02357 0.03019 -0.00944 -0.06109 -0.01894 150 3PX -0.00051 -0.00183 0.00167 0.00822 -0.00075 151 3PY -0.02761 -0.00890 0.00192 -0.01691 -0.01748 152 3PZ -0.00616 -0.02432 0.00454 0.04098 0.00210 153 4XX -0.00037 0.00022 0.00077 0.00343 0.00067 154 4YY 0.00060 -0.00192 -0.00177 0.00111 0.00062 155 4ZZ 0.00010 0.00197 0.00059 -0.00283 -0.00075 156 4XY 0.00023 0.00100 0.00059 0.00078 0.00013 157 4XZ 0.00102 0.00088 -0.00064 -0.00001 0.00164 158 4YZ 0.00128 0.00015 0.00008 -0.00127 -0.00001 159 15 C 1S 0.00083 -0.01224 0.00586 -0.00303 -0.00672 160 2S -0.00174 0.03290 -0.01501 -0.01977 0.00622 161 2PX -0.00638 -0.03169 0.02711 -0.05037 -0.04990 162 2PY -0.00246 0.03375 -0.00710 -0.09131 -0.00083 163 2PZ 0.02038 -0.01505 -0.00551 -0.01050 0.00962 164 3S -0.03771 0.02417 -0.04544 -0.00893 -0.00720 165 3PX -0.00491 -0.01850 0.03621 -0.03723 -0.03354 166 3PY -0.00154 -0.00563 -0.01117 -0.02368 0.00135 167 3PZ 0.03958 -0.02546 -0.01415 0.01303 0.03090 168 4XX -0.00654 0.00245 0.00489 -0.00039 -0.00408 169 4YY 0.00163 -0.00978 0.00043 0.00673 0.00057 170 4ZZ 0.00388 0.00242 -0.00350 -0.00419 0.00209 171 4XY 0.00106 0.00569 -0.00147 -0.00341 -0.00024 172 4XZ 0.00247 0.00138 -0.00179 -0.00159 0.00231 173 4YZ -0.00232 0.00452 0.00111 -0.00237 -0.00190 174 16 H 1S 0.01876 0.04294 0.01319 -0.06039 -0.00249 175 2S 0.03389 0.08633 0.03938 -0.06761 -0.00572 176 17 H 1S -0.13264 0.13079 -0.18747 0.11509 -0.03241 177 2S -0.12150 0.11788 -0.18085 0.05423 -0.01788 178 18 H 1S -0.02455 -0.03575 -0.01201 -0.06200 -0.01712 179 2S -0.04781 -0.07141 -0.01046 -0.05922 -0.02896 180 19 H 1S 0.00234 0.01532 0.03244 0.01770 -0.00667 181 2S -0.00204 0.02105 0.07097 0.02303 -0.01667 182 20 H 1S 0.00194 -0.00229 -0.00061 0.01950 0.00705 183 2S 0.00535 -0.00699 -0.00763 0.02803 0.01618 184 21 H 1S 0.00145 -0.03521 0.00130 0.05609 0.00088 185 2S 0.01054 -0.06878 0.00305 0.06422 0.00664 186 22 H 1S 0.02933 -0.00309 -0.02866 -0.01230 0.01935 187 2S 0.02929 0.00013 -0.02536 -0.01121 0.01788 188 23 H 1S -0.00285 0.00018 0.00657 0.02056 0.00050 189 2S -0.01502 0.00379 0.01956 0.01847 -0.01192 106 107 108 109 110 106 3PY 0.06237 107 3PZ 0.01396 0.09330 108 4XX -0.00006 -0.00248 0.00092 109 4YY -0.00297 0.00079 -0.00023 0.00114 110 4ZZ 0.00301 0.00047 0.00022 -0.00019 0.00089 111 4XY -0.00037 0.00330 0.00019 0.00000 -0.00032 112 4XZ 0.00261 -0.00111 -0.00007 -0.00048 0.00026 113 4YZ 0.00072 0.00212 -0.00003 0.00014 -0.00011 114 12 C 1S -0.00604 0.00475 -0.00161 0.00118 -0.00024 115 2S 0.00949 0.00613 0.00278 -0.00344 0.00008 116 2PX -0.09235 -0.09989 0.00836 0.00220 -0.00219 117 2PY 0.00969 -0.00561 -0.00424 0.01331 -0.00190 118 2PZ -0.03204 0.03878 -0.00521 0.00246 0.01017 119 3S 0.00108 0.00197 0.00396 -0.00287 -0.00161 120 3PX -0.05178 -0.06094 0.00568 -0.00025 -0.00269 121 3PY 0.00218 0.00262 -0.00159 0.00408 0.00056 122 3PZ 0.00023 0.03337 -0.00484 0.00198 0.00448 123 4XX 0.00330 0.00592 -0.00025 -0.00020 0.00012 124 4YY -0.00312 -0.00082 -0.00024 0.00096 -0.00047 125 4ZZ -0.00133 -0.00632 0.00025 -0.00037 0.00030 126 4XY 0.00006 0.00233 -0.00028 0.00009 -0.00028 127 4XZ 0.00283 -0.00064 -0.00010 -0.00031 0.00010 128 4YZ 0.00034 -0.00096 -0.00001 -0.00002 -0.00044 129 13 C 1S 0.00403 0.00806 -0.00046 0.00081 -0.00156 130 2S -0.00849 -0.01522 0.00036 -0.00158 0.00302 131 2PX 0.02935 0.02850 -0.00027 0.00138 -0.00377 132 2PY 0.00646 -0.00236 0.00009 -0.00124 0.00210 133 2PZ 0.03196 -0.00730 -0.00133 0.00397 -0.00733 134 3S -0.02144 -0.03851 0.00276 -0.00435 0.00350 135 3PX 0.01540 0.01190 -0.00006 0.00070 -0.00170 136 3PY 0.00708 -0.00932 -0.00007 0.00008 0.00119 137 3PZ 0.01123 -0.00484 -0.00042 0.00203 -0.00434 138 4XX 0.00296 0.00260 -0.00019 0.00007 -0.00013 139 4YY 0.00003 -0.00033 -0.00015 0.00035 -0.00004 140 4ZZ -0.00188 -0.00192 0.00036 -0.00033 0.00002 141 4XY 0.00104 0.00037 0.00004 -0.00002 -0.00015 142 4XZ 0.00235 0.00494 -0.00027 -0.00010 0.00019 143 4YZ 0.00183 -0.00127 0.00005 -0.00011 -0.00019 144 14 C 1S -0.00349 0.00343 0.00000 -0.00020 -0.00037 145 2S 0.00598 -0.00989 0.00002 0.00036 0.00057 146 2PX -0.01727 0.00099 0.00032 0.00065 -0.00085 147 2PY -0.00707 0.00331 -0.00082 0.00190 -0.00047 148 2PZ -0.02449 0.03397 -0.00066 0.00059 -0.00074 149 3S 0.02946 -0.00434 -0.00151 0.00205 0.00193 150 3PX -0.00912 -0.00001 0.00052 -0.00004 -0.00043 151 3PY -0.00054 0.00540 -0.00108 0.00223 -0.00055 152 3PZ -0.01699 0.01557 -0.00033 0.00057 -0.00069 153 4XX -0.00109 0.00115 0.00006 0.00000 -0.00005 154 4YY -0.00183 -0.00139 0.00004 -0.00008 0.00000 155 4ZZ 0.00254 0.00033 -0.00006 0.00004 0.00005 156 4XY 0.00123 0.00081 0.00002 -0.00002 -0.00008 157 4XZ -0.00060 -0.00082 0.00009 0.00005 -0.00005 158 4YZ 0.00086 -0.00131 -0.00003 0.00008 -0.00019 159 15 C 1S -0.00509 -0.00511 0.00018 -0.00096 -0.00025 160 2S 0.01885 -0.00130 -0.00040 0.00214 0.00080 161 2PX 0.02126 -0.00967 -0.00314 -0.00147 0.00075 162 2PY 0.05080 0.00108 -0.00096 0.00422 0.00076 163 2PZ -0.00765 -0.02947 0.00187 -0.00324 -0.00147 164 3S 0.01227 -0.00386 0.00001 0.00135 0.00112 165 3PX 0.01961 0.00655 -0.00305 0.00079 0.00046 166 3PY 0.00591 -0.00062 0.00037 0.00088 -0.00001 167 3PZ -0.01856 -0.02248 0.00163 -0.00087 -0.00208 168 4XX 0.00039 0.00387 0.00008 0.00005 -0.00004 169 4YY -0.00498 -0.00061 -0.00015 -0.00003 -0.00027 170 4ZZ 0.00247 -0.00267 0.00001 -0.00001 0.00015 171 4XY 0.00201 -0.00151 0.00021 -0.00031 0.00018 172 4XZ 0.00038 -0.00107 0.00001 0.00021 0.00003 173 4YZ 0.00139 0.00022 0.00008 -0.00023 0.00018 174 16 H 1S 0.01989 -0.00279 0.00081 0.00186 0.00080 175 2S 0.03824 0.00226 0.00160 -0.00151 0.00192 176 17 H 1S 0.03912 -0.05971 -0.00192 -0.00407 0.00550 177 2S 0.02559 -0.05144 0.00069 -0.00362 0.00647 178 18 H 1S -0.00229 -0.00667 -0.00145 0.00806 -0.00273 179 2S -0.00593 -0.00120 -0.00308 0.00889 -0.00329 180 19 H 1S 0.02873 0.01867 -0.00089 0.00033 -0.00156 181 2S 0.03781 0.03879 -0.00252 0.00077 -0.00124 182 20 H 1S -0.01408 0.00038 0.00055 0.00013 -0.00008 183 2S -0.02155 -0.00399 0.00080 0.00006 -0.00013 184 21 H 1S -0.03258 -0.00069 -0.00029 -0.00127 -0.00082 185 2S -0.04800 -0.00210 -0.00007 -0.00118 -0.00192 186 22 H 1S -0.00436 -0.03019 0.00081 -0.00014 -0.00072 187 2S -0.00456 -0.02564 0.00164 -0.00013 -0.00169 188 23 H 1S 0.00488 0.01533 -0.00054 -0.00031 0.00069 189 2S 0.00768 0.02316 -0.00055 -0.00064 0.00071 111 112 113 114 115 111 4XY 0.00095 112 4XZ -0.00017 0.00067 113 4YZ 0.00042 -0.00028 0.00117 114 12 C 1S -0.00373 -0.00330 -0.00332 2.05499 115 2S 0.00671 0.00637 0.00625 -0.06133 0.32633 116 2PX -0.00236 -0.00296 -0.00857 0.00315 -0.00484 117 2PY 0.00163 -0.00724 0.00162 -0.00192 -0.00376 118 2PZ -0.00838 0.00074 -0.00096 0.00214 0.00093 119 3S 0.00854 0.00402 0.00762 -0.19781 0.29070 120 3PX 0.00000 -0.00055 -0.00548 -0.00758 0.01604 121 3PY 0.00027 -0.00162 0.00013 0.00758 0.00820 122 3PZ -0.00454 0.00042 0.00162 0.00298 -0.00462 123 4XX -0.00005 0.00004 -0.00034 -0.01132 -0.01296 124 4YY 0.00024 -0.00056 0.00029 -0.01838 0.00158 125 4ZZ -0.00056 0.00018 -0.00043 -0.01398 -0.00730 126 4XY 0.00027 0.00003 0.00026 -0.00162 0.00345 127 4XZ -0.00010 0.00045 0.00003 -0.00249 0.00560 128 4YZ 0.00010 -0.00005 0.00013 0.00081 -0.00153 129 13 C 1S 0.00079 -0.00073 0.00027 0.01252 -0.02297 130 2S -0.00173 0.00157 -0.00069 -0.02336 0.03914 131 2PX 0.00102 -0.00129 0.00015 0.01708 -0.03372 132 2PY -0.00250 0.00116 0.00024 -0.02350 0.04868 133 2PZ 0.00402 -0.00607 0.00075 0.06431 -0.13740 134 3S -0.00172 0.00278 -0.00357 0.00258 0.02396 135 3PX 0.00039 -0.00059 0.00017 0.00270 -0.01328 136 3PY -0.00209 0.00026 -0.00024 -0.00571 0.01148 137 3PZ 0.00270 -0.00305 0.00127 0.01309 -0.04402 138 4XX 0.00006 -0.00013 0.00012 0.00197 -0.00450 139 4YY 0.00000 -0.00017 0.00008 0.00081 -0.00222 140 4ZZ 0.00010 0.00024 -0.00004 -0.00456 0.00848 141 4XY 0.00001 -0.00004 -0.00002 0.00115 -0.00204 142 4XZ -0.00001 0.00024 0.00032 -0.00264 0.00524 143 4YZ 0.00008 -0.00013 -0.00005 0.00410 -0.00767 144 14 C 1S -0.00004 0.00009 -0.00021 -0.00202 0.00420 145 2S 0.00040 -0.00017 0.00066 0.00459 -0.00918 146 2PX 0.00037 -0.00006 -0.00122 -0.00180 0.00337 147 2PY 0.00034 -0.00073 -0.00083 0.01024 -0.02612 148 2PZ -0.00159 0.00000 -0.00019 -0.00336 0.01374 149 3S -0.00050 -0.00078 0.00335 -0.00082 -0.01381 150 3PX 0.00021 0.00014 -0.00073 0.00044 0.00408 151 3PY 0.00015 -0.00102 -0.00066 0.00685 -0.01928 152 3PZ -0.00145 -0.00003 -0.00060 0.00016 0.00716 153 4XX 0.00006 0.00003 -0.00020 -0.00043 0.00105 154 4YY 0.00012 0.00001 0.00000 -0.00057 0.00088 155 4ZZ -0.00026 -0.00002 0.00013 0.00018 -0.00091 156 4XY 0.00008 -0.00002 0.00000 0.00034 -0.00060 157 4XZ 0.00014 0.00004 -0.00038 -0.00007 0.00012 158 4YZ 0.00027 -0.00018 0.00006 0.00151 -0.00341 159 15 C 1S 0.00180 -0.00008 0.00116 -0.00468 0.00678 160 2S -0.00376 0.00016 -0.00224 0.00678 -0.01943 161 2PX -0.00179 -0.00173 0.01077 0.00444 -0.01494 162 2PY -0.00591 -0.00001 -0.00219 0.01024 -0.02846 163 2PZ 0.00819 -0.00049 -0.00079 -0.00218 0.00306 164 3S -0.00563 0.00036 -0.00433 0.02825 -0.03182 165 3PX -0.00236 -0.00133 0.00703 0.00346 -0.01217 166 3PY -0.00276 0.00020 -0.00146 0.01062 -0.00751 167 3PZ 0.00456 -0.00042 -0.00175 -0.00234 0.00645 168 4XX 0.00039 -0.00001 -0.00032 -0.00045 -0.00045 169 4YY 0.00013 -0.00009 0.00012 -0.00084 0.00068 170 4ZZ -0.00015 -0.00001 0.00047 -0.00046 0.00014 171 4XY 0.00009 0.00005 0.00023 -0.00044 0.00070 172 4XZ -0.00008 0.00004 -0.00001 0.00005 0.00038 173 4YZ 0.00029 0.00004 0.00003 0.00001 -0.00004 174 16 H 1S 0.00512 -0.00002 0.00716 -0.00753 0.01707 175 2S 0.00529 0.00049 0.00782 -0.01234 0.02410 176 17 H 1S -0.00785 0.00827 -0.01087 0.01338 -0.02791 177 2S -0.00774 0.00608 -0.01062 0.01887 -0.03229 178 18 H 1S 0.00411 -0.00313 0.00349 -0.05969 0.11295 179 2S 0.00215 -0.00474 0.00263 -0.01311 0.02597 180 19 H 1S 0.00015 -0.00073 0.00083 0.00809 -0.01963 181 2S 0.00046 -0.00081 0.00265 0.01421 -0.02688 182 20 H 1S 0.00000 0.00035 -0.00131 -0.00421 0.01108 183 2S 0.00028 0.00060 -0.00304 -0.00628 0.01442 184 21 H 1S 0.00167 -0.00027 0.00090 -0.00252 0.00795 185 2S 0.00249 -0.00048 0.00055 -0.00361 0.01394 186 22 H 1S 0.00062 -0.00133 -0.00077 0.00810 -0.02346 187 2S 0.00141 -0.00151 -0.00146 0.01255 -0.02988 188 23 H 1S -0.00159 0.00023 0.00150 -0.00194 0.00810 189 2S -0.00181 0.00036 0.00143 -0.00257 0.00829 116 117 118 119 120 116 2PX 0.35439 117 2PY 0.02302 0.41151 118 2PZ 0.04001 -0.00391 0.38399 119 3S 0.01225 0.00351 -0.02807 0.30063 120 3PX 0.19637 -0.01983 -0.03217 0.02129 0.12487 121 3PY 0.00467 0.13002 0.01758 -0.00563 -0.00624 122 3PZ -0.04853 0.01429 0.17020 -0.02581 -0.05271 123 4XX -0.00889 -0.00494 -0.00137 -0.01129 -0.00518 124 4YY 0.00429 0.02195 -0.00252 0.00386 0.00114 125 4ZZ 0.00781 -0.01079 0.00470 -0.00678 0.00449 126 4XY -0.00761 0.00005 -0.00415 0.00321 -0.00319 127 4XZ -0.00453 -0.00528 -0.00116 0.00351 -0.00169 128 4YZ -0.00335 -0.00229 -0.01081 -0.00060 -0.00006 129 13 C 1S -0.02143 0.02956 -0.05184 -0.00158 -0.00447 130 2S 0.04299 -0.05548 0.10796 0.01520 0.01064 131 2PX 0.00051 0.02748 -0.08299 -0.03856 0.00011 132 2PY 0.02058 -0.03157 0.11041 0.03620 0.00744 133 2PZ -0.10107 0.12209 -0.23452 -0.11064 -0.03884 134 3S 0.09358 -0.11182 0.08683 0.00025 0.04851 135 3PX -0.00002 0.01603 -0.03734 -0.01153 -0.00164 136 3PY 0.01359 0.00260 0.05339 0.00988 0.00133 137 3PZ -0.04350 0.05775 -0.11715 -0.02319 -0.01622 138 4XX -0.00736 0.00167 -0.00375 -0.00464 -0.00411 139 4YY -0.00072 0.00983 -0.00224 -0.00177 -0.00125 140 4ZZ 0.00573 -0.00739 0.00103 0.00861 0.00455 141 4XY 0.00143 -0.00103 -0.00361 -0.00248 0.00119 142 4XZ -0.00785 -0.00344 0.00571 0.00331 -0.00505 143 4YZ -0.00393 -0.00341 -0.00869 -0.00613 -0.00155 144 14 C 1S 0.00310 -0.00914 0.00489 0.00385 0.00368 145 2S -0.00432 0.01813 -0.01663 -0.00945 -0.00480 146 2PX 0.00565 -0.00361 0.00159 0.01290 -0.00201 147 2PY -0.00236 0.03529 -0.03068 -0.02808 -0.00942 148 2PZ 0.00368 -0.00754 0.02387 -0.00623 0.01452 149 3S -0.04768 0.07650 0.00219 -0.01019 -0.04237 150 3PX 0.00896 -0.00860 -0.00185 0.00770 0.00407 151 3PY -0.00922 0.05188 -0.01857 -0.01837 -0.01155 152 3PZ 0.01325 -0.00332 0.01589 -0.00340 0.01370 153 4XX 0.00160 -0.00085 -0.00003 0.00059 0.00185 154 4YY 0.00257 -0.00192 0.00053 0.00051 0.00138 155 4ZZ -0.00295 0.00150 0.00092 -0.00049 -0.00227 156 4XY 0.00054 0.00070 -0.00295 -0.00113 0.00075 157 4XZ 0.00227 -0.00068 -0.00232 -0.00028 0.00192 158 4YZ -0.00257 0.00454 -0.00723 -0.00211 -0.00124 159 15 C 1S 0.00443 -0.01024 -0.00218 0.02825 0.00346 160 2S -0.01493 0.02846 0.00306 -0.03182 -0.01217 161 2PX -0.09410 0.02688 0.03865 0.02300 -0.08553 162 2PY -0.02686 0.03618 0.01453 -0.03183 -0.02905 163 2PZ 0.03865 -0.01452 -0.06998 0.02405 0.03407 164 3S 0.02299 0.03182 0.02406 -0.04410 0.00580 165 3PX -0.08552 0.02906 0.03407 0.00581 -0.07056 166 3PY 0.01954 -0.01165 0.01762 -0.00615 0.00673 167 3PZ 0.04464 -0.01710 -0.05610 0.01062 0.04023 168 4XX 0.00092 0.00052 -0.00105 0.00048 0.00074 169 4YY 0.00196 -0.00122 -0.00053 0.00050 0.00168 170 4ZZ -0.00232 0.00074 0.00066 0.00055 -0.00204 171 4XY -0.00076 -0.00097 -0.00146 0.00203 -0.00098 172 4XZ 0.00001 -0.00024 0.00002 -0.00018 -0.00004 173 4YZ -0.00161 0.00042 -0.00128 0.00050 -0.00116 174 16 H 1S -0.03031 -0.01510 -0.01497 0.04153 -0.02563 175 2S -0.06563 -0.03044 -0.02984 0.04889 -0.04372 176 17 H 1S 0.03271 0.00421 0.03215 -0.05771 0.01770 177 2S 0.07741 -0.00143 0.06794 -0.05898 0.03769 178 18 H 1S 0.02942 0.26416 -0.02262 0.11235 0.00498 179 2S 0.00928 0.24494 -0.02196 0.03320 -0.01110 180 19 H 1S -0.02500 0.00184 -0.02345 -0.03206 -0.01668 181 2S -0.08199 0.01218 -0.02899 -0.04475 -0.04620 182 20 H 1S 0.01223 -0.01109 0.01091 0.01101 0.00908 183 2S 0.02776 -0.02015 0.01333 0.01060 0.02205 184 21 H 1S 0.01088 -0.00924 -0.00291 0.00543 0.01174 185 2S 0.03432 -0.02541 -0.00578 0.01443 0.02815 186 22 H 1S -0.00301 0.00515 -0.02613 -0.01620 0.00408 187 2S 0.00776 0.01033 -0.05902 -0.01438 0.01446 188 23 H 1S -0.00892 -0.00400 0.02445 -0.00359 -0.00075 189 2S -0.01196 -0.01248 0.03388 0.00099 -0.00617 121 122 123 124 125 121 3PY 0.05321 122 3PZ 0.01514 0.09659 123 4XX -0.00167 0.00075 0.00149 124 4YY 0.00652 -0.00038 -0.00052 0.00186 125 4ZZ -0.00330 -0.00006 0.00007 -0.00073 0.00145 126 4XY -0.00011 -0.00028 0.00000 0.00013 -0.00035 127 4XZ -0.00145 0.00063 -0.00001 -0.00039 0.00006 128 4YZ -0.00162 -0.00357 0.00014 -0.00011 -0.00004 129 13 C 1S 0.00708 -0.00574 0.00165 0.00168 -0.00512 130 2S -0.01664 0.02430 -0.00383 -0.00345 0.00885 131 2PX 0.00297 -0.01549 0.00730 0.00095 -0.00570 132 2PY -0.01298 0.05084 -0.00065 -0.00950 0.00773 133 2PZ 0.01884 -0.09077 0.00545 0.00364 0.00068 134 3S -0.02853 -0.00063 -0.00365 -0.00684 0.01172 135 3PX -0.00036 -0.00754 0.00317 0.00064 -0.00266 136 3PY -0.00475 0.02377 -0.00081 -0.00362 0.00391 137 3PZ 0.00275 -0.04787 0.00129 0.00256 -0.00033 138 4XX -0.00008 0.00009 0.00055 -0.00029 0.00004 139 4YY 0.00342 -0.00014 -0.00011 0.00085 -0.00055 140 4ZZ -0.00229 -0.00148 -0.00043 -0.00039 0.00029 141 4XY -0.00060 -0.00105 0.00026 -0.00005 -0.00009 142 4XZ -0.00034 0.00512 0.00024 -0.00016 -0.00052 143 4YZ -0.00276 -0.00415 0.00030 -0.00031 0.00033 144 14 C 1S -0.00396 0.00182 0.00030 -0.00148 0.00048 145 2S 0.00899 -0.00699 -0.00104 0.00319 -0.00116 146 2PX -0.00014 -0.00416 0.00016 -0.00054 0.00019 147 2PY 0.01240 -0.02231 -0.00101 0.00818 -0.00393 148 2PZ 0.02513 0.02494 0.00235 -0.00101 0.00006 149 3S 0.02365 0.01384 -0.00084 0.00541 -0.00338 150 3PX -0.00201 -0.00494 0.00010 -0.00059 0.00022 151 3PY 0.01565 -0.00894 -0.00038 0.00566 -0.00313 152 3PZ 0.01143 0.01345 0.00079 0.00002 -0.00023 153 4XX 0.00079 -0.00002 0.00012 -0.00023 0.00006 154 4YY -0.00036 -0.00117 -0.00021 0.00009 0.00022 155 4ZZ -0.00067 0.00161 0.00010 -0.00009 -0.00005 156 4XY 0.00018 -0.00084 0.00020 0.00003 -0.00017 157 4XZ -0.00021 -0.00237 -0.00014 -0.00003 0.00008 158 4YZ 0.00039 -0.00342 0.00004 0.00020 -0.00002 159 15 C 1S -0.01062 -0.00234 -0.00045 -0.00084 -0.00046 160 2S 0.00751 0.00645 -0.00045 0.00068 0.00014 161 2PX -0.01955 0.04464 0.00092 0.00196 -0.00232 162 2PY -0.01164 0.01710 -0.00052 0.00122 -0.00074 163 2PZ -0.01761 -0.05610 -0.00105 -0.00053 0.00066 164 3S 0.00615 0.01062 0.00048 0.00050 0.00054 165 3PX -0.00673 0.04022 0.00074 0.00168 -0.00204 166 3PY -0.01300 0.00672 -0.00022 -0.00039 0.00018 167 3PZ -0.00671 -0.04212 -0.00188 -0.00021 0.00145 168 4XX 0.00022 -0.00188 0.00045 -0.00016 -0.00017 169 4YY 0.00039 -0.00021 -0.00016 0.00037 -0.00008 170 4ZZ -0.00018 0.00145 -0.00017 -0.00008 0.00018 171 4XY -0.00099 -0.00105 0.00001 -0.00015 0.00005 172 4XZ 0.00026 -0.00010 -0.00019 -0.00005 0.00012 173 4YZ 0.00007 -0.00136 0.00007 0.00004 -0.00014 174 16 H 1S -0.00659 -0.01358 0.00034 -0.00257 0.00002 175 2S -0.01573 -0.01523 0.00109 -0.00387 -0.00050 176 17 H 1S 0.01040 0.00730 0.00307 -0.00534 0.00632 177 2S 0.01145 0.01283 0.00157 -0.00515 0.00695 178 18 H 1S 0.08410 -0.00405 -0.00852 0.01671 -0.00993 179 2S 0.07232 0.00217 -0.00501 0.01588 -0.00874 180 19 H 1S -0.00582 0.00220 0.00458 -0.00287 0.00116 181 2S 0.00375 0.01692 0.00610 -0.00199 -0.00220 182 20 H 1S 0.00455 0.00278 -0.00024 -0.00155 0.00123 183 2S 0.00342 -0.00199 -0.00114 -0.00210 0.00239 184 21 H 1S 0.00990 -0.00326 -0.00021 0.00086 -0.00008 185 2S 0.00401 -0.00904 -0.00090 0.00150 -0.00030 186 22 H 1S -0.00731 -0.02954 -0.00244 -0.00242 0.00811 187 2S -0.00676 -0.04306 -0.00103 -0.00166 0.00534 188 23 H 1S 0.00943 0.02498 0.00137 -0.00100 -0.00013 189 2S 0.00177 0.02867 0.00250 -0.00204 -0.00038 126 127 128 129 130 126 4XY 0.00042 127 4XZ 0.00009 0.00069 128 4YZ 0.00027 0.00008 0.00065 129 13 C 1S 0.00133 -0.00200 0.00340 2.05092 130 2S -0.00249 0.00367 -0.00664 -0.05341 0.30682 131 2PX -0.00081 0.00911 0.00319 -0.00089 0.00094 132 2PY 0.00065 0.00272 0.00438 -0.00199 0.00122 133 2PZ 0.00406 -0.00358 0.00854 -0.00339 0.00249 134 3S -0.00382 0.00373 -0.00655 -0.18586 0.27976 135 3PX -0.00044 0.00421 0.00139 -0.00226 0.00385 136 3PY -0.00012 0.00107 0.00182 0.00044 0.00253 137 3PZ 0.00239 -0.00117 0.00426 -0.00163 0.00937 138 4XX 0.00017 0.00026 0.00039 -0.01787 0.00019 139 4YY -0.00004 -0.00019 -0.00020 -0.01551 -0.00514 140 4ZZ 0.00001 -0.00011 0.00009 -0.01630 -0.00351 141 4XY -0.00006 0.00038 0.00013 -0.00055 0.00106 142 4XZ 0.00012 0.00062 -0.00011 0.00050 -0.00110 143 4YZ 0.00008 -0.00002 0.00031 -0.00140 0.00268 144 14 C 1S 0.00034 0.00008 0.00110 0.01015 -0.01941 145 2S -0.00074 -0.00025 -0.00198 -0.01941 0.03034 146 2PX -0.00001 -0.00082 0.00032 0.00027 -0.00113 147 2PY -0.00173 -0.00099 -0.00724 -0.06234 0.12842 148 2PZ 0.00056 -0.00056 0.00107 0.00367 -0.00766 149 3S -0.00077 -0.00033 -0.00250 0.00627 0.00956 150 3PX -0.00018 -0.00058 0.00018 0.00051 -0.00149 151 3PY -0.00045 -0.00110 -0.00317 -0.01397 0.04158 152 3PZ 0.00014 -0.00060 0.00055 0.00321 -0.00962 153 4XX 0.00006 -0.00005 0.00021 0.00206 -0.00506 154 4YY -0.00008 0.00008 -0.00034 -0.00682 0.01180 155 4ZZ 0.00001 0.00003 0.00021 0.00208 -0.00477 156 4XY -0.00002 0.00028 0.00007 0.00001 -0.00002 157 4XZ 0.00002 0.00001 -0.00004 -0.00011 0.00018 158 4YZ 0.00012 -0.00009 0.00018 -0.00032 0.00030 159 15 C 1S 0.00044 0.00005 -0.00001 -0.00202 0.00459 160 2S -0.00070 0.00038 0.00004 0.00420 -0.00918 161 2PX 0.00076 0.00001 0.00161 0.00310 -0.00431 162 2PY -0.00097 0.00024 0.00042 0.00914 -0.01813 163 2PZ 0.00146 0.00002 0.00128 0.00490 -0.01663 164 3S -0.00203 -0.00018 -0.00050 0.00385 -0.00945 165 3PX 0.00098 -0.00004 0.00116 0.00368 -0.00480 166 3PY -0.00099 -0.00026 0.00007 0.00396 -0.00899 167 3PZ 0.00105 -0.00009 0.00136 0.00182 -0.00699 168 4XX -0.00001 -0.00019 -0.00007 0.00030 -0.00104 169 4YY 0.00015 -0.00005 -0.00004 -0.00148 0.00319 170 4ZZ -0.00005 0.00012 0.00014 0.00048 -0.00116 171 4XY -0.00013 0.00004 -0.00005 -0.00034 0.00074 172 4XZ -0.00004 0.00005 0.00000 0.00008 -0.00026 173 4YZ -0.00005 0.00000 -0.00025 -0.00110 0.00199 174 16 H 1S -0.00085 0.00030 -0.00058 -0.00090 0.00147 175 2S -0.00037 0.00117 -0.00017 -0.00047 -0.00004 176 17 H 1S -0.00350 0.00387 -0.00211 -0.00710 0.01561 177 2S -0.00520 0.00176 -0.00393 -0.00909 0.02150 178 18 H 1S 0.00155 -0.00194 -0.00169 0.01166 -0.02374 179 2S 0.00135 -0.00309 -0.00104 0.01409 -0.02635 180 19 H 1S 0.00001 0.00707 0.00220 -0.05307 0.10305 181 2S 0.00147 0.00575 0.00328 -0.00470 0.02007 182 20 H 1S 0.00019 -0.00082 0.00098 0.00761 -0.01999 183 2S 0.00041 -0.00093 0.00075 0.00792 -0.01755 184 21 H 1S 0.00059 -0.00022 -0.00041 -0.00717 0.01458 185 2S 0.00078 -0.00062 -0.00057 -0.00907 0.01876 186 22 H 1S 0.00106 -0.00401 0.00144 -0.05287 0.10195 187 2S 0.00102 -0.00503 0.00280 -0.00700 0.02105 188 23 H 1S 0.00010 0.00069 0.00105 0.00840 -0.02009 189 2S -0.00006 0.00099 0.00117 0.01010 -0.02085 131 132 133 134 135 131 2PX 0.41187 132 2PY 0.00499 0.38124 133 2PZ -0.00313 0.00574 0.38896 134 3S -0.00647 -0.00793 -0.02478 0.30210 135 3PX 0.18595 0.00355 0.00070 -0.00137 0.08585 136 3PY -0.00076 0.17352 0.00966 -0.00729 0.00186 137 3PZ 0.00744 0.00608 0.17988 -0.00700 0.00654 138 4XX 0.01072 0.01029 0.01116 -0.00035 0.00492 139 4YY 0.00056 -0.01508 -0.00103 -0.00513 0.00020 140 4ZZ -0.01052 0.00819 -0.00580 -0.00015 -0.00477 141 4XY 0.01581 0.00030 -0.00039 0.00117 0.00724 142 4XZ 0.01495 0.00054 -0.01186 -0.00235 0.00665 143 4YZ 0.00004 0.00068 0.01284 0.00250 0.00017 144 14 C 1S 0.00026 0.06234 0.00369 0.00627 0.00051 145 2S -0.00112 -0.12841 -0.00769 0.00956 -0.00149 146 2PX -0.00074 -0.00196 0.00493 0.00446 -0.00514 147 2PY 0.00199 -0.31488 -0.00215 0.12580 0.00286 148 2PZ 0.00493 0.00208 0.00695 -0.00423 -0.00109 149 3S 0.00446 -0.12580 -0.00426 -0.03255 0.00253 150 3PX -0.00514 -0.00284 -0.00110 0.00252 -0.00533 151 3PY 0.00014 -0.14639 0.01477 0.03364 0.00181 152 3PZ -0.00073 -0.00209 -0.00676 -0.00815 -0.00275 153 4XX -0.00024 0.00708 0.00044 -0.00420 -0.00048 154 4YY -0.00037 -0.00827 0.00046 0.01297 -0.00018 155 4ZZ 0.00063 0.00813 0.00082 -0.00656 0.00073 156 4XY 0.01155 0.00033 -0.00029 0.00016 0.00535 157 4XZ -0.00063 0.00060 0.00059 0.00163 -0.00063 158 4YZ -0.00043 0.00007 0.01048 0.00039 -0.00012 159 15 C 1S -0.00180 -0.01024 -0.00336 -0.00082 0.00044 160 2S 0.00337 0.02611 0.01375 -0.01381 0.00408 161 2PX 0.00565 0.00236 0.00369 -0.04770 0.00897 162 2PY 0.00361 0.03528 0.00755 -0.07649 0.00859 163 2PZ 0.00160 0.03068 0.02388 0.00218 -0.00185 164 3S 0.01294 0.02809 -0.00622 -0.01020 0.00772 165 3PX -0.00201 0.00941 0.01452 -0.04237 0.00407 166 3PY 0.00016 0.01240 -0.02514 -0.02365 0.00201 167 3PZ -0.00415 0.02231 0.02493 0.01384 -0.00494 168 4XX 0.00016 0.00101 0.00235 -0.00084 0.00010 169 4YY -0.00054 -0.00818 -0.00101 0.00541 -0.00059 170 4ZZ 0.00018 0.00392 0.00006 -0.00338 0.00022 171 4XY 0.00001 -0.00174 -0.00056 0.00077 0.00018 172 4XZ -0.00082 0.00099 -0.00056 -0.00033 -0.00058 173 4YZ -0.00032 -0.00724 -0.00107 0.00250 -0.00018 174 16 H 1S 0.00009 -0.00103 -0.00298 0.00354 0.00130 175 2S 0.00382 -0.00098 0.00410 -0.00168 0.00383 176 17 H 1S -0.01137 0.01107 -0.03375 0.04176 -0.00462 177 2S -0.02681 0.01594 -0.06649 0.05147 -0.01220 178 18 H 1S 0.00668 -0.03133 0.03239 -0.06426 0.00613 179 2S 0.01507 -0.05917 0.06668 -0.06878 0.00961 180 19 H 1S 0.24406 0.09284 0.06751 0.08095 0.11187 181 2S 0.21324 0.07584 0.05576 -0.00680 0.09432 182 20 H 1S -0.02272 0.02938 -0.00277 -0.01940 -0.01473 183 2S -0.04408 0.05181 -0.00221 -0.00378 -0.02329 184 21 H 1S -0.00151 -0.03618 -0.00435 0.04598 -0.00396 185 2S -0.00485 -0.06045 -0.01995 0.05206 -0.00610 186 22 H 1S -0.18024 0.08043 0.17920 0.09108 -0.07907 187 2S -0.16493 0.06620 0.15935 0.01901 -0.07321 188 23 H 1S 0.01884 0.02735 -0.01614 -0.03336 0.00937 189 2S 0.03500 0.05263 -0.02229 -0.03230 0.01823 136 137 138 139 140 136 3PY 0.08588 137 3PZ 0.00766 0.09074 138 4XX 0.00456 0.00529 0.00113 139 4YY -0.00601 -0.00086 -0.00033 0.00121 140 4ZZ 0.00318 -0.00238 -0.00017 -0.00033 0.00105 141 4XY -0.00004 0.00023 0.00040 -0.00003 -0.00038 142 4XZ -0.00025 -0.00508 0.00023 0.00007 -0.00033 143 4YZ 0.00091 0.00612 0.00042 -0.00025 -0.00018 144 14 C 1S 0.01397 0.00321 0.00206 -0.00682 0.00208 145 2S -0.04158 -0.00963 -0.00506 0.01180 -0.00477 146 2PX -0.00013 -0.00074 -0.00023 -0.00037 0.00063 147 2PY -0.14639 0.00206 -0.00708 0.00827 -0.00813 148 2PZ -0.01480 -0.00677 0.00043 0.00046 0.00082 149 3S -0.03364 -0.00816 -0.00421 0.01297 -0.00656 150 3PX -0.00180 -0.00276 -0.00048 -0.00018 0.00073 151 3PY -0.06475 0.00906 -0.00296 0.00461 -0.00444 152 3PZ -0.00907 -0.00863 -0.00045 0.00072 0.00072 153 4XX 0.00296 -0.00045 0.00013 -0.00014 0.00028 154 4YY -0.00461 0.00072 -0.00014 -0.00006 -0.00018 155 4ZZ 0.00444 0.00072 0.00028 -0.00018 0.00010 156 4XY -0.00021 0.00024 0.00031 -0.00002 -0.00028 157 4XZ 0.00052 0.00015 -0.00004 -0.00013 0.00008 158 4YZ 0.00009 0.00526 0.00030 -0.00010 -0.00016 159 15 C 1S -0.00685 0.00016 -0.00043 -0.00057 0.00018 160 2S 0.01928 0.00716 0.00105 0.00088 -0.00091 161 2PX 0.00923 0.01327 0.00160 0.00257 -0.00295 162 2PY 0.05188 0.00333 0.00085 0.00192 -0.00150 163 2PZ 0.01857 0.01589 -0.00003 0.00052 0.00092 164 3S 0.01837 -0.00339 0.00059 0.00051 -0.00049 165 3PX 0.01155 0.01372 0.00185 0.00138 -0.00226 166 3PY 0.01565 -0.01143 -0.00079 0.00036 0.00067 167 3PZ 0.00894 0.01345 -0.00002 -0.00118 0.00161 168 4XX 0.00038 0.00078 0.00012 -0.00021 0.00010 169 4YY -0.00566 0.00002 -0.00023 0.00009 -0.00009 170 4ZZ 0.00313 -0.00023 0.00006 0.00022 -0.00005 171 4XY -0.00046 -0.00014 -0.00006 0.00008 -0.00001 172 4XZ 0.00110 -0.00060 -0.00005 0.00008 0.00003 173 4YZ -0.00318 -0.00055 -0.00021 0.00034 -0.00021 174 16 H 1S 0.00023 -0.00070 0.00044 -0.00008 0.00018 175 2S 0.00067 0.00421 0.00114 -0.00033 -0.00007 176 17 H 1S 0.01304 -0.02990 -0.00119 0.00007 -0.00017 177 2S 0.01571 -0.04621 -0.00276 -0.00017 0.00099 178 18 H 1S -0.00754 0.02545 -0.00156 0.00650 -0.00183 179 2S -0.01769 0.03802 -0.00043 0.00718 -0.00457 180 19 H 1S 0.04140 0.03913 0.01149 -0.00486 -0.00663 181 2S 0.02999 0.02565 0.01043 -0.00282 -0.00647 182 20 H 1S 0.01812 -0.00845 -0.00094 0.00174 0.00161 183 2S 0.02464 -0.00581 -0.00070 -0.00149 0.00325 184 21 H 1S -0.03698 -0.00020 -0.00081 -0.00011 -0.00001 185 2S -0.04915 -0.00659 -0.00228 0.00023 0.00044 186 22 H 1S 0.04179 0.08296 0.00243 -0.00576 0.00363 187 2S 0.03399 0.07122 0.00131 -0.00435 0.00446 188 23 H 1S 0.01272 -0.01224 0.00038 0.00276 -0.00025 189 2S 0.02122 -0.01141 0.00188 -0.00031 0.00040 141 142 143 144 145 141 4XY 0.00096 142 4XZ 0.00054 0.00130 143 4YZ 0.00004 -0.00042 0.00091 144 14 C 1S -0.00001 -0.00011 0.00032 2.05092 145 2S 0.00002 0.00018 -0.00030 -0.05341 0.30682 146 2PX -0.01155 -0.00064 0.00043 -0.00090 0.00094 147 2PY 0.00033 -0.00060 0.00008 0.00199 -0.00122 148 2PZ 0.00029 0.00059 -0.01048 -0.00339 0.00249 149 3S -0.00016 0.00163 -0.00038 -0.18587 0.27976 150 3PX -0.00535 -0.00063 0.00012 -0.00226 0.00385 151 3PY -0.00021 -0.00052 0.00009 -0.00044 -0.00253 152 3PZ -0.00024 0.00016 -0.00526 -0.00163 0.00937 153 4XX -0.00031 -0.00004 -0.00030 -0.01787 0.00019 154 4YY 0.00002 -0.00013 0.00010 -0.01551 -0.00514 155 4ZZ 0.00028 0.00008 0.00016 -0.01630 -0.00351 156 4XY 0.00089 0.00042 -0.00003 0.00056 -0.00106 157 4XZ -0.00042 -0.00011 0.00036 0.00050 -0.00110 158 4YZ -0.00003 -0.00036 0.00065 0.00140 -0.00269 159 15 C 1S -0.00034 -0.00007 -0.00151 0.01252 -0.02336 160 2S 0.00060 0.00013 0.00341 -0.02297 0.03914 161 2PX -0.00054 0.00227 0.00257 -0.02144 0.04301 162 2PY 0.00070 0.00068 0.00453 -0.02955 0.05546 163 2PZ 0.00295 -0.00232 0.00723 -0.05185 0.10797 164 3S 0.00114 -0.00027 0.00211 -0.00158 0.01520 165 3PX -0.00075 0.00192 0.00124 -0.00447 0.01064 166 3PY 0.00018 0.00021 0.00038 -0.00707 0.01663 167 3PZ 0.00084 -0.00237 0.00342 -0.00574 0.02430 168 4XX -0.00020 -0.00014 -0.00004 0.00165 -0.00383 169 4YY -0.00003 -0.00003 -0.00020 0.00169 -0.00346 170 4ZZ 0.00017 0.00008 0.00002 -0.00512 0.00885 171 4XY -0.00002 -0.00002 0.00012 -0.00133 0.00249 172 4XZ -0.00028 0.00001 0.00009 -0.00200 0.00368 173 4YZ 0.00007 0.00004 0.00018 -0.00340 0.00664 174 16 H 1S 0.00020 0.00062 0.00110 -0.00710 0.01561 175 2S 0.00069 0.00148 0.00253 -0.00909 0.02150 176 17 H 1S -0.00039 -0.00149 -0.00084 -0.00090 0.00147 177 2S -0.00092 -0.00196 -0.00199 -0.00047 -0.00005 178 18 H 1S -0.00121 -0.00093 -0.00478 -0.00717 0.01458 179 2S -0.00058 -0.00158 -0.00206 -0.00907 0.01876 180 19 H 1S 0.01023 0.00742 0.00360 0.00761 -0.01999 181 2S 0.00917 0.00856 0.00244 0.00792 -0.01756 182 20 H 1S -0.00762 -0.00092 -0.00178 -0.05306 0.10305 183 2S -0.00741 -0.00198 -0.00143 -0.00470 0.02007 184 21 H 1S -0.00030 -0.00020 -0.00198 0.01166 -0.02374 185 2S -0.00036 -0.00044 -0.00306 0.01409 -0.02636 186 22 H 1S -0.00695 -0.01312 0.00750 0.00840 -0.02009 187 2S -0.00698 -0.01252 0.00650 0.01010 -0.02085 188 23 H 1S 0.00567 0.00208 -0.00549 -0.05287 0.10196 189 2S 0.00580 0.00284 -0.00500 -0.00701 0.02105 146 147 148 149 150 146 2PX 0.41187 147 2PY -0.00499 0.38124 148 2PZ -0.00314 -0.00574 0.38896 149 3S -0.00647 0.00794 -0.02478 0.30210 150 3PX 0.18596 -0.00356 0.00071 -0.00136 0.08586 151 3PY 0.00075 0.17352 -0.00966 0.00729 -0.00186 152 3PZ 0.00745 -0.00608 0.17987 -0.00699 0.00655 153 4XX 0.01073 -0.01029 0.01114 -0.00035 0.00492 154 4YY 0.00056 0.01508 -0.00102 -0.00513 0.00019 155 4ZZ -0.01054 -0.00819 -0.00580 -0.00015 -0.00478 156 4XY -0.01582 0.00029 0.00039 -0.00117 -0.00724 157 4XZ 0.01493 -0.00053 -0.01187 -0.00236 0.00664 158 4YZ -0.00003 0.00069 -0.01284 -0.00250 -0.00016 159 15 C 1S 0.01710 0.02349 0.06432 0.00258 0.00271 160 2S -0.03376 -0.04865 -0.13740 0.02396 -0.01329 161 2PX 0.00047 -0.02057 -0.10112 0.09363 -0.00004 162 2PY -0.02750 -0.03152 -0.12203 0.11179 -0.01604 163 2PZ -0.08306 -0.11036 -0.23453 0.08684 -0.03738 164 3S -0.03859 -0.03619 -0.11063 0.00025 -0.01154 165 3PX 0.00010 -0.00743 -0.03885 0.04852 -0.00165 166 3PY -0.00297 -0.01297 -0.01882 0.02853 0.00036 167 3PZ -0.01552 -0.05083 -0.09077 -0.00064 -0.00756 168 4XX 0.00730 0.00064 0.00544 -0.00365 0.00317 169 4YY 0.00096 0.00950 0.00365 -0.00684 0.00064 170 4ZZ -0.00570 -0.00772 0.00068 0.01172 -0.00266 171 4XY 0.00081 0.00065 -0.00406 0.00382 0.00043 172 4XZ 0.00911 -0.00272 -0.00359 0.00373 0.00421 173 4YZ -0.00319 0.00439 -0.00853 0.00654 -0.00139 174 16 H 1S -0.01138 -0.01106 -0.03375 0.04177 -0.00463 175 2S -0.02683 -0.01591 -0.06649 0.05147 -0.01221 176 17 H 1S 0.00009 0.00103 -0.00298 0.00354 0.00130 177 2S 0.00382 0.00097 0.00410 -0.00168 0.00383 178 18 H 1S -0.00152 0.03618 -0.00434 0.04598 -0.00397 179 2S -0.00485 0.06045 -0.01993 0.05206 -0.00611 180 19 H 1S -0.02272 -0.02939 -0.00278 -0.01941 -0.01473 181 2S -0.04406 -0.05181 -0.00223 -0.00380 -0.02327 182 20 H 1S 0.24409 -0.09284 0.06741 0.08095 0.11189 183 2S 0.21326 -0.07583 0.05567 -0.00681 0.09433 184 21 H 1S 0.00669 0.03132 0.03240 -0.06427 0.00614 185 2S 0.01510 0.05915 0.06669 -0.06879 0.00962 186 22 H 1S 0.01885 -0.02734 -0.01614 -0.03335 0.00937 187 2S 0.03502 -0.05262 -0.02229 -0.03229 0.01823 188 23 H 1S -0.18017 -0.08049 0.17924 0.09108 -0.07904 189 2S -0.16487 -0.06625 0.15938 0.01901 -0.07318 151 152 153 154 155 151 3PY 0.08588 152 3PZ -0.00766 0.09073 153 4XX -0.00456 0.00528 0.00114 154 4YY 0.00601 -0.00086 -0.00033 0.00121 155 4ZZ -0.00318 -0.00238 -0.00017 -0.00033 0.00105 156 4XY -0.00004 -0.00023 -0.00040 0.00003 0.00038 157 4XZ 0.00025 -0.00508 0.00023 0.00007 -0.00033 158 4YZ 0.00092 -0.00612 -0.00042 0.00025 0.00018 159 15 C 1S 0.00571 0.01309 0.00197 0.00081 -0.00456 160 2S -0.01147 -0.04403 -0.00450 -0.00222 0.00848 161 2PX -0.01358 -0.04353 -0.00736 -0.00072 0.00574 162 2PY 0.00262 -0.05772 -0.00166 -0.00983 0.00738 163 2PZ -0.05337 -0.11716 -0.00375 -0.00225 0.00104 164 3S -0.00988 -0.02320 -0.00464 -0.00177 0.00861 165 3PX -0.00132 -0.01622 -0.00411 -0.00125 0.00456 166 3PY -0.00475 -0.00274 0.00008 -0.00342 0.00229 167 3PZ -0.02377 -0.04786 0.00010 -0.00015 -0.00148 168 4XX 0.00081 0.00129 0.00055 -0.00011 -0.00043 169 4YY 0.00362 0.00256 -0.00029 0.00085 -0.00039 170 4ZZ -0.00391 -0.00033 0.00004 -0.00055 0.00029 171 4XY -0.00012 -0.00239 -0.00017 0.00004 -0.00001 172 4XZ -0.00107 -0.00117 0.00027 -0.00019 -0.00011 173 4YZ 0.00183 -0.00426 -0.00039 0.00020 -0.00009 174 16 H 1S -0.01304 -0.02991 -0.00119 0.00007 -0.00017 175 2S -0.01569 -0.04622 -0.00276 -0.00017 0.00099 176 17 H 1S -0.00023 -0.00070 0.00044 -0.00008 0.00018 177 2S -0.00067 0.00421 0.00114 -0.00033 -0.00007 178 18 H 1S 0.03698 -0.00019 -0.00081 -0.00011 -0.00001 179 2S 0.04915 -0.00658 -0.00228 0.00023 0.00044 180 19 H 1S -0.01812 -0.00845 -0.00095 0.00174 0.00161 181 2S -0.02464 -0.00581 -0.00070 -0.00149 0.00325 182 20 H 1S -0.04140 0.03909 0.01150 -0.00486 -0.00664 183 2S -0.02999 0.02561 0.01044 -0.00282 -0.00648 184 21 H 1S 0.00753 0.02545 -0.00156 0.00650 -0.00183 185 2S 0.01769 0.03802 -0.00043 0.00718 -0.00457 186 22 H 1S -0.01271 -0.01225 0.00039 0.00275 -0.00025 187 2S -0.02122 -0.01142 0.00189 -0.00032 0.00040 188 23 H 1S -0.04181 0.08298 0.00242 -0.00576 0.00364 189 2S -0.03401 0.07123 0.00130 -0.00434 0.00446 156 157 158 159 160 156 4XY 0.00096 157 4XZ -0.00054 0.00130 158 4YZ 0.00004 0.00042 0.00091 159 15 C 1S -0.00115 -0.00264 -0.00410 2.05499 160 2S 0.00204 0.00525 0.00767 -0.06133 0.32633 161 2PX -0.00143 -0.00784 0.00393 0.00315 -0.00483 162 2PY -0.00103 0.00344 -0.00341 0.00191 0.00376 163 2PZ 0.00361 0.00572 0.00869 0.00214 0.00093 164 3S 0.00249 0.00331 0.00612 -0.19780 0.29069 165 3PX -0.00119 -0.00505 0.00155 -0.00758 0.01604 166 3PY -0.00060 0.00034 -0.00276 -0.00758 -0.00820 167 3PZ 0.00105 0.00512 0.00415 0.00297 -0.00462 168 4XX -0.00026 0.00024 -0.00030 -0.01132 -0.01296 169 4YY 0.00005 -0.00016 0.00031 -0.01838 0.00158 170 4ZZ 0.00009 -0.00052 -0.00033 -0.01398 -0.00730 171 4XY -0.00006 -0.00012 0.00008 0.00161 -0.00345 172 4XZ -0.00038 0.00062 0.00002 -0.00249 0.00560 173 4YZ 0.00013 0.00011 0.00031 -0.00081 0.00153 174 16 H 1S 0.00039 -0.00149 0.00084 0.01338 -0.02791 175 2S 0.00092 -0.00196 0.00199 0.01887 -0.03229 176 17 H 1S -0.00020 0.00062 -0.00110 -0.00753 0.01707 177 2S -0.00069 0.00148 -0.00253 -0.01234 0.02410 178 18 H 1S 0.00029 -0.00020 0.00198 -0.00252 0.00795 179 2S 0.00036 -0.00043 0.00306 -0.00361 0.01394 180 19 H 1S 0.00761 -0.00092 0.00178 -0.00421 0.01109 181 2S 0.00741 -0.00198 0.00143 -0.00628 0.01443 182 20 H 1S -0.01023 0.00741 -0.00360 0.00809 -0.01963 183 2S -0.00917 0.00855 -0.00244 0.01421 -0.02689 184 21 H 1S 0.00121 -0.00093 0.00479 -0.05969 0.11295 185 2S 0.00058 -0.00158 0.00206 -0.01311 0.02597 186 22 H 1S -0.00568 0.00207 0.00549 -0.00193 0.00809 187 2S -0.00580 0.00284 0.00499 -0.00256 0.00828 188 23 H 1S 0.00696 -0.01312 -0.00751 0.00810 -0.02346 189 2S 0.00698 -0.01252 -0.00651 0.01254 -0.02988 161 162 163 164 165 161 2PX 0.35439 162 2PY -0.02302 0.41151 163 2PZ 0.04001 0.00391 0.38399 164 3S 0.01223 -0.00350 -0.02807 0.30060 165 3PX 0.19637 0.01982 -0.03217 0.02129 0.12487 166 3PY -0.00468 0.13002 -0.01758 0.00563 0.00624 167 3PZ -0.04854 -0.01430 0.17020 -0.02581 -0.05272 168 4XX -0.00888 0.00494 -0.00137 -0.01129 -0.00518 169 4YY 0.00429 -0.02195 -0.00253 0.00386 0.00113 170 4ZZ 0.00781 0.01079 0.00470 -0.00678 0.00449 171 4XY 0.00762 0.00004 0.00415 -0.00321 0.00319 172 4XZ -0.00453 0.00528 -0.00115 0.00351 -0.00169 173 4YZ 0.00335 -0.00230 0.01081 0.00061 0.00006 174 16 H 1S 0.03271 -0.00422 0.03215 -0.05772 0.01769 175 2S 0.07741 0.00141 0.06793 -0.05899 0.03768 176 17 H 1S -0.03031 0.01511 -0.01497 0.04153 -0.02563 177 2S -0.06563 0.03045 -0.02983 0.04888 -0.04372 178 18 H 1S 0.01088 0.00924 -0.00291 0.00542 0.01175 179 2S 0.03433 0.02541 -0.00579 0.01443 0.02816 180 19 H 1S 0.01223 0.01109 0.01093 0.01103 0.00908 181 2S 0.02775 0.02016 0.01337 0.01062 0.02204 182 20 H 1S -0.02500 -0.00183 -0.02344 -0.03206 -0.01669 183 2S -0.08201 -0.01218 -0.02897 -0.04475 -0.04622 184 21 H 1S 0.02938 -0.26416 -0.02267 0.11235 0.00497 185 2S 0.00925 -0.24493 -0.02201 0.03319 -0.01110 186 22 H 1S -0.00892 0.00399 0.02443 -0.00361 -0.00075 187 2S -0.01197 0.01245 0.03386 0.00097 -0.00617 188 23 H 1S -0.00302 -0.00514 -0.02614 -0.01620 0.00408 189 2S 0.00774 -0.01030 -0.05903 -0.01437 0.01446 166 167 168 169 170 166 3PY 0.05321 167 3PZ -0.01514 0.09658 168 4XX 0.00167 0.00075 0.00149 169 4YY -0.00652 -0.00038 -0.00052 0.00186 170 4ZZ 0.00330 -0.00006 0.00007 -0.00073 0.00145 171 4XY -0.00011 0.00028 0.00000 -0.00013 0.00035 172 4XZ 0.00145 0.00063 -0.00001 -0.00039 0.00006 173 4YZ -0.00162 0.00357 -0.00014 0.00011 0.00004 174 16 H 1S -0.01041 0.00730 0.00307 -0.00535 0.00632 175 2S -0.01146 0.01283 0.00158 -0.00515 0.00695 176 17 H 1S 0.00660 -0.01358 0.00034 -0.00257 0.00002 177 2S 0.01574 -0.01523 0.00109 -0.00387 -0.00050 178 18 H 1S -0.00990 -0.00326 -0.00021 0.00086 -0.00008 179 2S -0.00402 -0.00905 -0.00090 0.00150 -0.00030 180 19 H 1S -0.00455 0.00280 -0.00024 -0.00155 0.00123 181 2S -0.00341 -0.00197 -0.00114 -0.00211 0.00239 182 20 H 1S 0.00582 0.00221 0.00458 -0.00287 0.00115 183 2S -0.00375 0.01694 0.00610 -0.00199 -0.00220 184 21 H 1S -0.08410 -0.00407 -0.00852 0.01671 -0.00993 185 2S -0.07232 0.00215 -0.00501 0.01588 -0.00874 186 22 H 1S -0.00944 0.02497 0.00137 -0.00100 -0.00013 187 2S -0.00179 0.02865 0.00250 -0.00203 -0.00038 188 23 H 1S 0.00732 -0.02954 -0.00244 -0.00242 0.00811 189 2S 0.00678 -0.04306 -0.00103 -0.00166 0.00535 171 172 173 174 175 171 4XY 0.00042 172 4XZ -0.00009 0.00069 173 4YZ 0.00027 -0.00008 0.00065 174 16 H 1S 0.00349 0.00387 0.00211 0.21693 175 2S 0.00520 0.00176 0.00393 0.17899 0.17164 176 17 H 1S 0.00085 0.00030 0.00058 -0.02222 -0.02568 177 2S 0.00037 0.00117 0.00017 -0.02568 -0.03291 178 18 H 1S -0.00059 -0.00023 0.00041 -0.00941 -0.01833 179 2S -0.00078 -0.00062 0.00057 -0.02008 -0.02682 180 19 H 1S -0.00019 -0.00082 -0.00098 0.00342 0.01033 181 2S -0.00041 -0.00093 -0.00075 0.00712 0.01814 182 20 H 1S -0.00002 0.00707 -0.00220 -0.00882 -0.02287 183 2S -0.00147 0.00574 -0.00327 -0.02135 -0.03822 184 21 H 1S -0.00154 -0.00194 0.00170 -0.02290 -0.02724 185 2S -0.00135 -0.00309 0.00104 -0.02758 -0.03410 186 22 H 1S -0.00010 0.00069 -0.00105 -0.00063 -0.00022 187 2S 0.00006 0.00099 -0.00117 -0.00021 -0.00044 188 23 H 1S -0.00106 -0.00401 -0.00144 -0.00035 -0.00361 189 2S -0.00102 -0.00503 -0.00280 -0.00121 -0.00328 176 177 178 179 180 176 17 H 1S 0.21693 177 2S 0.17899 0.17164 178 18 H 1S -0.02289 -0.02724 0.21714 179 2S -0.02758 -0.03410 0.17586 0.16496 180 19 H 1S -0.00882 -0.02287 -0.01340 -0.00728 0.21593 181 2S -0.02135 -0.03821 -0.01059 -0.00005 0.16994 182 20 H 1S 0.00342 0.01033 -0.00724 -0.01829 -0.02780 183 2S 0.00712 0.01814 -0.01153 -0.02512 -0.03452 184 21 H 1S -0.00941 -0.01833 0.00159 -0.00152 -0.00724 185 2S -0.02008 -0.02682 -0.00152 -0.00431 -0.01829 186 22 H 1S -0.00034 -0.00360 -0.00897 -0.00496 -0.02500 187 2S -0.00120 -0.00328 -0.00566 -0.00227 -0.05205 188 23 H 1S -0.00063 -0.00022 -0.00529 -0.01306 0.01700 189 2S -0.00020 -0.00043 -0.01225 -0.01808 0.03046 181 182 183 184 185 181 2S 0.16628 182 20 H 1S -0.03452 0.21593 183 2S -0.04557 0.16993 0.16629 184 21 H 1S -0.01154 -0.01339 -0.01058 0.21714 185 2S -0.02513 -0.00727 -0.00004 0.17586 0.16496 186 22 H 1S -0.05356 0.01702 0.03246 -0.00529 -0.01306 187 2S -0.06141 0.03049 0.04132 -0.01224 -0.01807 188 23 H 1S 0.03244 -0.02500 -0.05356 -0.00897 -0.00497 189 2S 0.04129 -0.05205 -0.06142 -0.00567 -0.00228 186 187 188 189 186 22 H 1S 0.21529 187 2S 0.17308 0.15893 188 23 H 1S -0.03157 -0.03522 0.21529 189 2S -0.03521 -0.03752 0.17308 0.15893 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 0.43069 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.37882 6 3S -0.03170 0.22132 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 0.09297 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 O 1S 0.00000 -0.00006 -0.00048 -0.00006 -0.00028 17 2S -0.00002 0.00104 0.00849 0.00171 0.00516 18 2PX -0.00024 0.01219 0.01590 0.00661 0.01963 19 2PY -0.00005 0.00218 0.00602 -0.00067 0.00301 20 2PZ -0.00011 0.00477 0.01887 0.00318 0.00253 21 3S 0.00061 -0.00735 0.01469 -0.00371 0.00746 22 3PX -0.00226 0.02342 0.01029 0.00756 0.02076 23 3PY -0.00071 0.00626 0.00942 -0.00375 0.00481 24 3PZ -0.00096 0.00742 0.01888 0.00399 -0.00207 25 4XX -0.00009 0.00127 -0.00098 0.00104 0.00161 26 4YY -0.00001 0.00012 0.00061 0.00000 0.00028 27 4ZZ -0.00001 0.00009 0.00030 0.00043 -0.00046 28 4XY -0.00008 0.00088 0.00084 0.00020 0.00115 29 4XZ -0.00015 0.00130 0.00070 0.00034 -0.00008 30 4YZ -0.00004 0.00036 0.00123 0.00018 0.00005 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00016 -0.00030 -0.00018 -0.00012 33 2PX 0.00000 -0.00038 -0.00036 -0.00014 -0.00041 34 2PY 0.00000 -0.00003 -0.00032 0.00000 -0.00029 35 2PZ 0.00000 -0.00024 -0.00061 -0.00016 -0.00003 36 3S 0.00009 -0.00098 -0.00291 -0.00149 -0.00044 37 3PX 0.00018 -0.00203 -0.00095 -0.00093 -0.00124 38 3PY 0.00001 -0.00026 -0.00173 -0.00001 -0.00153 39 3PZ 0.00012 -0.00154 -0.00361 -0.00101 0.00036 40 4XX 0.00000 0.00004 0.00011 -0.00001 0.00010 41 4YY 0.00000 -0.00002 -0.00006 0.00000 -0.00004 42 4ZZ 0.00000 0.00001 0.00007 -0.00001 0.00003 43 4XY 0.00000 0.00002 0.00000 0.00000 0.00004 44 4XZ 0.00000 0.00001 0.00009 0.00000 0.00004 45 4YZ 0.00000 0.00000 0.00004 0.00000 -0.00001 46 4 C 1S 0.00000 -0.00065 0.00000 -0.00286 0.00000 47 2S -0.00065 0.01384 0.00000 0.04297 0.00000 48 2PX 0.00000 0.00000 0.01640 0.00000 0.00000 49 2PY -0.00287 0.04297 0.00000 0.10300 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.01211 51 3S 0.00011 0.00956 0.00000 0.03203 0.00000 52 3PX 0.00000 0.00000 0.02166 0.00000 0.00000 53 3PY -0.00013 0.01038 0.00000 0.01886 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.01873 55 4XX 0.00000 -0.00061 0.00000 -0.00167 0.00000 56 4YY -0.00027 0.00367 0.00000 0.00315 0.00000 57 4ZZ 0.00000 -0.00064 0.00000 -0.00128 0.00000 58 4XY 0.00000 0.00000 0.00205 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 0.00234 61 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00009 -0.00002 -0.00002 0.00051 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S 0.00000 0.00017 0.00068 0.00002 0.00003 65 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 -0.00003 -0.00003 -0.00007 -0.00003 67 2PX 0.00000 -0.00005 0.00010 -0.00012 -0.00007 68 2PY 0.00000 -0.00016 -0.00010 -0.00034 -0.00004 69 2PZ 0.00000 0.00000 -0.00008 -0.00014 0.00002 70 3S -0.00001 -0.00015 -0.00043 0.00138 -0.00129 71 3PX 0.00004 -0.00104 0.00070 -0.00111 -0.00130 72 3PY 0.00011 -0.00329 -0.00122 -0.00346 -0.00068 73 3PZ -0.00001 0.00015 -0.00130 -0.00196 -0.00024 74 4XX 0.00000 0.00000 -0.00001 -0.00005 0.00002 75 4YY 0.00000 -0.00003 -0.00001 -0.00005 0.00001 76 4ZZ 0.00000 0.00000 0.00001 -0.00002 0.00000 77 4XY 0.00000 0.00002 0.00002 0.00012 -0.00001 78 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 79 4YZ 0.00000 0.00002 0.00002 0.00007 0.00000 80 8 H 1S 0.00000 -0.00020 -0.00001 -0.00045 0.00000 81 2S 0.00024 -0.00382 -0.00027 -0.00595 -0.00030 82 9 H 1S -0.00236 0.03823 0.00581 0.03853 0.05489 83 2S -0.00192 0.02241 0.00247 0.02221 0.03133 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 86 2PX 0.00000 -0.00002 -0.00008 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00001 -0.00029 0.00030 0.00000 -0.00001 90 3PX 0.00006 -0.00143 -0.00169 -0.00001 -0.00008 91 3PY 0.00000 0.00000 0.00000 -0.00003 0.00000 92 3PZ 0.00000 -0.00004 -0.00016 0.00000 0.00001 93 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 -0.00003 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00003 -0.00037 0.00000 -0.00002 105 3PX 0.00002 -0.00038 -0.00238 0.00019 -0.00018 106 3PY 0.00000 -0.00004 -0.00037 -0.00001 -0.00002 107 3PZ 0.00000 -0.00003 -0.00012 0.00002 0.00015 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 117 2PY 0.00000 0.00000 0.00000 -0.00001 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 -0.00008 0.00018 -0.00011 0.00003 120 3PX 0.00001 -0.00017 -0.00033 -0.00054 -0.00033 121 3PY 0.00000 -0.00005 0.00062 -0.00002 0.00023 122 3PZ 0.00000 -0.00007 0.00000 -0.00031 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 -0.00007 -0.00023 -0.00005 -0.00031 135 3PX 0.00000 0.00001 0.00009 -0.00002 0.00010 136 3PY 0.00000 0.00001 -0.00007 0.00001 -0.00016 137 3PZ 0.00000 -0.00004 -0.00029 0.00000 -0.00029 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 146 2PX 0.00000 -0.00001 -0.00001 0.00000 -0.00002 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 -0.00001 -0.00003 0.00000 -0.00004 149 3S 0.00000 -0.00015 -0.00017 0.00000 -0.00002 150 3PX 0.00002 -0.00016 -0.00018 -0.00001 0.00018 151 3PY 0.00000 0.00000 0.00001 0.00003 0.00002 152 3PZ 0.00002 -0.00035 -0.00008 0.00000 -0.00037 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 -0.00008 0.00003 -0.00002 0.00007 161 2PX 0.00000 0.00013 0.00204 0.00020 0.00111 162 2PY 0.00000 0.00001 0.00028 -0.00001 0.00010 163 2PZ 0.00000 0.00005 0.00071 0.00004 0.00022 164 3S 0.00004 0.00014 0.00061 0.00007 0.00128 165 3PX 0.00004 -0.00038 0.00776 0.00087 0.00549 166 3PY -0.00002 0.00039 0.00085 -0.00007 0.00059 167 3PZ -0.00005 0.00064 0.00475 0.00059 0.00007 168 4XX 0.00000 0.00003 0.00009 0.00003 0.00004 169 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00003 0.00000 0.00001 172 4XZ 0.00000 0.00002 0.00009 0.00002 0.00001 173 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00009 0.00001 -0.00001 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00001 0.00001 0.00004 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00002 -0.00001 0.00004 -0.00001 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 183 2S 0.00001 -0.00017 -0.00012 -0.00003 -0.00126 184 21 H 1S 0.00000 0.00000 -0.00001 -0.00001 0.00000 185 2S 0.00001 -0.00009 -0.00061 -0.00045 -0.00017 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00001 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00001 0.00005 0.00000 0.00007 6 7 8 9 10 6 3S 0.30238 7 3PX 0.00000 0.10752 8 3PY 0.00000 0.00000 0.05313 9 3PZ 0.00000 0.00000 0.00000 0.09326 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 O 1S 0.00128 0.00012 -0.00024 0.00040 -0.00006 17 2S -0.01942 -0.00292 0.00273 -0.00508 0.00138 18 2PX 0.00361 0.00059 0.00088 0.00354 -0.00096 19 2PY 0.00274 -0.00034 0.00415 0.00004 0.00096 20 2PZ 0.00548 0.00691 0.00111 -0.00136 0.00397 21 3S -0.06778 -0.00104 0.00117 -0.01270 0.00244 22 3PX 0.00144 -0.00163 0.00035 0.00188 -0.00195 23 3PY 0.00726 -0.00034 0.01064 0.00017 0.00147 24 3PZ 0.01220 0.00729 0.00218 -0.00724 0.00627 25 4XX 0.00209 -0.00128 0.00059 0.00141 -0.00007 26 4YY 0.00064 0.00000 -0.00021 0.00012 0.00010 27 4ZZ 0.00073 0.00113 0.00015 -0.00059 -0.00001 28 4XY 0.00019 0.00001 0.00021 0.00007 -0.00005 29 4XZ 0.00037 0.00001 0.00003 0.00008 0.00003 30 4YZ 0.00012 0.00021 0.00012 0.00001 0.00016 31 3 C 1S 0.00006 0.00014 0.00007 0.00002 0.00000 32 2S -0.00090 -0.00167 -0.00102 0.00026 0.00001 33 2PX -0.00264 -0.00116 -0.00012 -0.00122 0.00005 34 2PY 0.00040 -0.00157 -0.00078 -0.00112 0.00000 35 2PZ -0.00187 -0.00288 -0.00017 0.00021 0.00004 36 3S 0.00149 -0.00488 -0.00286 0.00277 -0.00004 37 3PX -0.00468 -0.00073 -0.00046 -0.00117 -0.00001 38 3PY 0.00071 -0.00141 -0.00035 -0.00109 -0.00017 39 3PZ -0.00045 -0.00620 -0.00134 0.00048 0.00044 40 4XX 0.00003 0.00036 0.00003 0.00020 -0.00001 41 4YY -0.00023 -0.00041 0.00006 -0.00032 0.00000 42 4ZZ 0.00025 0.00021 -0.00012 0.00017 0.00001 43 4XY 0.00002 -0.00009 -0.00004 -0.00003 0.00000 44 4XZ -0.00010 0.00005 0.00002 0.00001 0.00001 45 4YZ 0.00000 0.00002 -0.00005 -0.00004 0.00001 46 4 C 1S 0.00011 0.00000 -0.00013 0.00000 0.00000 47 2S 0.00956 0.00000 0.01037 0.00000 -0.00061 48 2PX 0.00000 0.02166 0.00000 0.00000 0.00000 49 2PY 0.03203 0.00000 0.01886 0.00000 -0.00167 50 2PZ 0.00000 0.00000 0.00000 0.01873 0.00000 51 3S -0.01174 0.00000 -0.00774 0.00000 -0.00101 52 3PX 0.00000 0.02493 0.00000 0.00000 0.00000 53 3PY -0.00774 0.00000 0.00238 0.00000 -0.00166 54 3PZ 0.00000 0.00000 0.00000 0.02710 0.00000 55 4XX -0.00101 0.00000 -0.00166 0.00000 0.00004 56 4YY 0.00361 0.00000 0.00143 0.00000 -0.00005 57 4ZZ -0.00207 0.00000 -0.00096 0.00000 0.00000 58 4XY 0.00000 0.00113 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 0.00113 0.00000 61 5 H 1S 0.00021 0.00010 -0.00008 0.00018 0.00000 62 2S 0.00239 -0.00042 -0.00054 0.00259 0.00009 63 6 H 1S 0.00006 0.00030 0.00000 0.00004 0.00000 64 2S -0.00031 0.00313 0.00032 -0.00042 -0.00009 65 7 O 1S -0.00011 0.00000 -0.00014 0.00000 0.00000 66 2S 0.00175 -0.00001 0.00149 0.00019 0.00000 67 2PX -0.00098 0.00024 0.00014 -0.00032 0.00000 68 2PY -0.00391 0.00057 -0.00411 0.00089 0.00000 69 2PZ 0.00032 -0.00091 -0.00146 -0.00037 0.00000 70 3S 0.01002 0.00118 0.01200 -0.00278 -0.00009 71 3PX -0.00459 -0.00122 0.00131 -0.00172 -0.00002 72 3PY -0.01561 0.00190 -0.00972 0.00219 -0.00010 73 3PZ 0.00201 -0.00340 -0.00488 -0.00289 0.00004 74 4XX 0.00008 -0.00011 -0.00029 0.00020 0.00000 75 4YY -0.00056 -0.00001 -0.00055 0.00016 0.00000 76 4ZZ -0.00011 0.00004 -0.00014 -0.00003 0.00000 77 4XY -0.00004 0.00001 0.00009 -0.00001 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00002 0.00002 0.00002 0.00000 0.00000 80 8 H 1S -0.00418 0.00003 -0.00397 -0.00012 0.00000 81 2S -0.01561 -0.00006 -0.00811 0.00007 0.00023 82 9 H 1S 0.05282 0.00177 0.01252 0.02525 -0.00145 83 2S 0.03771 -0.00039 0.01031 0.02356 -0.00256 84 10 C 1S 0.00001 0.00004 0.00000 0.00000 0.00000 85 2S -0.00022 -0.00065 0.00000 -0.00006 0.00000 86 2PX -0.00141 -0.00046 -0.00001 -0.00019 0.00001 87 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 88 2PZ -0.00006 0.00001 0.00000 -0.00011 0.00000 89 3S -0.00022 0.00035 0.00000 0.00006 -0.00004 90 3PX -0.00786 -0.00257 -0.00002 -0.00044 0.00027 91 3PY 0.00001 0.00001 -0.00005 0.00000 0.00000 92 3PZ -0.00039 -0.00020 0.00000 0.00051 0.00003 93 4XX 0.00005 0.00034 0.00000 0.00003 0.00000 94 4YY -0.00002 -0.00007 0.00000 0.00000 0.00000 95 4ZZ 0.00000 -0.00009 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S -0.00005 -0.00017 -0.00002 0.00000 0.00000 101 2PX -0.00055 -0.00188 0.00051 -0.00014 0.00000 102 2PY -0.00007 -0.00021 0.00001 -0.00002 0.00000 103 2PZ -0.00003 -0.00012 0.00004 0.00020 0.00000 104 3S -0.00076 -0.00191 -0.00001 -0.00021 -0.00001 105 3PX -0.00413 -0.00956 0.00282 -0.00096 -0.00001 106 3PY -0.00081 -0.00165 0.00000 -0.00014 -0.00001 107 3PZ -0.00023 -0.00061 0.00017 0.00122 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 -0.00001 0.00001 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY -0.00001 0.00001 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00001 -0.00001 0.00000 0.00000 115 2S -0.00020 -0.00047 0.00003 -0.00022 0.00000 116 2PX -0.00015 -0.00029 -0.00009 -0.00033 0.00000 117 2PY -0.00051 -0.00024 -0.00035 -0.00015 0.00000 118 2PZ 0.00013 -0.00025 0.00017 0.00000 0.00000 119 3S -0.00008 0.00010 -0.00080 0.00043 0.00001 120 3PX -0.00065 -0.00161 0.00022 -0.00177 -0.00002 121 3PY -0.00001 0.00159 -0.00060 0.00093 0.00002 122 3PZ 0.00038 -0.00078 -0.00008 -0.00006 -0.00001 123 4XX 0.00004 0.00010 -0.00008 0.00007 0.00000 124 4YY 0.00002 -0.00002 0.00003 -0.00001 0.00000 125 4ZZ -0.00002 -0.00004 0.00001 -0.00002 0.00000 126 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 127 4XZ 0.00001 0.00001 -0.00001 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00001 0.00000 0.00001 0.00000 130 2S -0.00017 -0.00011 -0.00002 -0.00033 0.00000 131 2PX 0.00000 0.00007 -0.00009 0.00003 0.00000 132 2PY -0.00002 -0.00012 0.00002 -0.00001 0.00000 133 2PZ -0.00038 -0.00016 -0.00014 -0.00046 0.00000 134 3S -0.00190 -0.00155 -0.00028 -0.00263 -0.00001 135 3PX 0.00017 0.00026 -0.00044 0.00062 0.00000 136 3PY -0.00011 -0.00060 0.00001 -0.00038 0.00000 137 3PZ -0.00170 -0.00095 -0.00014 -0.00169 0.00000 138 4XX 0.00001 0.00001 0.00000 0.00002 0.00000 139 4YY 0.00000 -0.00001 0.00001 -0.00001 0.00000 140 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00001 0.00000 0.00000 0.00001 0.00000 143 4YZ 0.00001 0.00000 0.00000 0.00001 0.00000 144 14 C 1S 0.00001 0.00002 0.00000 0.00004 0.00000 145 2S -0.00003 -0.00065 -0.00002 -0.00040 0.00000 146 2PX -0.00003 -0.00038 -0.00001 -0.00034 0.00000 147 2PY -0.00001 0.00000 -0.00002 0.00000 0.00000 148 2PZ 0.00044 -0.00139 -0.00005 -0.00007 0.00000 149 3S 0.00071 -0.00064 -0.00007 0.00100 0.00004 150 3PX -0.00008 -0.00045 -0.00004 -0.00007 0.00004 151 3PY 0.00000 0.00004 -0.00002 0.00005 0.00000 152 3PZ 0.00096 -0.00201 -0.00009 0.00026 -0.00011 153 4XX 0.00000 -0.00002 0.00000 -0.00006 0.00000 154 4YY -0.00002 -0.00004 0.00000 -0.00006 0.00000 155 4ZZ 0.00004 0.00017 0.00000 0.00016 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00002 0.00009 0.00000 0.00014 0.00000 158 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 159 15 C 1S 0.00016 0.00003 0.00000 0.00004 0.00000 160 2S -0.00065 -0.00040 -0.00033 0.00025 0.00003 161 2PX 0.00234 0.00812 0.00105 0.00632 0.00012 162 2PY 0.00090 0.00149 0.00026 0.00056 0.00002 163 2PZ -0.00066 0.00512 0.00060 0.00003 0.00006 164 3S 0.00126 0.00341 0.00015 0.00207 0.00056 165 3PX 0.00244 0.01261 0.00214 0.01154 0.00070 166 3PY 0.00172 0.00220 -0.00001 0.00088 0.00021 167 3PZ 0.00107 0.01182 0.00151 -0.00216 0.00048 168 4XX 0.00037 0.00046 0.00013 0.00026 -0.00001 169 4YY -0.00017 -0.00022 0.00000 -0.00007 0.00000 170 4ZZ -0.00001 0.00002 -0.00004 -0.00001 0.00000 171 4XY 0.00003 0.00005 0.00000 0.00005 0.00000 172 4XZ 0.00009 0.00022 0.00006 0.00001 0.00000 173 4YZ 0.00000 0.00004 0.00000 0.00000 0.00000 174 16 H 1S 0.00001 0.00001 0.00000 -0.00002 0.00000 175 2S 0.00027 0.00048 0.00001 -0.00021 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S -0.00007 -0.00003 -0.00001 0.00004 0.00000 178 18 H 1S 0.00001 -0.00001 0.00003 0.00000 0.00000 179 2S 0.00040 0.00008 0.00046 0.00007 0.00000 180 19 H 1S 0.00000 0.00002 -0.00004 0.00001 0.00000 181 2S 0.00028 0.00011 0.00013 0.00001 0.00000 182 20 H 1S -0.00007 -0.00022 -0.00006 -0.00067 0.00000 183 2S -0.00144 -0.00106 -0.00020 -0.00526 -0.00007 184 21 H 1S -0.00055 -0.00060 0.00020 -0.00018 0.00000 185 2S -0.00322 -0.00284 0.00072 -0.00110 -0.00002 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00012 0.00003 0.00003 0.00015 0.00000 188 23 H 1S 0.00000 0.00004 0.00000 0.00002 0.00000 189 2S 0.00004 0.00100 0.00008 0.00076 0.00000 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 O 1S 0.00001 0.00000 -0.00005 -0.00008 -0.00003 17 2S -0.00019 0.00007 0.00089 0.00157 0.00056 18 2PX -0.00048 0.00157 0.00038 0.00289 0.00116 19 2PY 0.00017 0.00023 0.00025 0.00116 0.00016 20 2PZ -0.00031 -0.00055 0.00125 0.00026 -0.00003 21 3S -0.00007 -0.00012 0.00096 0.00101 0.00085 22 3PX -0.00143 0.00390 0.00001 0.00088 0.00070 23 3PY -0.00054 0.00045 0.00071 0.00077 0.00045 24 3PZ -0.00099 -0.00197 0.00073 -0.00001 0.00002 25 4XX -0.00001 0.00008 0.00004 0.00005 -0.00001 26 4YY -0.00004 0.00002 0.00002 0.00009 0.00001 27 4ZZ 0.00001 -0.00001 0.00000 -0.00002 -0.00001 28 4XY 0.00001 0.00004 0.00000 0.00013 -0.00003 29 4XZ -0.00003 -0.00001 0.00003 0.00005 0.00000 30 4YZ 0.00000 -0.00003 -0.00002 0.00001 0.00000 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S -0.00001 0.00002 0.00002 0.00001 0.00002 33 2PX -0.00002 0.00006 0.00004 0.00006 0.00004 34 2PY 0.00000 0.00003 0.00000 0.00000 0.00000 35 2PZ -0.00002 0.00003 0.00004 0.00005 0.00002 36 3S -0.00010 0.00015 0.00005 -0.00005 0.00008 37 3PX -0.00015 0.00042 0.00005 0.00006 0.00006 38 3PY 0.00003 0.00009 -0.00007 -0.00006 -0.00006 39 3PZ -0.00013 -0.00008 0.00002 -0.00001 0.00004 40 4XX 0.00000 0.00001 0.00000 0.00001 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 -0.00001 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00001 0.00000 0.00001 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S -0.00027 0.00000 0.00000 0.00000 0.00000 47 2S 0.00367 -0.00064 0.00000 0.00000 0.00000 48 2PX 0.00000 0.00000 0.00205 0.00000 0.00000 49 2PY 0.00315 -0.00128 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00234 51 3S 0.00361 -0.00207 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.00113 0.00000 0.00000 53 3PY 0.00143 -0.00096 0.00000 0.00000 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00113 55 4XX -0.00005 0.00000 0.00000 0.00000 0.00000 56 4YY -0.00005 -0.00004 0.00000 0.00000 0.00000 57 4ZZ -0.00004 0.00005 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 -0.00018 61 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00016 -0.00001 -0.00003 0.00001 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S 0.00001 0.00003 0.00000 0.00001 -0.00001 65 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 0.00000 67 2PX 0.00001 0.00000 0.00001 0.00000 0.00001 68 2PY 0.00002 0.00000 0.00001 0.00000 0.00001 69 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 70 3S 0.00013 0.00004 0.00003 -0.00003 0.00000 71 3PX 0.00012 0.00008 0.00007 0.00000 0.00007 72 3PY 0.00036 0.00002 0.00013 -0.00004 0.00009 73 3PZ 0.00004 -0.00004 0.00004 0.00000 -0.00001 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00001 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 H 1S 0.00001 0.00000 0.00000 0.00000 0.00004 81 2S -0.00027 0.00027 0.00001 0.00001 0.00022 82 9 H 1S -0.00033 0.00234 0.00041 0.00023 0.00377 83 2S -0.00044 0.00314 0.00010 0.00003 0.00064 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00001 0.00001 0.00000 0.00000 0.00000 90 3PX -0.00003 -0.00001 0.00000 0.00002 0.00000 91 3PY 0.00000 0.00000 -0.00002 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00001 0.00000 0.00000 0.00000 105 3PX -0.00001 0.00003 -0.00001 -0.00001 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00001 -0.00001 0.00001 0.00000 0.00001 120 3PX 0.00000 0.00001 0.00007 -0.00002 0.00005 121 3PY 0.00001 -0.00002 0.00002 0.00001 0.00001 122 3PZ 0.00000 0.00000 0.00004 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00002 0.00000 -0.00001 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ -0.00001 0.00002 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S -0.00002 0.00001 0.00000 0.00002 0.00000 150 3PX -0.00001 -0.00003 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 152 3PZ 0.00000 0.00015 0.00000 0.00002 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00001 0.00002 0.00001 161 2PX -0.00001 -0.00003 0.00002 0.00007 0.00001 162 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 163 2PZ 0.00000 -0.00001 0.00001 0.00001 0.00000 164 3S -0.00011 -0.00023 -0.00001 0.00006 0.00000 165 3PX -0.00015 -0.00026 0.00006 0.00018 0.00007 166 3PY -0.00003 -0.00012 0.00004 0.00002 0.00001 167 3PZ -0.00009 -0.00012 0.00003 0.00001 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00002 0.00011 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00005 -0.00001 0.00000 0.00000 0.00001 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 16 17 18 19 20 16 2 O 1S 2.07557 17 2S -0.04159 0.50359 18 2PX 0.00000 0.00000 0.64791 19 2PY 0.00000 0.00000 0.00000 0.66562 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.71650 21 3S -0.04102 0.45246 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.20361 0.00000 0.00000 23 3PY 0.00000 0.00000 0.00000 0.21182 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.23211 25 4XX -0.00051 -0.00156 0.00000 0.00000 0.00000 26 4YY -0.00042 -0.00456 0.00000 0.00000 0.00000 27 4ZZ -0.00047 -0.00299 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 -0.00001 -0.00005 -0.00022 -0.00005 32 2S -0.00001 0.00022 0.00251 0.01256 0.00249 33 2PX -0.00012 0.00238 -0.00016 0.01062 0.00213 34 2PY -0.00042 0.00832 0.00934 0.02341 0.01090 35 2PZ -0.00012 0.00236 0.00233 0.01134 -0.00004 36 3S 0.00106 -0.01601 0.00165 0.01000 0.00124 37 3PX 0.00013 -0.00145 0.00018 0.00431 0.00177 38 3PY -0.00015 0.00066 0.00390 0.00085 0.00528 39 3PZ 0.00011 -0.00119 0.00263 0.00439 0.00255 40 4XX 0.00001 -0.00028 0.00005 0.00007 0.00031 41 4YY -0.00008 0.00199 0.00137 -0.00048 0.00163 42 4ZZ 0.00001 -0.00022 0.00030 0.00008 0.00002 43 4XY -0.00004 0.00093 -0.00007 0.00225 0.00135 44 4XZ -0.00001 0.00019 -0.00001 0.00099 -0.00001 45 4YZ -0.00005 0.00114 0.00132 0.00250 -0.00012 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00003 -0.00005 -0.00016 0.00000 48 2PX 0.00000 -0.00003 0.00010 -0.00010 -0.00008 49 2PY 0.00000 -0.00007 -0.00012 -0.00034 -0.00014 50 2PZ 0.00000 -0.00003 -0.00007 -0.00004 0.00002 51 3S -0.00011 0.00175 -0.00098 -0.00391 0.00032 52 3PX 0.00000 -0.00001 0.00024 0.00057 -0.00091 53 3PY -0.00014 0.00149 0.00014 -0.00411 -0.00146 54 3PZ 0.00000 0.00019 -0.00032 0.00089 -0.00037 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00001 0.00002 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00001 0.00001 0.00001 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00001 0.00001 0.00000 61 5 H 1S 0.00000 -0.00004 0.00002 -0.00003 -0.00026 62 2S 0.00005 -0.00073 0.00089 -0.00090 -0.00756 63 6 H 1S 0.00000 -0.00005 -0.00023 -0.00003 0.00003 64 2S 0.00006 -0.00107 -0.00553 -0.00102 0.00091 65 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 67 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 68 2PY 0.00000 -0.00001 0.00000 -0.00009 0.00000 69 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 3S -0.00002 0.00039 0.00000 -0.00113 0.00000 71 3PX 0.00000 0.00000 0.00005 0.00000 0.00000 72 3PY 0.00002 -0.00063 0.00000 -0.00629 0.00000 73 3PZ 0.00000 0.00000 0.00000 0.00000 0.00014 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00003 0.00010 0.00014 -0.00001 82 9 H 1S 0.00000 -0.00006 -0.00004 -0.00001 -0.00014 83 2S 0.00016 -0.00225 -0.00058 -0.00012 -0.00325 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00000 0.00000 0.00000 0.00000 90 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00001 0.00001 0.00000 121 3PY 0.00000 -0.00001 -0.00001 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00002 0.00000 0.00001 135 3PX 0.00000 0.00000 -0.00001 -0.00002 0.00002 136 3PY 0.00000 0.00000 -0.00002 0.00000 -0.00001 137 3PZ 0.00000 0.00000 0.00000 0.00001 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 -0.00009 -0.00006 0.00002 -0.00006 150 3PX 0.00000 -0.00007 -0.00019 0.00004 -0.00031 151 3PY 0.00000 -0.00001 -0.00004 -0.00002 -0.00004 152 3PZ 0.00000 0.00001 0.00028 -0.00002 0.00019 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00004 -0.00039 -0.00002 -0.00005 165 3PX -0.00001 0.00008 -0.00078 0.00002 -0.00006 166 3PY 0.00000 0.00001 -0.00007 0.00001 -0.00001 167 3PZ 0.00000 -0.00002 -0.00008 0.00000 0.00011 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00001 -0.00001 0.00001 -0.00001 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S -0.00001 0.00014 0.00058 0.00001 0.00128 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00002 0.00000 0.00002 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 21 22 23 24 25 21 3S 0.75617 22 3PX 0.00000 0.26577 23 3PY 0.00000 0.00000 0.26980 24 3PZ 0.00000 0.00000 0.00000 0.30849 25 4XX -0.00294 0.00000 0.00000 0.00000 0.00104 26 4YY -0.01283 0.00000 0.00000 0.00000 -0.00011 27 4ZZ -0.00451 0.00000 0.00000 0.00000 0.00001 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 0.00084 -0.00032 -0.00300 -0.00029 0.00000 32 2S -0.01440 0.00325 0.02932 0.00288 -0.00010 33 2PX 0.00278 -0.00392 0.01402 0.00123 -0.00008 34 2PY 0.00788 0.00863 0.01969 0.01198 -0.00038 35 2PZ 0.00308 0.00160 0.01545 -0.00395 -0.00003 36 3S -0.06227 0.00174 0.02199 -0.00041 0.00031 37 3PX -0.00434 0.00062 0.00668 0.00232 -0.00032 38 3PY -0.00312 0.00455 -0.00009 0.00761 -0.00014 39 3PZ -0.00504 0.00430 0.00682 0.00837 -0.00005 40 4XX -0.00147 -0.00113 0.00041 0.00137 0.00003 41 4YY 0.00617 0.00172 -0.00079 0.00233 -0.00010 42 4ZZ -0.00165 0.00131 0.00022 -0.00138 -0.00003 43 4XY 0.00069 0.00056 0.00092 0.00087 0.00000 44 4XZ 0.00008 0.00004 0.00063 0.00003 0.00000 45 4YZ 0.00088 0.00085 0.00103 0.00059 -0.00006 46 4 C 1S -0.00001 0.00004 0.00011 -0.00001 0.00000 47 2S -0.00015 -0.00104 -0.00329 0.00015 0.00000 48 2PX -0.00043 0.00070 -0.00122 -0.00130 -0.00001 49 2PY 0.00138 -0.00111 -0.00346 -0.00196 -0.00005 50 2PZ -0.00129 -0.00130 -0.00068 -0.00025 0.00002 51 3S 0.01002 -0.00459 -0.01561 0.00201 0.00008 52 3PX 0.00118 -0.00122 0.00190 -0.00340 -0.00011 53 3PY 0.01200 0.00131 -0.00972 -0.00487 -0.00029 54 3PZ -0.00278 -0.00172 0.00219 -0.00289 0.00020 55 4XX -0.00009 -0.00002 -0.00010 0.00004 0.00000 56 4YY 0.00013 0.00012 0.00036 0.00004 0.00000 57 4ZZ 0.00004 0.00008 0.00002 -0.00004 0.00000 58 4XY 0.00003 0.00007 0.00013 0.00004 0.00000 59 4XZ -0.00003 0.00000 -0.00004 0.00000 0.00000 60 4YZ 0.00000 0.00007 0.00009 -0.00001 0.00000 61 5 H 1S -0.00186 0.00062 -0.00064 -0.00614 -0.00001 62 2S -0.00585 0.00419 -0.00312 -0.03003 -0.00022 63 6 H 1S -0.00165 -0.00522 -0.00040 0.00076 0.00010 64 2S -0.00220 -0.02178 -0.00267 0.00434 0.00072 65 7 O 1S -0.00002 0.00000 0.00002 0.00000 0.00000 66 2S 0.00039 0.00000 -0.00063 0.00000 0.00000 67 2PX 0.00000 0.00005 0.00000 0.00000 0.00000 68 2PY -0.00113 0.00000 -0.00629 0.00000 0.00000 69 2PZ 0.00000 0.00000 0.00000 0.00014 0.00000 70 3S 0.00661 0.00000 -0.00516 0.00000 -0.00002 71 3PX 0.00000 0.00052 0.00000 0.00000 0.00000 72 3PY -0.00516 0.00000 -0.02518 0.00000 -0.00006 73 3PZ 0.00000 0.00000 0.00000 0.00163 0.00000 74 4XX -0.00002 0.00000 -0.00006 0.00000 0.00000 75 4YY -0.00029 0.00000 0.00002 0.00000 0.00000 76 4ZZ 0.00002 0.00000 -0.00005 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 H 1S 0.00001 0.00002 0.00003 0.00000 0.00000 81 2S 0.00029 0.00085 0.00122 -0.00018 0.00000 82 9 H 1S -0.00308 -0.00017 -0.00010 -0.00288 0.00003 83 2S -0.01369 0.00033 -0.00030 -0.01157 0.00011 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00008 -0.00002 -0.00003 0.00000 90 3PX 0.00024 0.00030 -0.00003 -0.00005 -0.00001 91 3PY 0.00001 0.00004 0.00001 0.00000 0.00000 92 3PZ -0.00003 0.00002 0.00000 0.00003 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00002 0.00004 0.00001 0.00000 0.00000 105 3PX 0.00006 0.00032 0.00002 -0.00004 0.00000 106 3PY 0.00001 0.00005 0.00000 0.00000 0.00000 107 3PZ 0.00000 -0.00003 0.00001 -0.00001 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S -0.00007 -0.00007 -0.00007 -0.00001 0.00000 120 3PX -0.00005 0.00013 0.00009 0.00000 0.00000 121 3PY -0.00008 -0.00022 -0.00003 -0.00002 0.00000 122 3PZ -0.00001 0.00000 0.00000 0.00002 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00001 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 134 3S 0.00006 0.00035 -0.00004 0.00015 0.00000 135 3PX -0.00005 -0.00009 -0.00024 0.00012 0.00000 136 3PY -0.00001 -0.00017 -0.00002 -0.00007 0.00000 137 3PZ 0.00012 0.00008 0.00010 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S -0.00001 -0.00005 0.00000 -0.00002 0.00000 146 2PX -0.00010 -0.00014 0.00000 -0.00010 0.00000 147 2PY 0.00000 -0.00001 0.00000 -0.00001 0.00000 148 2PZ -0.00004 -0.00005 -0.00001 0.00002 0.00000 149 3S -0.00078 -0.00049 0.00015 -0.00046 -0.00001 150 3PX -0.00100 -0.00116 0.00019 -0.00169 -0.00001 151 3PY -0.00007 -0.00026 -0.00015 -0.00024 -0.00001 152 3PZ -0.00014 0.00167 -0.00013 0.00090 0.00002 153 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 -0.00001 0.00000 -0.00001 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 -0.00011 0.00000 -0.00001 0.00000 161 2PX -0.00009 -0.00099 -0.00001 -0.00009 0.00000 162 2PY 0.00000 -0.00002 0.00000 0.00000 0.00000 163 2PZ 0.00001 -0.00003 0.00000 0.00005 0.00000 164 3S 0.00004 -0.00341 -0.00013 -0.00044 -0.00002 165 3PX 0.00079 -0.00509 0.00011 -0.00047 0.00010 166 3PY 0.00005 -0.00042 0.00010 -0.00005 0.00000 167 3PZ -0.00007 -0.00053 -0.00002 0.00119 0.00001 168 4XX -0.00001 0.00003 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00016 -0.00013 0.00017 -0.00008 0.00000 182 20 H 1S -0.00014 0.00000 0.00000 -0.00002 0.00000 183 2S 0.00092 0.00353 0.00007 0.00672 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00026 0.00011 0.00012 0.00001 -0.00001 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 -0.00001 0.00000 -0.00001 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00004 0.00000 0.00000 -0.00002 0.00000 26 27 28 29 30 26 4YY 0.00294 27 4ZZ -0.00008 0.00079 28 4XY 0.00000 0.00000 0.00161 29 4XZ 0.00000 0.00000 0.00000 0.00045 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00151 31 3 C 1S -0.00016 0.00000 -0.00006 -0.00001 -0.00007 32 2S 0.00280 -0.00007 0.00071 0.00011 0.00087 33 2PX 0.00180 0.00002 0.00006 0.00003 0.00054 34 2PY 0.00191 -0.00017 0.00036 0.00010 0.00075 35 2PZ 0.00188 -0.00009 0.00043 0.00001 0.00002 36 3S 0.00289 0.00029 0.00025 0.00002 0.00030 37 3PX 0.00087 0.00001 0.00017 0.00007 0.00012 38 3PY 0.00032 0.00018 0.00004 -0.00001 0.00005 39 3PZ 0.00093 -0.00026 0.00013 0.00005 0.00021 40 4XX -0.00001 -0.00004 0.00000 0.00000 0.00000 41 4YY -0.00006 -0.00008 0.00009 -0.00005 0.00010 42 4ZZ 0.00002 0.00003 0.00000 0.00000 0.00000 43 4XY 0.00014 -0.00005 0.00000 0.00000 0.00010 44 4XZ 0.00015 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00018 0.00000 0.00007 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S -0.00003 0.00000 0.00002 0.00000 0.00002 48 2PX -0.00001 0.00001 0.00002 0.00000 0.00002 49 2PY -0.00005 -0.00002 0.00012 0.00001 0.00007 50 2PZ 0.00001 0.00000 -0.00001 0.00000 0.00000 51 3S -0.00056 -0.00011 -0.00004 0.00000 0.00002 52 3PX -0.00001 0.00004 0.00001 0.00000 0.00002 53 3PY -0.00055 -0.00014 0.00009 0.00000 0.00002 54 3PZ 0.00016 -0.00003 -0.00001 0.00000 0.00000 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00001 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00001 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 H 1S 0.00000 0.00009 0.00000 0.00001 0.00003 62 2S -0.00014 0.00078 0.00002 0.00003 -0.00016 63 6 H 1S 0.00000 -0.00001 0.00003 0.00001 0.00000 64 2S -0.00028 -0.00023 -0.00009 0.00002 0.00001 65 7 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 66 2S 0.00000 0.00000 0.00000 0.00000 0.00000 67 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 68 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 69 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 3S -0.00029 0.00002 0.00000 0.00000 0.00000 71 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 72 3PY 0.00002 -0.00005 0.00000 0.00000 0.00000 73 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YY 0.00003 0.00000 0.00000 0.00000 0.00000 76 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00002 -0.00001 0.00000 0.00000 -0.00001 82 9 H 1S 0.00000 0.00008 0.00001 0.00006 0.00001 83 2S 0.00015 0.00047 0.00002 0.00007 0.00004 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00000 0.00000 0.00000 0.00000 90 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00001 0.00000 0.00000 0.00001 0.00000 150 3PX 0.00002 0.00001 0.00000 0.00002 -0.00001 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ -0.00001 0.00000 0.00000 0.00001 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00002 0.00000 0.00000 0.00000 0.00000 165 3PX -0.00003 -0.00005 0.00001 0.00000 0.00000 166 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S -0.00008 0.00005 0.00000 0.00004 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 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 31 32 33 34 35 31 3 C 1S 2.04980 32 2S -0.01427 0.34291 33 2PX 0.00000 0.00000 0.42805 34 2PY 0.00000 0.00000 0.00000 0.29269 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.42488 36 3S -0.02762 0.21128 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.08854 0.00000 0.00000 38 3PY 0.00000 0.00000 0.00000 0.04043 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.08273 40 4XX -0.00141 0.00019 0.00000 0.00000 0.00000 41 4YY -0.00104 -0.00728 0.00000 0.00000 0.00000 42 4ZZ -0.00140 -0.00031 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 -0.00016 -0.00038 -0.00003 -0.00024 48 2PX 0.00000 -0.00030 -0.00036 -0.00032 -0.00061 49 2PY 0.00000 -0.00018 -0.00014 0.00000 -0.00016 50 2PZ 0.00000 -0.00012 -0.00041 -0.00029 -0.00003 51 3S 0.00006 -0.00090 -0.00264 0.00040 -0.00187 52 3PX 0.00014 -0.00167 -0.00116 -0.00157 -0.00288 53 3PY 0.00007 -0.00102 -0.00012 -0.00078 -0.00017 54 3PZ 0.00002 0.00026 -0.00122 -0.00112 0.00021 55 4XX 0.00000 0.00001 0.00005 0.00000 0.00004 56 4YY 0.00000 -0.00001 -0.00002 0.00000 -0.00002 57 4ZZ 0.00000 0.00002 0.00006 0.00003 0.00003 58 4XY 0.00000 0.00002 0.00004 0.00000 0.00004 59 4XZ 0.00000 0.00001 0.00006 0.00000 0.00005 60 4YZ 0.00000 0.00002 0.00004 0.00000 0.00002 61 5 H 1S -0.00189 0.03298 0.00488 0.00000 0.09572 62 2S -0.00105 0.01599 0.00409 0.00000 0.05685 63 6 H 1S -0.00189 0.03335 0.09740 0.00000 0.00386 64 2S -0.00112 0.01682 0.05688 0.00000 0.00314 65 7 O 1S 0.00000 -0.00001 -0.00012 -0.00042 -0.00012 66 2S -0.00001 0.00022 0.00238 0.00832 0.00236 67 2PX -0.00005 0.00251 -0.00016 0.00934 0.00233 68 2PY -0.00022 0.01257 0.01062 0.02342 0.01134 69 2PZ -0.00005 0.00249 0.00213 0.01090 -0.00004 70 3S 0.00084 -0.01440 0.00278 0.00788 0.00307 71 3PX -0.00032 0.00325 -0.00392 0.00863 0.00160 72 3PY -0.00300 0.02932 0.01402 0.01971 0.01545 73 3PZ -0.00029 0.00287 0.00123 0.01197 -0.00395 74 4XX 0.00000 -0.00010 -0.00008 -0.00038 -0.00003 75 4YY -0.00016 0.00280 0.00180 0.00191 0.00188 76 4ZZ 0.00000 -0.00007 0.00002 -0.00017 -0.00009 77 4XY -0.00006 0.00071 0.00006 0.00037 0.00043 78 4XZ -0.00001 0.00011 0.00003 0.00010 0.00001 79 4YZ -0.00007 0.00087 0.00054 0.00075 0.00002 80 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00000 0.00020 0.00020 0.00017 0.00029 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00000 0.00020 0.00020 0.00017 0.00029 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00000 0.00000 0.00000 0.00000 90 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00001 0.00002 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00001 -0.00001 0.00000 121 3PY 0.00000 0.00000 0.00001 0.00000 0.00000 122 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 -0.00001 -0.00002 0.00001 -0.00003 135 3PX 0.00000 -0.00004 -0.00005 0.00000 -0.00006 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 137 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 -0.00001 -0.00002 0.00001 -0.00003 150 3PX 0.00000 -0.00004 -0.00005 0.00000 -0.00007 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 152 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00001 0.00002 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00001 -0.00001 0.00000 166 3PY 0.00000 0.00000 0.00001 0.00000 0.00000 167 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00001 -0.00016 -0.00018 -0.00006 -0.00001 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00001 -0.00016 -0.00018 -0.00006 -0.00001 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 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 36 37 38 39 40 36 3S 0.23348 37 3PX 0.00000 0.06207 38 3PY 0.00000 0.00000 0.02606 39 3PZ 0.00000 0.00000 0.00000 0.06494 40 4XX 0.00151 0.00000 0.00000 0.00000 0.00335 41 4YY -0.00812 0.00000 0.00000 0.00000 -0.00041 42 4ZZ 0.00201 0.00000 0.00000 0.00000 -0.00055 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 0.00009 0.00018 0.00001 0.00012 0.00000 47 2S -0.00098 -0.00203 -0.00026 -0.00154 0.00004 48 2PX -0.00291 -0.00095 -0.00173 -0.00361 0.00011 49 2PY -0.00149 -0.00093 -0.00001 -0.00101 -0.00001 50 2PZ -0.00044 -0.00124 -0.00153 0.00036 0.00010 51 3S 0.00149 -0.00468 0.00071 -0.00045 0.00003 52 3PX -0.00488 -0.00073 -0.00141 -0.00620 0.00036 53 3PY -0.00286 -0.00046 -0.00035 -0.00134 0.00003 54 3PZ 0.00277 -0.00116 -0.00109 0.00048 0.00020 55 4XX -0.00004 -0.00001 -0.00017 0.00044 -0.00001 56 4YY -0.00010 -0.00015 0.00003 -0.00013 0.00000 57 4ZZ 0.00015 0.00042 0.00009 -0.00008 0.00001 58 4XY 0.00005 0.00005 -0.00007 0.00002 0.00000 59 4XZ -0.00005 0.00006 -0.00006 -0.00001 0.00001 60 4YZ 0.00008 0.00006 -0.00006 0.00004 0.00000 61 5 H 1S 0.04348 0.00168 0.00000 0.04186 -0.00142 62 2S 0.03018 0.00184 0.00000 0.02576 -0.00569 63 6 H 1S 0.03985 0.04873 0.00000 0.00026 0.00897 64 2S 0.02109 0.04010 0.00000 -0.00020 0.00902 65 7 O 1S 0.00106 0.00013 -0.00015 0.00011 0.00001 66 2S -0.01601 -0.00145 0.00066 -0.00118 -0.00028 67 2PX 0.00165 0.00018 0.00390 0.00263 0.00005 68 2PY 0.01000 0.00431 0.00085 0.00439 0.00007 69 2PZ 0.00124 0.00176 0.00528 0.00255 0.00031 70 3S -0.06227 -0.00434 -0.00312 -0.00504 -0.00147 71 3PX 0.00174 0.00062 0.00456 0.00430 -0.00113 72 3PY 0.02200 0.00668 -0.00009 0.00681 0.00041 73 3PZ -0.00041 0.00232 0.00760 0.00838 0.00137 74 4XX 0.00031 -0.00032 -0.00014 -0.00005 0.00003 75 4YY 0.00289 0.00087 0.00032 0.00093 -0.00001 76 4ZZ 0.00029 0.00001 0.00018 -0.00026 -0.00004 77 4XY 0.00025 0.00017 0.00004 0.00013 0.00000 78 4XZ 0.00002 0.00007 -0.00001 0.00005 0.00000 79 4YZ 0.00030 0.00012 0.00005 0.00021 0.00000 80 8 H 1S 0.00014 0.00015 0.00019 0.00008 0.00000 81 2S 0.00131 0.00123 0.00115 0.00056 0.00001 82 9 H 1S 0.00014 0.00015 0.00018 0.00008 0.00000 83 2S 0.00131 0.00123 0.00115 0.00056 0.00001 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S -0.00001 0.00000 0.00000 0.00000 0.00000 90 3PX -0.00004 -0.00003 0.00000 -0.00005 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S -0.00001 0.00000 0.00000 0.00000 0.00000 105 3PX -0.00004 -0.00003 0.00000 -0.00005 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00002 0.00000 0.00000 0.00001 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00009 0.00002 -0.00005 0.00002 -0.00001 120 3PX 0.00016 -0.00008 -0.00006 0.00004 -0.00001 121 3PY 0.00004 -0.00005 0.00000 0.00002 -0.00001 122 3PZ -0.00002 -0.00002 0.00000 0.00010 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S -0.00002 0.00002 0.00000 -0.00001 0.00000 131 2PX -0.00006 0.00014 0.00003 -0.00013 0.00000 132 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 133 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 134 3S -0.00008 0.00016 0.00001 -0.00013 0.00001 135 3PX -0.00026 0.00044 -0.00001 -0.00058 0.00000 136 3PY 0.00001 0.00013 -0.00001 0.00006 0.00000 137 3PZ -0.00001 0.00005 0.00002 -0.00007 0.00001 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S -0.00002 0.00002 0.00000 -0.00001 0.00000 146 2PX -0.00006 0.00014 0.00003 -0.00013 0.00000 147 2PY 0.00000 0.00002 0.00000 0.00001 0.00000 148 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 149 3S -0.00008 0.00016 0.00001 -0.00013 0.00001 150 3PX -0.00026 0.00044 -0.00001 -0.00058 0.00000 151 3PY 0.00001 0.00013 -0.00001 0.00006 0.00000 152 3PZ -0.00001 0.00005 0.00002 -0.00007 0.00001 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00002 0.00000 0.00000 0.00001 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00009 0.00002 -0.00005 0.00002 -0.00001 165 3PX 0.00016 -0.00008 -0.00006 0.00004 -0.00001 166 3PY 0.00004 -0.00005 0.00000 0.00002 -0.00001 167 3PZ -0.00002 -0.00002 0.00000 0.00010 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S -0.00001 -0.00001 -0.00001 0.00000 0.00000 180 19 H 1S -0.00011 0.00017 0.00009 -0.00022 0.00000 181 2S -0.00101 0.00046 0.00062 0.00006 0.00004 182 20 H 1S -0.00011 0.00017 0.00009 -0.00022 0.00000 183 2S -0.00101 0.00046 0.00062 0.00006 0.00004 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S -0.00001 -0.00001 -0.00001 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00002 -0.00002 -0.00001 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00002 -0.00002 -0.00001 0.00000 0.00000 41 42 43 44 45 41 4YY 0.00343 42 4ZZ -0.00046 0.00350 43 4XY 0.00000 0.00000 0.00248 44 4XZ 0.00000 0.00000 0.00000 0.00106 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00274 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S -0.00002 0.00001 0.00002 0.00001 0.00000 48 2PX -0.00006 0.00007 0.00000 0.00009 0.00004 49 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 50 2PZ -0.00004 0.00003 0.00004 0.00004 -0.00001 51 3S -0.00023 0.00025 0.00002 -0.00010 0.00000 52 3PX -0.00041 0.00021 -0.00009 0.00005 0.00002 53 3PY 0.00006 -0.00012 -0.00004 0.00002 -0.00005 54 3PZ -0.00032 0.00017 -0.00003 0.00001 -0.00004 55 4XX 0.00000 0.00001 0.00000 0.00001 0.00001 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 -0.00001 0.00001 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00001 0.00001 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 H 1S -0.00145 0.00894 0.00000 0.00061 0.00000 62 2S -0.00314 0.01031 0.00000 0.00010 0.00000 63 6 H 1S -0.00137 -0.00146 0.00000 0.00049 0.00000 64 2S -0.00240 -0.00536 0.00000 0.00008 0.00000 65 7 O 1S -0.00008 0.00001 -0.00004 -0.00001 -0.00005 66 2S 0.00199 -0.00022 0.00093 0.00019 0.00114 67 2PX 0.00137 0.00030 -0.00007 -0.00001 0.00132 68 2PY -0.00048 0.00008 0.00225 0.00099 0.00250 69 2PZ 0.00163 0.00002 0.00135 -0.00001 -0.00012 70 3S 0.00617 -0.00165 0.00069 0.00008 0.00088 71 3PX 0.00172 0.00131 0.00056 0.00004 0.00085 72 3PY -0.00079 0.00022 0.00092 0.00063 0.00103 73 3PZ 0.00233 -0.00138 0.00087 0.00003 0.00059 74 4XX -0.00010 -0.00003 0.00000 0.00000 -0.00006 75 4YY -0.00006 0.00002 0.00014 0.00015 0.00018 76 4ZZ -0.00008 0.00003 -0.00005 0.00000 0.00000 77 4XY 0.00009 0.00000 0.00000 0.00000 0.00007 78 4XZ -0.00005 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00010 0.00000 0.00010 0.00000 0.00000 80 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 81 2S 0.00001 -0.00003 0.00000 0.00000 0.00000 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S 0.00001 -0.00003 0.00000 0.00000 0.00000 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00000 0.00000 0.00000 0.00000 90 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 119 3S 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00000 0.00000 0.00000 135 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00002 -0.00005 0.00002 0.00001 0.00002 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00002 -0.00005 0.00002 0.00001 0.00002 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 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 2.05255 47 2S -0.01388 0.33288 48 2PX 0.00000 0.00000 0.34621 49 2PY 0.00000 0.00000 0.00000 0.43071 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.37881 51 3S -0.03170 0.22133 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.09507 0.00000 0.00000 53 3PY 0.00000 0.00000 0.00000 0.07004 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.09297 55 4XX -0.00093 -0.00929 0.00000 0.00000 0.00000 56 4YY -0.00136 -0.00072 0.00000 0.00000 0.00000 57 4ZZ -0.00124 -0.00291 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 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00009 -0.00002 -0.00002 0.00051 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S 0.00000 0.00017 0.00068 0.00002 0.00003 65 7 O 1S 0.00000 -0.00006 -0.00048 -0.00006 -0.00028 66 2S -0.00002 0.00104 0.00849 0.00171 0.00516 67 2PX -0.00024 0.01219 0.01590 0.00661 0.01964 68 2PY -0.00005 0.00218 0.00602 -0.00067 0.00301 69 2PZ -0.00011 0.00478 0.01887 0.00318 0.00253 70 3S 0.00061 -0.00735 0.01469 -0.00371 0.00746 71 3PX -0.00226 0.02342 0.01029 0.00755 0.02076 72 3PY -0.00071 0.00625 0.00942 -0.00375 0.00481 73 3PZ -0.00096 0.00742 0.01889 0.00399 -0.00207 74 4XX -0.00009 0.00127 -0.00098 0.00104 0.00161 75 4YY -0.00001 0.00012 0.00061 0.00000 0.00028 76 4ZZ -0.00001 0.00009 0.00030 0.00043 -0.00046 77 4XY -0.00008 0.00088 0.00084 0.00020 0.00115 78 4XZ -0.00015 0.00130 0.00070 0.00034 -0.00008 79 4YZ -0.00004 0.00036 0.00123 0.00018 0.00005 80 8 H 1S -0.00236 0.03823 0.00581 0.03854 0.05488 81 2S -0.00192 0.02241 0.00246 0.02222 0.03132 82 9 H 1S 0.00000 -0.00020 -0.00001 -0.00045 0.00000 83 2S 0.00024 -0.00382 -0.00027 -0.00595 -0.00030 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 -0.00003 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00003 -0.00037 0.00000 -0.00002 90 3PX 0.00002 -0.00038 -0.00238 0.00019 -0.00018 91 3PY 0.00000 -0.00004 -0.00037 -0.00001 -0.00002 92 3PZ 0.00000 -0.00003 -0.00012 0.00002 0.00015 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 101 2PX 0.00000 -0.00002 -0.00008 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00001 -0.00029 0.00030 0.00000 -0.00001 105 3PX 0.00006 -0.00144 -0.00169 -0.00001 -0.00008 106 3PY 0.00000 0.00000 0.00000 -0.00003 0.00000 107 3PZ 0.00000 -0.00004 -0.00016 0.00000 0.00001 108 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 -0.00008 0.00003 -0.00002 0.00007 116 2PX 0.00000 0.00013 0.00204 0.00020 0.00111 117 2PY 0.00000 0.00001 0.00028 -0.00001 0.00010 118 2PZ 0.00000 0.00005 0.00071 0.00004 0.00022 119 3S 0.00004 0.00014 0.00061 0.00007 0.00128 120 3PX 0.00004 -0.00038 0.00776 0.00087 0.00549 121 3PY -0.00002 0.00039 0.00085 -0.00007 0.00059 122 3PZ -0.00005 0.00064 0.00475 0.00059 0.00007 123 4XX 0.00000 0.00003 0.00009 0.00003 0.00004 124 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00003 0.00000 0.00001 127 4XZ 0.00000 0.00002 0.00009 0.00002 0.00001 128 4YZ 0.00000 0.00000 0.00001 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 -0.00001 0.00000 -0.00002 131 2PX 0.00000 -0.00001 -0.00001 0.00000 -0.00002 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 -0.00001 -0.00003 0.00000 -0.00004 134 3S 0.00000 -0.00015 -0.00017 0.00000 -0.00002 135 3PX 0.00002 -0.00016 -0.00018 -0.00001 0.00018 136 3PY 0.00000 0.00000 0.00001 0.00003 0.00002 137 3PZ 0.00002 -0.00035 -0.00008 0.00000 -0.00037 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00001 0.00000 0.00001 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 -0.00007 -0.00023 -0.00005 -0.00031 150 3PX 0.00000 0.00001 0.00009 -0.00002 0.00010 151 3PY 0.00000 0.00001 -0.00007 0.00001 -0.00016 152 3PZ 0.00000 -0.00004 -0.00029 0.00000 -0.00029 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 162 2PY 0.00000 0.00000 0.00000 -0.00001 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 -0.00008 0.00018 -0.00011 0.00003 165 3PX 0.00001 -0.00017 -0.00033 -0.00054 -0.00033 166 3PY 0.00000 -0.00005 0.00062 -0.00002 0.00023 167 3PZ 0.00000 -0.00007 0.00000 -0.00031 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00009 0.00001 -0.00001 178 18 H 1S 0.00000 0.00000 -0.00001 -0.00001 0.00000 179 2S 0.00001 -0.00009 -0.00061 -0.00045 -0.00017 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 181 2S 0.00001 -0.00017 -0.00012 -0.00003 -0.00126 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00002 -0.00001 0.00004 -0.00001 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00001 0.00001 0.00004 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00001 0.00005 0.00000 0.00007 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00001 0.00000 0.00000 51 52 53 54 55 51 3S 0.30240 52 3PX 0.00000 0.10751 53 3PY 0.00000 0.00000 0.05313 54 3PZ 0.00000 0.00000 0.00000 0.09326 55 4XX -0.00699 0.00000 0.00000 0.00000 0.00284 56 4YY -0.00001 0.00000 0.00000 0.00000 -0.00027 57 4ZZ -0.00197 0.00000 0.00000 0.00000 -0.00019 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 H 1S 0.00021 0.00010 -0.00008 0.00018 0.00000 62 2S 0.00239 -0.00042 -0.00054 0.00259 0.00009 63 6 H 1S 0.00006 0.00030 0.00000 0.00004 0.00000 64 2S -0.00031 0.00313 0.00032 -0.00042 -0.00009 65 7 O 1S 0.00128 0.00012 -0.00024 0.00040 -0.00006 66 2S -0.01942 -0.00292 0.00272 -0.00508 0.00138 67 2PX 0.00361 0.00059 0.00087 0.00354 -0.00096 68 2PY 0.00274 -0.00034 0.00416 0.00004 0.00096 69 2PZ 0.00548 0.00691 0.00110 -0.00136 0.00397 70 3S -0.06779 -0.00104 0.00117 -0.01271 0.00244 71 3PX 0.00144 -0.00163 0.00035 0.00188 -0.00195 72 3PY 0.00726 -0.00034 0.01064 0.00017 0.00147 73 3PZ 0.01220 0.00729 0.00218 -0.00724 0.00627 74 4XX 0.00209 -0.00128 0.00059 0.00141 -0.00007 75 4YY 0.00064 0.00000 -0.00021 0.00012 0.00010 76 4ZZ 0.00073 0.00114 0.00015 -0.00059 -0.00001 77 4XY 0.00019 0.00001 0.00021 0.00007 -0.00005 78 4XZ 0.00037 0.00001 0.00003 0.00008 0.00003 79 4YZ 0.00012 0.00021 0.00012 0.00001 0.00016 80 8 H 1S 0.05282 0.00177 0.01253 0.02524 -0.00145 81 2S 0.03771 -0.00039 0.01031 0.02355 -0.00256 82 9 H 1S -0.00418 0.00003 -0.00397 -0.00012 0.00000 83 2S -0.01561 -0.00006 -0.00811 0.00007 0.00023 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S -0.00005 -0.00017 -0.00002 0.00000 0.00000 86 2PX -0.00055 -0.00188 0.00051 -0.00014 0.00000 87 2PY -0.00007 -0.00021 0.00001 -0.00002 0.00000 88 2PZ -0.00003 -0.00012 0.00004 0.00020 0.00000 89 3S -0.00076 -0.00191 -0.00002 -0.00021 -0.00001 90 3PX -0.00413 -0.00956 0.00282 -0.00096 -0.00001 91 3PY -0.00081 -0.00165 0.00000 -0.00014 -0.00001 92 3PZ -0.00023 -0.00061 0.00017 0.00122 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 -0.00001 0.00001 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY -0.00001 0.00001 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00001 0.00004 0.00000 0.00000 0.00000 100 2S -0.00022 -0.00065 0.00000 -0.00006 0.00000 101 2PX -0.00141 -0.00046 -0.00001 -0.00019 0.00001 102 2PY 0.00000 0.00000 -0.00001 0.00000 0.00000 103 2PZ -0.00006 0.00001 0.00000 -0.00011 0.00000 104 3S -0.00022 0.00035 0.00000 0.00006 -0.00004 105 3PX -0.00786 -0.00258 -0.00002 -0.00044 0.00027 106 3PY 0.00001 0.00001 -0.00005 0.00000 0.00000 107 3PZ -0.00039 -0.00020 0.00000 0.00051 0.00003 108 4XX 0.00005 0.00034 0.00000 0.00003 0.00000 109 4YY -0.00002 -0.00007 0.00000 0.00000 0.00000 110 4ZZ 0.00000 -0.00009 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00016 0.00003 0.00000 0.00004 0.00000 115 2S -0.00065 -0.00040 -0.00033 0.00025 0.00003 116 2PX 0.00234 0.00812 0.00105 0.00632 0.00012 117 2PY 0.00090 0.00149 0.00026 0.00056 0.00002 118 2PZ -0.00066 0.00513 0.00060 0.00003 0.00006 119 3S 0.00126 0.00341 0.00015 0.00207 0.00056 120 3PX 0.00244 0.01261 0.00214 0.01154 0.00070 121 3PY 0.00172 0.00220 -0.00001 0.00088 0.00021 122 3PZ 0.00107 0.01182 0.00151 -0.00216 0.00048 123 4XX 0.00037 0.00046 0.00013 0.00026 -0.00001 124 4YY -0.00017 -0.00022 0.00000 -0.00007 0.00000 125 4ZZ -0.00001 0.00002 -0.00004 -0.00001 0.00000 126 4XY 0.00003 0.00005 0.00000 0.00005 0.00000 127 4XZ 0.00009 0.00022 0.00006 0.00001 0.00000 128 4YZ 0.00000 0.00004 0.00000 0.00000 0.00000 129 13 C 1S 0.00001 0.00002 0.00000 0.00004 0.00000 130 2S -0.00003 -0.00065 -0.00002 -0.00040 0.00000 131 2PX -0.00003 -0.00038 -0.00001 -0.00034 0.00000 132 2PY -0.00001 0.00000 -0.00002 0.00000 0.00000 133 2PZ 0.00044 -0.00139 -0.00005 -0.00007 0.00000 134 3S 0.00071 -0.00064 -0.00007 0.00099 0.00004 135 3PX -0.00008 -0.00045 -0.00004 -0.00007 0.00004 136 3PY 0.00000 0.00004 -0.00002 0.00005 0.00000 137 3PZ 0.00096 -0.00201 -0.00009 0.00026 -0.00011 138 4XX 0.00000 -0.00002 0.00000 -0.00006 0.00000 139 4YY -0.00002 -0.00004 0.00000 -0.00006 0.00000 140 4ZZ 0.00004 0.00017 0.00000 0.00016 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00002 0.00009 0.00000 0.00014 0.00000 143 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 144 14 C 1S 0.00000 0.00001 0.00000 0.00001 0.00000 145 2S -0.00017 -0.00011 -0.00002 -0.00033 0.00000 146 2PX 0.00000 0.00007 -0.00009 0.00003 0.00000 147 2PY -0.00002 -0.00012 0.00002 -0.00001 0.00000 148 2PZ -0.00038 -0.00016 -0.00014 -0.00046 0.00000 149 3S -0.00190 -0.00154 -0.00028 -0.00263 -0.00001 150 3PX 0.00017 0.00026 -0.00044 0.00062 0.00000 151 3PY -0.00011 -0.00060 0.00001 -0.00038 0.00000 152 3PZ -0.00170 -0.00095 -0.00014 -0.00168 0.00000 153 4XX 0.00001 0.00001 0.00000 0.00002 0.00000 154 4YY 0.00000 -0.00001 0.00001 -0.00001 0.00000 155 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00001 0.00000 0.00000 0.00001 0.00000 158 4YZ 0.00001 0.00000 0.00000 0.00001 0.00000 159 15 C 1S 0.00000 0.00001 -0.00001 0.00000 0.00000 160 2S -0.00020 -0.00046 0.00003 -0.00022 0.00000 161 2PX -0.00015 -0.00029 -0.00009 -0.00033 0.00000 162 2PY -0.00051 -0.00024 -0.00035 -0.00015 0.00000 163 2PZ 0.00013 -0.00025 0.00017 0.00000 0.00000 164 3S -0.00008 0.00010 -0.00080 0.00043 0.00001 165 3PX -0.00065 -0.00161 0.00022 -0.00177 -0.00002 166 3PY -0.00001 0.00159 -0.00060 0.00093 0.00002 167 3PZ 0.00038 -0.00078 -0.00008 -0.00006 -0.00001 168 4XX 0.00004 0.00010 -0.00008 0.00007 0.00000 169 4YY 0.00002 -0.00002 0.00003 -0.00001 0.00000 170 4ZZ -0.00002 -0.00004 0.00001 -0.00002 0.00000 171 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 172 4XZ 0.00001 0.00001 -0.00001 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S -0.00007 -0.00003 -0.00001 0.00004 0.00000 176 17 H 1S 0.00001 0.00001 0.00000 -0.00002 0.00000 177 2S 0.00027 0.00048 0.00001 -0.00021 0.00000 178 18 H 1S -0.00055 -0.00060 0.00020 -0.00018 0.00000 179 2S -0.00323 -0.00284 0.00072 -0.00110 -0.00002 180 19 H 1S -0.00007 -0.00022 -0.00006 -0.00067 0.00000 181 2S -0.00144 -0.00105 -0.00020 -0.00525 -0.00007 182 20 H 1S 0.00000 0.00002 -0.00004 0.00001 0.00000 183 2S 0.00028 0.00011 0.00013 0.00001 0.00000 184 21 H 1S 0.00001 -0.00001 0.00003 0.00000 0.00000 185 2S 0.00040 0.00008 0.00045 0.00007 0.00000 186 22 H 1S 0.00000 0.00004 0.00000 0.00002 0.00000 187 2S 0.00004 0.00100 0.00008 0.00076 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00012 0.00003 0.00003 0.00015 0.00000 56 57 58 59 60 56 4YY 0.00124 57 4ZZ -0.00008 0.00166 58 4XY 0.00000 0.00000 0.00146 59 4XZ 0.00000 0.00000 0.00000 0.00147 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00192 61 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00016 -0.00001 -0.00003 0.00001 63 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 64 2S 0.00001 0.00003 0.00000 0.00001 -0.00001 65 7 O 1S 0.00001 0.00000 -0.00005 -0.00008 -0.00003 66 2S -0.00019 0.00007 0.00089 0.00157 0.00056 67 2PX -0.00048 0.00157 0.00038 0.00289 0.00116 68 2PY 0.00017 0.00023 0.00025 0.00116 0.00016 69 2PZ -0.00031 -0.00055 0.00125 0.00026 -0.00003 70 3S -0.00007 -0.00012 0.00096 0.00101 0.00085 71 3PX -0.00143 0.00390 0.00001 0.00088 0.00070 72 3PY -0.00054 0.00045 0.00071 0.00076 0.00045 73 3PZ -0.00099 -0.00197 0.00073 -0.00001 0.00002 74 4XX -0.00001 0.00008 0.00004 0.00005 -0.00001 75 4YY -0.00004 0.00002 0.00002 0.00009 0.00001 76 4ZZ 0.00001 -0.00001 0.00000 -0.00002 -0.00001 77 4XY 0.00001 0.00004 0.00000 0.00013 -0.00003 78 4XZ -0.00003 -0.00001 0.00003 0.00005 0.00000 79 4YZ 0.00000 -0.00003 -0.00002 0.00001 0.00000 80 8 H 1S -0.00033 0.00234 0.00041 0.00023 0.00377 81 2S -0.00044 0.00314 0.00010 0.00003 0.00064 82 9 H 1S 0.00001 0.00000 0.00000 0.00000 0.00004 83 2S -0.00027 0.00027 0.00001 0.00001 0.00022 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00001 0.00000 0.00000 0.00000 90 3PX -0.00001 0.00003 -0.00001 -0.00001 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00001 0.00001 0.00000 0.00000 0.00000 105 3PX -0.00003 -0.00001 0.00000 0.00002 0.00000 106 3PY 0.00000 0.00000 -0.00002 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00001 0.00002 0.00001 116 2PX -0.00001 -0.00003 0.00002 0.00007 0.00001 117 2PY 0.00000 0.00000 0.00000 0.00001 0.00000 118 2PZ 0.00000 -0.00001 0.00001 0.00001 0.00000 119 3S -0.00011 -0.00023 -0.00001 0.00006 0.00000 120 3PX -0.00015 -0.00026 0.00006 0.00018 0.00007 121 3PY -0.00003 -0.00012 0.00004 0.00002 0.00001 122 3PZ -0.00009 -0.00012 0.00003 0.00001 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S -0.00002 0.00001 0.00000 0.00002 0.00000 135 3PX -0.00001 -0.00003 0.00000 0.00000 0.00000 136 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 137 3PZ 0.00000 0.00015 0.00000 0.00002 0.00000 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00002 0.00000 -0.00001 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ -0.00001 0.00002 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00001 -0.00001 0.00001 0.00000 0.00001 165 3PX 0.00000 0.00001 0.00007 -0.00002 0.00005 166 3PY 0.00001 -0.00002 0.00002 0.00001 0.00001 167 3PZ 0.00000 0.00000 0.00004 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00005 -0.00001 0.00000 0.00000 0.00001 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00002 0.00011 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 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 H 1S 0.22401 62 2S 0.12138 0.19878 63 6 H 1S -0.00073 -0.01284 0.22350 64 2S -0.01185 -0.04733 0.11454 0.16572 65 7 O 1S 0.00000 0.00005 0.00000 0.00006 2.07557 66 2S -0.00004 -0.00073 -0.00005 -0.00107 -0.04159 67 2PX 0.00002 0.00089 -0.00023 -0.00553 0.00000 68 2PY -0.00003 -0.00090 -0.00003 -0.00102 0.00000 69 2PZ -0.00026 -0.00755 0.00003 0.00091 0.00000 70 3S -0.00186 -0.00585 -0.00165 -0.00220 -0.04102 71 3PX 0.00062 0.00419 -0.00522 -0.02178 0.00000 72 3PY -0.00064 -0.00312 -0.00040 -0.00266 0.00000 73 3PZ -0.00614 -0.03002 0.00076 0.00434 0.00000 74 4XX -0.00001 -0.00022 0.00010 0.00072 -0.00051 75 4YY 0.00000 -0.00014 0.00000 -0.00028 -0.00042 76 4ZZ 0.00009 0.00078 -0.00001 -0.00023 -0.00047 77 4XY 0.00000 0.00002 0.00003 -0.00009 0.00000 78 4XZ 0.00001 0.00003 0.00001 0.00002 0.00000 79 4YZ 0.00003 -0.00016 0.00000 0.00001 0.00000 80 8 H 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 81 2S -0.00001 -0.00038 0.00000 0.00008 0.00016 82 9 H 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 83 2S -0.00001 -0.00038 0.00000 0.00008 0.00000 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 90 3PX 0.00000 -0.00005 0.00000 0.00001 0.00000 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 -0.00001 0.00000 0.00000 0.00000 105 3PX 0.00000 -0.00005 0.00000 0.00001 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00001 0.00000 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 0.00003 0.00000 0.00000 0.00000 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 119 3S 0.00001 0.00037 0.00000 -0.00003 0.00000 120 3PX 0.00001 0.00025 0.00000 -0.00003 -0.00001 121 3PY 0.00001 0.00025 0.00000 -0.00002 0.00000 122 3PZ 0.00000 -0.00019 0.00000 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 -0.00002 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00018 0.00000 0.00000 0.00000 132 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S -0.00008 -0.00056 0.00000 0.00002 0.00000 135 3PX -0.00006 0.00109 0.00000 0.00001 0.00000 136 3PY 0.00000 -0.00010 0.00000 0.00001 0.00000 137 3PZ 0.00000 0.00006 0.00000 0.00002 0.00000 138 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 -0.00002 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00018 0.00000 0.00000 0.00000 147 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S -0.00008 -0.00056 0.00000 0.00002 0.00000 150 3PX -0.00006 0.00109 0.00000 0.00001 0.00000 151 3PY 0.00000 -0.00010 0.00000 0.00001 0.00000 152 3PZ 0.00000 0.00006 0.00000 0.00002 0.00000 153 4XX 0.00000 0.00001 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00003 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 164 3S 0.00001 0.00037 0.00000 -0.00003 0.00000 165 3PX 0.00001 0.00025 0.00000 -0.00003 0.00000 166 3PY 0.00001 0.00025 0.00000 -0.00002 0.00000 167 3PZ 0.00000 -0.00019 0.00000 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00001 0.00000 0.00000 0.00000 180 19 H 1S 0.00000 0.00030 0.00000 0.00001 0.00000 181 2S -0.00038 -0.00172 0.00001 0.00025 -0.00001 182 20 H 1S 0.00000 0.00030 0.00000 0.00001 0.00000 183 2S -0.00038 -0.00172 0.00001 0.00025 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00001 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00008 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 66 67 68 69 70 66 2S 0.50359 67 2PX 0.00000 0.64791 68 2PY 0.00000 0.00000 0.66560 69 2PZ 0.00000 0.00000 0.00000 0.71652 70 3S 0.45246 0.00000 0.00000 0.00000 0.75618 71 3PX 0.00000 0.20361 0.00000 0.00000 0.00000 72 3PY 0.00000 0.00000 0.21181 0.00000 0.00000 73 3PZ 0.00000 0.00000 0.00000 0.23212 0.00000 74 4XX -0.00156 0.00000 0.00000 0.00000 -0.00294 75 4YY -0.00456 0.00000 0.00000 0.00000 -0.01283 76 4ZZ -0.00299 0.00000 0.00000 0.00000 -0.00451 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 H 1S -0.00006 -0.00004 -0.00001 -0.00014 -0.00308 81 2S -0.00225 -0.00058 -0.00012 -0.00325 -0.01369 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 83 2S 0.00003 0.00010 0.00014 -0.00001 0.00029 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00000 0.00000 0.00000 0.00002 90 3PX 0.00000 0.00001 0.00000 0.00000 0.00006 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 92 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 0.00000 105 3PX 0.00000 0.00001 0.00000 0.00000 0.00024 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 107 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2PX 0.00000 -0.00001 0.00000 0.00000 -0.00009 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 119 3S 0.00004 -0.00039 -0.00002 -0.00005 0.00004 120 3PX 0.00008 -0.00078 0.00002 -0.00006 0.00079 121 3PY 0.00001 -0.00007 0.00001 -0.00001 0.00005 122 3PZ -0.00002 -0.00008 0.00000 0.00011 -0.00007 123 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 131 2PX 0.00000 0.00000 0.00000 0.00000 -0.00010 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00004 134 3S -0.00009 -0.00006 0.00002 -0.00006 -0.00078 135 3PX -0.00007 -0.00019 0.00004 -0.00031 -0.00100 136 3PY -0.00001 -0.00004 -0.00002 -0.00004 -0.00007 137 3PZ 0.00001 0.00028 -0.00002 0.00019 -0.00014 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00002 0.00000 0.00001 0.00006 150 3PX 0.00000 -0.00001 -0.00002 0.00002 -0.00005 151 3PY 0.00000 -0.00002 0.00000 -0.00001 -0.00001 152 3PZ 0.00000 0.00000 0.00001 0.00000 0.00012 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 -0.00007 165 3PX 0.00000 0.00001 0.00001 0.00000 -0.00005 166 3PY -0.00001 -0.00001 0.00000 0.00000 -0.00008 167 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00002 0.00000 0.00002 0.00000 0.00026 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00014 181 2S 0.00014 0.00058 0.00001 0.00128 0.00092 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00001 -0.00001 0.00001 -0.00001 0.00016 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 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 0.00004 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 71 72 73 74 75 71 3PX 0.26578 72 3PY 0.00000 0.26979 73 3PZ 0.00000 0.00000 0.30851 74 4XX 0.00000 0.00000 0.00000 0.00104 75 4YY 0.00000 0.00000 0.00000 -0.00011 0.00294 76 4ZZ 0.00000 0.00000 0.00000 0.00001 -0.00008 77 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 8 H 1S -0.00017 -0.00010 -0.00288 0.00003 0.00000 81 2S 0.00034 -0.00030 -0.01157 0.00011 0.00015 82 9 H 1S 0.00002 0.00003 0.00000 0.00000 0.00000 83 2S 0.00085 0.00122 -0.00018 0.00000 0.00002 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00004 0.00001 0.00000 0.00000 0.00000 90 3PX 0.00032 0.00002 -0.00004 0.00000 0.00000 91 3PY 0.00005 0.00000 0.00000 0.00000 0.00000 92 3PZ -0.00003 0.00001 -0.00001 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00008 -0.00002 -0.00003 0.00000 0.00000 105 3PX 0.00030 -0.00003 -0.00005 -0.00001 0.00000 106 3PY 0.00004 0.00001 0.00000 0.00000 0.00000 107 3PZ 0.00002 0.00000 0.00003 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S -0.00011 0.00000 -0.00001 0.00000 0.00000 116 2PX -0.00099 -0.00001 -0.00009 0.00000 0.00000 117 2PY -0.00002 0.00000 0.00000 0.00000 0.00000 118 2PZ -0.00003 0.00000 0.00005 0.00000 0.00000 119 3S -0.00341 -0.00013 -0.00044 -0.00002 0.00002 120 3PX -0.00509 0.00011 -0.00047 0.00010 -0.00003 121 3PY -0.00042 0.00010 -0.00005 0.00000 0.00000 122 3PZ -0.00053 -0.00002 0.00119 0.00001 0.00000 123 4XX 0.00003 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S -0.00005 0.00000 -0.00002 0.00000 0.00000 131 2PX -0.00014 0.00000 -0.00010 0.00000 0.00000 132 2PY -0.00001 0.00000 -0.00001 0.00000 0.00000 133 2PZ -0.00005 -0.00001 0.00002 0.00000 0.00000 134 3S -0.00049 0.00015 -0.00046 -0.00001 0.00001 135 3PX -0.00116 0.00019 -0.00169 -0.00001 0.00002 136 3PY -0.00027 -0.00015 -0.00024 -0.00001 0.00000 137 3PZ 0.00167 -0.00013 0.00090 0.00002 -0.00001 138 4XX 0.00001 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ -0.00001 0.00000 -0.00001 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00001 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00001 0.00000 0.00000 0.00000 0.00000 149 3S 0.00035 -0.00004 0.00015 0.00000 0.00000 150 3PX -0.00009 -0.00024 0.00012 0.00000 0.00000 151 3PY -0.00017 -0.00002 -0.00007 0.00000 0.00000 152 3PZ 0.00008 0.00010 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S -0.00007 -0.00007 -0.00001 0.00000 0.00000 165 3PX 0.00013 0.00009 0.00000 0.00000 0.00000 166 3PY -0.00022 -0.00003 -0.00002 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.00002 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S -0.00001 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00011 0.00012 0.00001 -0.00001 0.00000 180 19 H 1S 0.00000 0.00000 -0.00002 0.00000 0.00000 181 2S 0.00353 0.00007 0.00671 0.00000 -0.00008 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S -0.00013 0.00017 -0.00008 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S -0.00001 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 -0.00002 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00001 0.00000 -0.00001 0.00000 0.00000 76 77 78 79 80 76 4ZZ 0.00079 77 4XY 0.00000 0.00161 78 4XZ 0.00000 0.00000 0.00045 79 4YZ 0.00000 0.00000 0.00000 0.00151 80 8 H 1S 0.00008 0.00001 0.00006 0.00001 0.21549 81 2S 0.00047 0.00002 0.00007 0.00004 0.10062 82 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 83 2S -0.00001 0.00000 0.00000 -0.00001 -0.00015 84 10 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 85 2S 0.00000 0.00000 0.00000 0.00000 0.00000 86 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 88 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 89 3S 0.00000 0.00000 0.00000 0.00000 0.00002 90 3PX 0.00000 0.00000 0.00000 0.00000 0.00006 91 3PY 0.00000 0.00000 0.00000 0.00000 0.00002 92 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 95 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 0.00000 -0.00008 105 3PX 0.00000 0.00000 0.00000 0.00000 -0.00081 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00003 107 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00026 108 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 109 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 110 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 116 2PX 0.00000 0.00000 0.00000 0.00000 -0.00005 117 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 118 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00004 119 3S 0.00000 0.00000 0.00000 0.00000 -0.00059 120 3PX -0.00005 0.00001 0.00000 0.00000 -0.00157 121 3PY 0.00000 -0.00001 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00084 123 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 134 3S 0.00000 0.00000 0.00001 0.00000 -0.00001 135 3PX 0.00001 0.00000 0.00002 -0.00001 -0.00002 136 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.00001 0.00000 0.00002 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 0.00000 0.00000 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 3S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00004 166 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 167 3PZ 0.00000 0.00000 0.00000 0.00000 0.00002 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 -0.00011 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00005 0.00000 0.00004 0.00000 0.00003 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 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 81 82 83 84 85 81 2S 0.12396 82 9 H 1S -0.00015 0.21549 83 2S 0.00011 0.10062 0.12396 84 10 C 1S 0.00000 0.00000 0.00000 2.05271 85 2S 0.00000 0.00000 -0.00003 -0.01361 0.32496 86 2PX 0.00011 -0.00001 -0.00048 0.00000 0.00000 87 2PY 0.00000 0.00000 0.00002 0.00000 0.00000 88 2PZ 0.00003 0.00000 -0.00005 0.00000 0.00000 89 3S 0.00017 -0.00008 -0.00017 -0.02960 0.20116 90 3PX 0.00120 -0.00081 -0.00194 0.00000 0.00000 91 3PY 0.00023 0.00003 0.00021 0.00000 0.00000 92 3PZ 0.00028 -0.00026 -0.00063 0.00000 0.00000 93 4XX 0.00000 0.00000 -0.00004 -0.00113 -0.00672 94 4YY 0.00000 0.00000 0.00000 -0.00134 -0.00219 95 4ZZ 0.00000 0.00000 0.00002 -0.00127 -0.00380 96 4XY 0.00000 0.00000 -0.00001 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00047 100 2S -0.00003 0.00000 0.00000 -0.00047 0.00970 101 2PX -0.00048 0.00000 0.00011 0.00000 0.00000 102 2PY 0.00002 0.00000 0.00000 -0.00258 0.04008 103 2PZ -0.00005 0.00000 0.00003 0.00000 0.00000 104 3S -0.00017 0.00002 0.00017 -0.00027 0.01148 105 3PX -0.00194 0.00006 0.00120 0.00000 0.00000 106 3PY 0.00021 0.00002 0.00023 -0.00172 0.02369 107 3PZ -0.00063 0.00000 0.00028 0.00000 0.00000 108 4XX -0.00004 0.00000 0.00000 0.00000 -0.00042 109 4YY 0.00000 0.00000 0.00000 -0.00026 0.00362 110 4ZZ 0.00002 0.00000 0.00000 0.00000 -0.00047 111 4XY -0.00001 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S 0.00003 0.00000 0.00000 0.00000 0.00000 115 2S -0.00065 0.00000 0.00002 0.00000 -0.00009 116 2PX -0.00108 0.00000 0.00003 0.00000 -0.00011 117 2PY 0.00000 0.00000 0.00003 0.00000 -0.00024 118 2PZ -0.00122 0.00000 0.00003 0.00000 -0.00005 119 3S -0.00383 0.00000 0.00009 0.00004 -0.00122 120 3PX -0.00490 0.00004 0.00051 0.00004 -0.00090 121 3PY -0.00003 -0.00001 -0.00013 0.00006 -0.00155 122 3PZ -0.00395 0.00002 0.00041 0.00003 -0.00048 123 4XX 0.00006 0.00000 0.00000 0.00000 0.00000 124 4YY -0.00002 0.00000 0.00000 0.00000 0.00003 125 4ZZ 0.00003 0.00000 0.00000 0.00000 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 127 4XZ 0.00002 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00002 0.00000 0.00000 0.00000 0.00000 131 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00004 0.00000 0.00000 0.00000 -0.00001 134 3S -0.00002 0.00000 0.00014 0.00002 -0.00039 135 3PX -0.00010 0.00000 -0.00002 0.00000 -0.00005 136 3PY 0.00003 0.00000 0.00008 0.00001 -0.00022 137 3PZ 0.00049 0.00000 0.00006 0.00002 -0.00032 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00002 0.00000 -0.00004 146 2PX 0.00000 0.00000 0.00001 0.00000 -0.00007 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00004 0.00000 -0.00017 149 3S 0.00014 -0.00001 -0.00002 0.00004 -0.00076 150 3PX -0.00002 -0.00002 -0.00010 0.00004 -0.00064 151 3PY 0.00008 0.00000 0.00003 0.00000 0.00004 152 3PZ 0.00006 0.00002 0.00049 0.00012 -0.00216 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00003 0.00000 -0.00058 160 2S 0.00002 -0.00002 -0.00065 -0.00054 0.01134 161 2PX 0.00003 -0.00005 -0.00108 -0.00132 0.02021 162 2PY 0.00003 0.00000 0.00000 -0.00067 0.00937 163 2PZ 0.00003 -0.00004 -0.00122 -0.00092 0.01358 164 3S 0.00009 -0.00059 -0.00382 -0.00055 0.01143 165 3PX 0.00051 -0.00157 -0.00490 -0.00102 0.01276 166 3PY -0.00013 0.00000 -0.00003 -0.00059 0.00676 167 3PZ 0.00041 -0.00084 -0.00395 -0.00032 0.00386 168 4XX 0.00000 0.00000 0.00006 -0.00004 0.00057 169 4YY 0.00000 0.00000 -0.00002 0.00002 -0.00045 170 4ZZ 0.00000 0.00000 0.00003 0.00000 -0.00019 171 4XY 0.00000 0.00000 0.00000 -0.00008 0.00083 172 4XZ 0.00000 0.00000 0.00002 -0.00011 0.00116 173 4YZ 0.00000 0.00000 0.00000 -0.00006 0.00065 174 16 H 1S 0.00000 0.00000 0.00003 -0.00198 0.03084 175 2S 0.00002 0.00000 0.00027 -0.00120 0.01190 176 17 H 1S 0.00003 0.00000 0.00000 0.00000 -0.00017 177 2S 0.00027 0.00000 0.00002 0.00019 -0.00265 178 18 H 1S -0.00011 0.00000 0.00000 0.00000 0.00000 179 2S -0.00016 0.00000 -0.00003 0.00000 0.00013 180 19 H 1S 0.00001 0.00000 0.00000 0.00000 0.00000 181 2S 0.00048 0.00000 -0.00005 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00001 0.00000 0.00000 183 2S -0.00005 0.00003 0.00048 0.00000 0.00015 184 21 H 1S 0.00000 0.00000 -0.00011 0.00000 -0.00019 185 2S -0.00003 -0.00011 -0.00016 0.00019 -0.00267 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00006 0.00000 0.00000 0.00000 0.00001 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 -0.00006 0.00000 -0.00006 86 87 88 89 90 86 2PX 0.36897 87 2PY 0.00000 0.41335 88 2PZ 0.00000 0.00000 0.39022 89 3S 0.00000 0.00000 0.00000 0.25008 90 3PX 0.10335 0.00000 0.00000 0.00000 0.11998 91 3PY 0.00000 0.07886 0.00000 0.00000 0.00000 92 3PZ 0.00000 0.00000 0.09568 0.00000 0.00000 93 4XX 0.00000 0.00000 0.00000 -0.00354 0.00000 94 4YY 0.00000 0.00000 0.00000 -0.00196 0.00000 95 4ZZ 0.00000 0.00000 0.00000 -0.00155 0.00000 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S 0.00000 -0.00258 0.00000 -0.00027 0.00000 100 2S 0.00000 0.04008 0.00000 0.01148 0.00000 101 2PX 0.01116 0.00000 0.00000 0.00000 0.01910 102 2PY 0.00000 0.09681 0.00000 0.03098 0.00000 103 2PZ 0.00000 0.00000 0.00839 0.00000 0.00000 104 3S 0.00000 0.03098 0.00000 -0.00963 0.00000 105 3PX 0.01910 0.00000 0.00000 0.00000 0.02602 106 3PY 0.00000 0.01764 0.00000 0.00844 0.00000 107 3PZ 0.00000 0.00000 0.01655 0.00000 0.00000 108 4XX 0.00000 -0.00106 0.00000 -0.00148 0.00000 109 4YY 0.00000 0.00223 0.00000 0.00401 0.00000 110 4ZZ 0.00000 -0.00112 0.00000 -0.00135 0.00000 111 4XY 0.00201 0.00000 0.00000 0.00000 0.00097 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00210 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 -0.00002 -0.00006 115 2S -0.00001 -0.00030 -0.00005 -0.00118 0.00040 116 2PX 0.00001 -0.00025 -0.00008 0.00136 -0.00041 117 2PY -0.00002 -0.00053 -0.00005 -0.00557 -0.00006 118 2PZ -0.00006 -0.00010 0.00000 0.00025 -0.00025 119 3S -0.00102 -0.00147 -0.00108 -0.00157 -0.00090 120 3PX -0.00004 -0.00124 -0.00095 0.00466 -0.00292 121 3PY -0.00010 0.00064 -0.00066 -0.00670 0.00027 122 3PZ -0.00104 -0.00151 -0.00021 -0.00143 -0.00242 123 4XX -0.00001 -0.00001 0.00001 -0.00002 -0.00013 124 4YY 0.00001 0.00014 0.00000 0.00046 0.00005 125 4ZZ 0.00001 -0.00001 0.00000 -0.00017 0.00010 126 4XY 0.00000 0.00006 0.00001 0.00008 0.00000 127 4XZ 0.00000 -0.00001 0.00000 -0.00002 -0.00001 128 4YZ 0.00001 0.00004 0.00000 0.00005 0.00005 129 13 C 1S 0.00000 0.00000 0.00000 0.00001 0.00000 130 2S 0.00000 0.00000 -0.00001 -0.00036 0.00006 131 2PX 0.00000 0.00000 -0.00001 -0.00014 0.00004 132 2PY -0.00002 0.00001 0.00000 -0.00023 -0.00038 133 2PZ 0.00001 -0.00002 -0.00002 -0.00137 -0.00006 134 3S -0.00025 -0.00036 -0.00016 -0.00468 -0.00148 135 3PX 0.00000 -0.00003 -0.00005 -0.00064 0.00000 136 3PY -0.00053 0.00010 0.00006 -0.00149 -0.00158 137 3PZ 0.00017 -0.00075 -0.00016 -0.00522 -0.00028 138 4XX 0.00000 0.00000 0.00000 0.00004 0.00001 139 4YY 0.00000 0.00000 0.00000 0.00001 0.00001 140 4ZZ 0.00000 0.00000 0.00000 -0.00005 -0.00002 141 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 143 4YZ 0.00000 0.00000 0.00000 0.00001 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00002 0.00001 145 2S -0.00005 0.00000 -0.00015 -0.00042 0.00002 146 2PX 0.00000 0.00000 -0.00022 -0.00082 0.00015 147 2PY 0.00000 0.00000 0.00000 -0.00002 -0.00002 148 2PZ -0.00033 0.00000 -0.00022 -0.00011 -0.00079 149 3S 0.00005 0.00002 -0.00378 0.00248 0.00384 150 3PX 0.00002 -0.00002 -0.00115 -0.00096 0.00004 151 3PY 0.00002 0.00013 0.00009 0.00009 -0.00003 152 3PZ -0.00313 0.00004 -0.00217 0.00150 -0.00198 153 4XX 0.00000 0.00000 0.00002 0.00006 -0.00008 154 4YY 0.00000 0.00000 0.00000 -0.00007 -0.00007 155 4ZZ 0.00004 0.00000 -0.00001 0.00005 0.00033 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ -0.00001 0.00000 0.00008 0.00006 -0.00006 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S -0.00143 -0.00062 -0.00090 0.00070 -0.00061 160 2S 0.02093 0.00936 0.01262 0.00574 0.01223 161 2PX -0.00057 0.01792 0.03914 0.00749 0.00367 162 2PY 0.01826 -0.00036 0.00746 0.01238 0.00805 163 2PZ 0.03416 0.00933 0.00059 0.00721 0.01436 164 3S 0.02145 0.00591 0.01306 -0.01474 0.01146 165 3PX 0.00242 0.00817 0.02060 -0.00313 0.01823 166 3PY 0.00702 -0.00073 0.00274 0.00541 0.00359 167 3PZ 0.01528 0.00376 0.00259 0.00232 0.01266 168 4XX -0.00099 0.00080 0.00133 0.00123 -0.00161 169 4YY -0.00024 -0.00025 -0.00019 -0.00158 -0.00022 170 4ZZ 0.00034 0.00013 -0.00071 0.00062 0.00152 171 4XY 0.00030 -0.00003 0.00116 0.00021 0.00001 172 4XZ 0.00034 0.00095 0.00003 0.00039 -0.00002 173 4YZ 0.00116 -0.00001 0.00009 0.00020 0.00018 174 16 H 1S 0.02437 0.02405 0.04947 0.04347 0.00828 175 2S 0.01602 0.01555 0.03424 0.03825 0.00517 176 17 H 1S -0.00007 -0.00057 -0.00007 -0.00417 0.00012 177 2S -0.00091 -0.00840 -0.00152 -0.01699 0.00059 178 18 H 1S 0.00000 0.00000 0.00000 0.00015 0.00000 179 2S 0.00003 0.00051 0.00001 0.00219 0.00018 180 19 H 1S 0.00000 0.00000 0.00000 0.00001 0.00001 181 2S 0.00001 0.00001 -0.00001 0.00036 0.00036 182 20 H 1S 0.00000 0.00000 0.00000 0.00005 -0.00005 183 2S -0.00001 0.00002 0.00041 0.00079 -0.00100 184 21 H 1S -0.00019 -0.00047 -0.00007 -0.00450 -0.00158 185 2S -0.00255 -0.00651 -0.00039 -0.01535 -0.00581 186 22 H 1S 0.00000 0.00000 0.00000 0.00004 0.00000 187 2S -0.00002 -0.00001 0.00010 0.00052 -0.00015 188 23 H 1S 0.00000 0.00000 -0.00001 -0.00011 0.00013 189 2S 0.00013 0.00000 -0.00054 -0.00081 0.00059 91 92 93 94 95 91 3PY 0.06236 92 3PZ 0.00000 0.09329 93 4XX 0.00000 0.00000 0.00092 94 4YY 0.00000 0.00000 -0.00008 0.00114 95 4ZZ 0.00000 0.00000 0.00007 -0.00006 0.00089 96 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 97 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 98 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 C 1S -0.00172 0.00000 0.00000 -0.00026 0.00000 100 2S 0.02369 0.00000 -0.00042 0.00362 -0.00047 101 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 2PY 0.01764 0.00000 -0.00106 0.00223 -0.00112 103 2PZ 0.00000 0.01655 0.00000 0.00000 0.00000 104 3S 0.00844 0.00000 -0.00148 0.00401 -0.00135 105 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00146 0.00000 -0.00163 0.00113 -0.00110 107 3PZ 0.00000 0.02466 0.00000 0.00000 0.00000 108 4XX -0.00163 0.00000 0.00001 -0.00004 0.00001 109 4YY 0.00113 0.00000 -0.00004 -0.00008 -0.00004 110 4ZZ -0.00110 0.00000 0.00001 -0.00004 0.00002 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00084 0.00000 0.00000 0.00000 114 12 C 1S 0.00010 -0.00004 0.00000 0.00000 0.00000 115 2S -0.00274 -0.00007 0.00000 0.00002 0.00000 116 2PX 0.00143 0.00025 0.00000 0.00001 0.00000 117 2PY -0.00579 0.00006 0.00000 0.00006 0.00000 118 2PZ -0.00045 -0.00044 0.00000 0.00002 0.00000 119 3S -0.00347 -0.00043 0.00000 0.00009 0.00005 120 3PX 0.00394 -0.00051 0.00010 -0.00006 -0.00002 121 3PY -0.00164 -0.00011 0.00004 0.00012 0.00000 122 3PZ -0.00328 -0.00241 -0.00007 0.00006 0.00005 123 4XX -0.00004 0.00017 0.00000 0.00000 0.00000 124 4YY 0.00070 -0.00004 0.00000 0.00000 0.00000 125 4ZZ -0.00027 -0.00007 0.00000 0.00000 0.00000 126 4XY 0.00010 0.00004 0.00000 0.00000 0.00000 127 4XZ -0.00001 0.00001 0.00000 0.00000 0.00000 128 4YZ 0.00006 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00001 0.00001 0.00000 0.00000 0.00000 130 2S -0.00018 -0.00042 0.00000 0.00000 0.00000 131 2PX -0.00033 -0.00003 0.00000 0.00000 0.00000 132 2PY 0.00008 0.00010 0.00000 0.00000 0.00000 133 2PZ -0.00076 -0.00117 0.00000 0.00000 0.00000 134 3S -0.00260 -0.00055 -0.00002 0.00003 0.00003 135 3PX -0.00082 0.00000 -0.00001 0.00000 0.00001 136 3PY 0.00001 0.00079 -0.00003 0.00004 -0.00002 137 3PZ -0.00249 -0.00211 0.00001 -0.00002 0.00003 138 4XX 0.00003 0.00004 0.00000 0.00000 0.00000 139 4YY 0.00003 -0.00005 0.00000 0.00000 0.00000 140 4ZZ -0.00009 0.00001 0.00000 0.00000 0.00000 141 4XY 0.00001 -0.00001 0.00000 0.00000 0.00000 142 4XZ 0.00001 -0.00002 0.00000 0.00000 0.00000 143 4YZ 0.00001 0.00003 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00012 0.00000 0.00000 0.00000 145 2S -0.00003 -0.00177 0.00000 0.00000 0.00001 146 2PX -0.00008 -0.00219 0.00000 0.00000 0.00002 147 2PY 0.00019 0.00001 0.00000 0.00000 0.00000 148 2PZ -0.00014 0.00070 0.00001 0.00000 0.00006 149 3S -0.00019 -0.00950 0.00010 -0.00012 0.00019 150 3PX -0.00014 -0.00300 0.00000 -0.00003 0.00015 151 3PY 0.00105 0.00013 0.00000 0.00000 -0.00001 152 3PZ -0.00016 0.00127 0.00004 -0.00015 0.00050 153 4XX 0.00001 0.00026 0.00000 0.00000 0.00000 154 4YY 0.00000 -0.00002 0.00000 0.00000 0.00000 155 4ZZ -0.00001 -0.00022 0.00000 0.00000 0.00000 156 4XY -0.00002 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00001 0.00029 0.00000 0.00000 0.00000 158 4YZ -0.00005 0.00000 0.00000 0.00000 0.00000 159 15 C 1S -0.00036 0.00035 -0.00003 0.00001 0.00000 160 2S 0.00249 0.00196 0.00050 -0.00046 0.00001 161 2PX 0.01210 0.01594 -0.00076 -0.00034 0.00041 162 2PY 0.00131 0.00065 0.00066 -0.00027 0.00025 163 2PZ 0.00369 0.00349 0.00099 -0.00033 -0.00055 164 3S 0.00031 0.00070 0.00113 -0.00076 -0.00044 165 3PX 0.01058 0.01516 -0.00122 0.00008 0.00087 166 3PY 0.00090 -0.00047 0.00038 -0.00056 -0.00013 167 3PZ -0.00004 0.01140 0.00142 -0.00054 -0.00080 168 4XX 0.00080 0.00174 -0.00002 -0.00003 0.00002 169 4YY -0.00043 -0.00022 -0.00004 0.00004 -0.00006 170 4ZZ -0.00031 -0.00113 0.00005 -0.00005 0.00002 171 4XY 0.00000 0.00013 -0.00003 0.00000 -0.00005 172 4XZ 0.00016 0.00002 -0.00001 -0.00005 0.00001 173 4YZ -0.00002 0.00003 0.00000 0.00000 -0.00002 174 16 H 1S 0.01000 0.02191 -0.00039 -0.00082 0.00160 175 2S 0.00740 0.02134 0.00026 -0.00135 0.00254 176 17 H 1S -0.00334 0.00019 0.00000 0.00002 0.00000 177 2S -0.01421 -0.00033 0.00011 -0.00017 0.00014 178 18 H 1S 0.00033 0.00000 0.00000 0.00000 0.00000 179 2S 0.00392 -0.00004 0.00000 -0.00001 -0.00001 180 19 H 1S 0.00002 0.00000 0.00000 0.00000 0.00000 181 2S 0.00040 -0.00009 0.00000 0.00000 0.00000 182 20 H 1S 0.00005 0.00015 0.00000 0.00000 0.00000 183 2S 0.00047 0.00247 -0.00001 0.00000 -0.00001 184 21 H 1S -0.00036 -0.00043 -0.00001 0.00009 -0.00001 185 2S -0.00203 -0.00017 -0.00026 0.00097 -0.00025 186 22 H 1S -0.00002 0.00010 0.00000 0.00000 0.00000 187 2S -0.00030 0.00142 0.00000 0.00000 0.00000 188 23 H 1S -0.00002 -0.00096 0.00000 0.00000 0.00000 189 2S -0.00011 -0.00405 0.00002 0.00000 -0.00004 96 97 98 99 100 96 4XY 0.00095 97 4XZ 0.00000 0.00067 98 4YZ 0.00000 0.00000 0.00117 99 11 C 1S 0.00000 0.00000 0.00000 2.05271 100 2S 0.00000 0.00000 0.00000 -0.01361 0.32496 101 2PX 0.00201 0.00000 0.00000 0.00000 0.00000 102 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 2PZ 0.00000 0.00000 0.00210 0.00000 0.00000 104 3S 0.00000 0.00000 0.00000 -0.02961 0.20116 105 3PX 0.00097 0.00000 0.00000 0.00000 0.00000 106 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.00084 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 -0.00113 -0.00672 109 4YY 0.00000 0.00000 0.00000 -0.00134 -0.00218 110 4ZZ 0.00000 0.00000 0.00000 -0.00127 -0.00380 111 4XY -0.00012 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 -0.00022 0.00000 0.00000 114 12 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00058 115 2S 0.00002 0.00000 0.00001 -0.00054 0.01134 116 2PX 0.00000 0.00000 0.00005 -0.00132 0.02022 117 2PY 0.00006 0.00000 0.00002 -0.00067 0.00936 118 2PZ 0.00004 0.00000 0.00000 -0.00092 0.01358 119 3S 0.00014 0.00000 0.00009 -0.00055 0.01143 120 3PX 0.00001 0.00000 0.00018 -0.00102 0.01277 121 3PY 0.00014 0.00001 0.00006 -0.00059 0.00675 122 3PZ 0.00012 0.00000 0.00002 -0.00032 0.00387 123 4XX 0.00000 0.00000 0.00000 -0.00004 0.00057 124 4YY 0.00000 0.00000 0.00000 0.00002 -0.00045 125 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00019 126 4XY 0.00000 0.00000 0.00000 -0.00008 0.00083 127 4XZ 0.00000 0.00000 0.00000 -0.00011 0.00116 128 4YZ 0.00000 0.00000 0.00000 -0.00006 0.00065 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 130 2S 0.00000 0.00000 0.00000 0.00000 -0.00004 131 2PX 0.00000 0.00000 0.00000 0.00000 -0.00007 132 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 133 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00017 134 3S 0.00000 -0.00001 -0.00004 0.00004 -0.00076 135 3PX 0.00000 0.00000 -0.00001 0.00004 -0.00064 136 3PY 0.00000 -0.00002 0.00001 0.00000 0.00004 137 3PZ -0.00003 0.00000 -0.00001 0.00012 -0.00216 138 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 139 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 140 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00001 0.00000 0.00000 0.00000 146 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00005 0.00000 0.00000 -0.00001 149 3S 0.00000 0.00008 -0.00001 0.00002 -0.00039 150 3PX 0.00000 0.00001 0.00000 0.00000 -0.00005 151 3PY -0.00003 0.00000 -0.00001 0.00001 -0.00022 152 3PZ -0.00001 0.00018 0.00000 0.00002 -0.00032 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S -0.00008 -0.00009 -0.00007 0.00000 0.00000 160 2S 0.00083 0.00096 0.00068 0.00000 -0.00009 161 2PX 0.00020 0.00031 0.00124 0.00000 -0.00011 162 2PY -0.00002 0.00105 -0.00001 0.00000 -0.00024 163 2PZ 0.00121 -0.00005 0.00005 0.00000 -0.00005 164 3S 0.00045 0.00026 0.00036 0.00004 -0.00122 165 3PX 0.00000 -0.00001 0.00030 0.00004 -0.00090 166 3PY 0.00002 0.00009 0.00001 0.00006 -0.00155 167 3PZ 0.00025 0.00002 0.00004 0.00003 -0.00048 168 4XX 0.00000 0.00000 -0.00007 0.00000 0.00000 169 4YY 0.00000 -0.00010 0.00000 0.00000 0.00003 170 4ZZ -0.00010 0.00001 -0.00002 0.00000 0.00000 171 4XY 0.00001 0.00000 0.00001 0.00000 0.00001 172 4XZ -0.00001 0.00003 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 174 16 H 1S 0.00114 0.00172 0.00226 0.00000 -0.00017 175 2S 0.00027 0.00030 0.00052 0.00019 -0.00265 176 17 H 1S 0.00003 0.00000 0.00005 -0.00198 0.03084 177 2S 0.00012 0.00000 0.00026 -0.00120 0.01190 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00019 179 2S -0.00001 0.00000 0.00000 0.00019 -0.00267 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00015 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00004 -0.00001 0.00002 0.00000 0.00000 185 2S 0.00009 -0.00008 0.00008 0.00000 0.00013 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 -0.00006 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 -0.00001 -0.00001 0.00000 0.00001 101 102 103 104 105 101 2PX 0.36897 102 2PY 0.00000 0.41335 103 2PZ 0.00000 0.00000 0.39023 104 3S 0.00000 0.00000 0.00000 0.25010 105 3PX 0.10335 0.00000 0.00000 0.00000 0.11999 106 3PY 0.00000 0.07887 0.00000 0.00000 0.00000 107 3PZ 0.00000 0.00000 0.09568 0.00000 0.00000 108 4XX 0.00000 0.00000 0.00000 -0.00354 0.00000 109 4YY 0.00000 0.00000 0.00000 -0.00196 0.00000 110 4ZZ 0.00000 0.00000 0.00000 -0.00155 0.00000 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S -0.00143 -0.00062 -0.00090 0.00070 -0.00061 115 2S 0.02093 0.00935 0.01263 0.00574 0.01224 116 2PX -0.00057 0.01791 0.03916 0.00750 0.00366 117 2PY 0.01825 -0.00036 0.00745 0.01237 0.00805 118 2PZ 0.03418 0.00932 0.00059 0.00722 0.01437 119 3S 0.02146 0.00590 0.01306 -0.01475 0.01146 120 3PX 0.00242 0.00816 0.02061 -0.00312 0.01822 121 3PY 0.00702 -0.00073 0.00274 0.00540 0.00359 122 3PZ 0.01528 0.00376 0.00259 0.00232 0.01266 123 4XX -0.00099 0.00080 0.00133 0.00123 -0.00161 124 4YY -0.00024 -0.00025 -0.00019 -0.00158 -0.00022 125 4ZZ 0.00034 0.00013 -0.00071 0.00062 0.00152 126 4XY 0.00030 -0.00003 0.00116 0.00021 0.00001 127 4XZ 0.00034 0.00095 0.00003 0.00039 -0.00002 128 4YZ 0.00116 -0.00001 0.00009 0.00020 0.00018 129 13 C 1S 0.00000 0.00000 0.00000 0.00002 0.00001 130 2S -0.00005 0.00000 -0.00015 -0.00042 0.00002 131 2PX 0.00000 0.00000 -0.00022 -0.00083 0.00015 132 2PY 0.00000 0.00000 0.00000 -0.00002 -0.00002 133 2PZ -0.00033 0.00000 -0.00022 -0.00011 -0.00079 134 3S 0.00005 0.00002 -0.00378 0.00248 0.00384 135 3PX 0.00002 -0.00002 -0.00115 -0.00096 0.00004 136 3PY 0.00002 0.00013 0.00009 0.00009 -0.00003 137 3PZ -0.00313 0.00004 -0.00217 0.00151 -0.00198 138 4XX 0.00000 0.00000 0.00002 0.00006 -0.00008 139 4YY 0.00000 0.00000 0.00000 -0.00007 -0.00007 140 4ZZ 0.00004 0.00000 -0.00001 0.00005 0.00033 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ -0.00001 0.00000 0.00008 0.00006 -0.00006 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00001 0.00000 145 2S 0.00000 0.00000 -0.00001 -0.00036 0.00006 146 2PX 0.00000 0.00000 -0.00001 -0.00014 0.00004 147 2PY -0.00002 0.00001 0.00000 -0.00023 -0.00038 148 2PZ 0.00001 -0.00002 -0.00002 -0.00137 -0.00006 149 3S -0.00025 -0.00036 -0.00016 -0.00468 -0.00148 150 3PX 0.00000 -0.00003 -0.00005 -0.00064 0.00000 151 3PY -0.00053 0.00010 0.00006 -0.00149 -0.00158 152 3PZ 0.00017 -0.00075 -0.00016 -0.00522 -0.00027 153 4XX 0.00000 0.00000 0.00000 0.00004 0.00001 154 4YY 0.00000 0.00000 0.00000 0.00001 0.00001 155 4ZZ 0.00000 0.00000 0.00000 -0.00005 -0.00002 156 4XY 0.00000 0.00000 0.00000 -0.00001 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 158 4YZ 0.00000 0.00000 0.00000 0.00001 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 -0.00002 -0.00006 160 2S -0.00001 -0.00030 -0.00005 -0.00118 0.00040 161 2PX 0.00001 -0.00025 -0.00008 0.00136 -0.00041 162 2PY -0.00002 -0.00053 -0.00005 -0.00557 -0.00006 163 2PZ -0.00006 -0.00010 0.00000 0.00025 -0.00025 164 3S -0.00102 -0.00148 -0.00108 -0.00157 -0.00090 165 3PX -0.00004 -0.00124 -0.00095 0.00466 -0.00293 166 3PY -0.00010 0.00064 -0.00066 -0.00670 0.00027 167 3PZ -0.00104 -0.00151 -0.00021 -0.00143 -0.00242 168 4XX -0.00001 -0.00001 0.00001 -0.00002 -0.00013 169 4YY 0.00001 0.00014 0.00000 0.00046 0.00005 170 4ZZ 0.00001 -0.00001 0.00000 -0.00017 0.00010 171 4XY 0.00000 0.00006 0.00001 0.00008 0.00000 172 4XZ 0.00000 -0.00001 0.00000 -0.00002 -0.00001 173 4YZ 0.00001 0.00004 0.00000 0.00005 0.00005 174 16 H 1S -0.00007 -0.00057 -0.00007 -0.00417 0.00012 175 2S -0.00091 -0.00839 -0.00152 -0.01700 0.00059 176 17 H 1S 0.02436 0.02407 0.04947 0.04347 0.00828 177 2S 0.01601 0.01556 0.03424 0.03825 0.00516 178 18 H 1S -0.00019 -0.00047 -0.00007 -0.00450 -0.00158 179 2S -0.00256 -0.00651 -0.00039 -0.01535 -0.00582 180 19 H 1S 0.00000 0.00000 0.00000 0.00005 -0.00005 181 2S -0.00001 0.00002 0.00041 0.00079 -0.00100 182 20 H 1S 0.00000 0.00000 0.00000 0.00001 0.00001 183 2S 0.00001 0.00001 -0.00001 0.00036 0.00036 184 21 H 1S 0.00000 0.00000 0.00000 0.00015 0.00000 185 2S 0.00003 0.00051 0.00001 0.00219 0.00018 186 22 H 1S 0.00000 0.00000 -0.00001 -0.00011 0.00013 187 2S 0.00013 0.00000 -0.00054 -0.00081 0.00059 188 23 H 1S 0.00000 0.00000 0.00000 0.00004 0.00000 189 2S -0.00002 -0.00001 0.00010 0.00052 -0.00015 106 107 108 109 110 106 3PY 0.06237 107 3PZ 0.00000 0.09330 108 4XX 0.00000 0.00000 0.00092 109 4YY 0.00000 0.00000 -0.00008 0.00114 110 4ZZ 0.00000 0.00000 0.00007 -0.00006 0.00089 111 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 12 C 1S -0.00036 0.00035 -0.00003 0.00001 0.00000 115 2S 0.00249 0.00196 0.00050 -0.00046 0.00001 116 2PX 0.01210 0.01595 -0.00076 -0.00034 0.00041 117 2PY 0.00132 0.00065 0.00066 -0.00027 0.00025 118 2PZ 0.00369 0.00349 0.00099 -0.00033 -0.00055 119 3S 0.00031 0.00069 0.00113 -0.00076 -0.00044 120 3PX 0.01057 0.01516 -0.00122 0.00008 0.00087 121 3PY 0.00090 -0.00047 0.00038 -0.00056 -0.00013 122 3PZ -0.00004 0.01140 0.00142 -0.00054 -0.00080 123 4XX 0.00080 0.00174 -0.00002 -0.00003 0.00002 124 4YY -0.00043 -0.00022 -0.00004 0.00004 -0.00006 125 4ZZ -0.00031 -0.00113 0.00005 -0.00005 0.00002 126 4XY 0.00000 0.00013 -0.00003 0.00000 -0.00005 127 4XZ 0.00016 0.00002 -0.00001 -0.00005 0.00001 128 4YZ -0.00002 0.00003 0.00000 0.00000 -0.00002 129 13 C 1S 0.00000 0.00012 0.00000 0.00000 0.00000 130 2S -0.00003 -0.00177 0.00000 0.00000 0.00001 131 2PX -0.00008 -0.00219 0.00000 0.00000 0.00002 132 2PY 0.00019 0.00001 0.00000 0.00000 0.00000 133 2PZ -0.00014 0.00070 0.00001 0.00000 0.00006 134 3S -0.00018 -0.00950 0.00010 -0.00012 0.00019 135 3PX -0.00014 -0.00300 0.00000 -0.00003 0.00015 136 3PY 0.00105 0.00013 0.00000 0.00000 -0.00001 137 3PZ -0.00016 0.00127 0.00004 -0.00015 0.00050 138 4XX 0.00001 0.00026 0.00000 0.00000 0.00000 139 4YY 0.00000 -0.00002 0.00000 0.00000 0.00000 140 4ZZ -0.00001 -0.00022 0.00000 0.00000 0.00000 141 4XY -0.00002 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00001 0.00029 0.00000 0.00000 0.00000 143 4YZ -0.00005 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00001 0.00001 0.00000 0.00000 0.00000 145 2S -0.00018 -0.00042 0.00000 0.00000 0.00000 146 2PX -0.00033 -0.00003 0.00000 0.00000 0.00000 147 2PY 0.00008 0.00010 0.00000 0.00000 0.00000 148 2PZ -0.00076 -0.00117 0.00000 0.00000 0.00000 149 3S -0.00260 -0.00055 -0.00002 0.00003 0.00003 150 3PX -0.00082 0.00000 -0.00001 0.00000 0.00001 151 3PY 0.00001 0.00079 -0.00003 0.00004 -0.00002 152 3PZ -0.00249 -0.00211 0.00001 -0.00002 0.00003 153 4XX 0.00003 0.00004 0.00000 0.00000 0.00000 154 4YY 0.00003 -0.00005 0.00000 0.00000 0.00000 155 4ZZ -0.00009 0.00001 0.00000 0.00000 0.00000 156 4XY 0.00001 -0.00001 0.00000 0.00000 0.00000 157 4XZ 0.00001 -0.00002 0.00000 0.00000 0.00000 158 4YZ 0.00001 0.00003 0.00000 0.00000 0.00000 159 15 C 1S 0.00010 -0.00004 0.00000 0.00000 0.00000 160 2S -0.00274 -0.00007 0.00000 0.00002 0.00000 161 2PX 0.00143 0.00025 0.00000 0.00001 0.00000 162 2PY -0.00579 0.00006 0.00000 0.00006 0.00000 163 2PZ -0.00045 -0.00044 0.00000 0.00002 0.00000 164 3S -0.00347 -0.00043 0.00000 0.00009 0.00005 165 3PX 0.00394 -0.00051 0.00010 -0.00006 -0.00002 166 3PY -0.00164 -0.00011 0.00004 0.00012 0.00000 167 3PZ -0.00328 -0.00241 -0.00007 0.00006 0.00005 168 4XX -0.00004 0.00017 0.00000 0.00000 0.00000 169 4YY 0.00070 -0.00004 0.00000 0.00000 0.00000 170 4ZZ -0.00027 -0.00007 0.00000 0.00000 0.00000 171 4XY 0.00010 0.00004 0.00000 0.00000 0.00000 172 4XZ -0.00001 0.00001 0.00000 0.00000 0.00000 173 4YZ 0.00006 0.00000 0.00000 0.00000 0.00000 174 16 H 1S -0.00334 0.00019 0.00000 0.00002 0.00000 175 2S -0.01421 -0.00033 0.00011 -0.00017 0.00014 176 17 H 1S 0.01001 0.02191 -0.00039 -0.00082 0.00160 177 2S 0.00740 0.02134 0.00026 -0.00135 0.00254 178 18 H 1S -0.00036 -0.00043 -0.00001 0.00009 -0.00001 179 2S -0.00203 -0.00017 -0.00026 0.00097 -0.00025 180 19 H 1S 0.00005 0.00015 0.00000 0.00000 0.00000 181 2S 0.00047 0.00247 -0.00001 0.00000 -0.00001 182 20 H 1S 0.00002 0.00000 0.00000 0.00000 0.00000 183 2S 0.00040 -0.00010 0.00000 0.00000 0.00000 184 21 H 1S 0.00033 0.00000 0.00000 0.00000 0.00000 185 2S 0.00392 -0.00004 0.00000 -0.00001 -0.00001 186 22 H 1S -0.00002 -0.00096 0.00000 0.00000 0.00000 187 2S -0.00011 -0.00406 0.00002 0.00000 -0.00004 188 23 H 1S -0.00002 0.00010 0.00000 0.00000 0.00000 189 2S -0.00030 0.00142 0.00000 0.00000 0.00000 111 112 113 114 115 111 4XY 0.00095 112 4XZ 0.00000 0.00067 113 4YZ 0.00000 0.00000 0.00117 114 12 C 1S -0.00008 -0.00009 -0.00007 2.05499 115 2S 0.00083 0.00096 0.00068 -0.01344 0.32633 116 2PX 0.00020 0.00031 0.00124 0.00000 0.00000 117 2PY -0.00002 0.00105 -0.00001 0.00000 0.00000 118 2PZ 0.00121 -0.00005 0.00005 0.00000 0.00000 119 3S 0.00045 0.00026 0.00036 -0.03645 0.23613 120 3PX 0.00000 -0.00001 0.00030 0.00000 0.00000 121 3PY 0.00002 0.00009 0.00001 0.00000 0.00000 122 3PZ 0.00025 0.00002 0.00004 0.00000 0.00000 123 4XX 0.00000 0.00000 -0.00007 -0.00090 -0.00921 124 4YY 0.00000 -0.00010 0.00000 -0.00145 0.00112 125 4ZZ -0.00010 0.00001 -0.00002 -0.00111 -0.00519 126 4XY 0.00001 0.00000 0.00001 0.00000 0.00000 127 4XZ -0.00001 0.00003 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00019 130 2S 0.00000 0.00001 0.00000 -0.00020 0.00510 131 2PX 0.00000 0.00001 0.00000 -0.00009 0.00177 132 2PY 0.00000 0.00000 0.00000 -0.00019 0.00372 133 2PZ 0.00000 0.00005 0.00000 -0.00117 0.02397 134 3S 0.00000 0.00008 -0.00001 0.00013 0.00692 135 3PX 0.00000 0.00001 0.00000 -0.00008 0.00179 136 3PY -0.00003 0.00000 -0.00001 -0.00024 0.00226 137 3PZ -0.00001 0.00018 0.00000 -0.00127 0.01980 138 4XX 0.00000 0.00000 0.00000 0.00000 -0.00030 139 4YY 0.00000 0.00000 0.00000 0.00000 -0.00018 140 4ZZ 0.00000 0.00000 0.00000 -0.00007 0.00165 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00007 142 4XZ 0.00000 0.00000 0.00000 -0.00002 0.00039 143 4YZ 0.00000 0.00000 0.00000 -0.00005 0.00083 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 145 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 -0.00011 148 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00004 149 3S 0.00000 -0.00001 -0.00004 0.00000 -0.00058 150 3PX 0.00000 0.00000 -0.00001 0.00000 -0.00008 151 3PY 0.00000 -0.00002 0.00001 0.00009 -0.00203 152 3PZ -0.00003 0.00000 -0.00001 0.00000 -0.00047 153 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 155 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00002 0.00000 0.00001 0.00000 -0.00002 161 2PX 0.00000 0.00000 0.00005 0.00000 0.00000 162 2PY 0.00006 0.00000 0.00002 0.00000 -0.00007 163 2PZ 0.00004 0.00000 0.00000 0.00000 0.00000 164 3S 0.00014 0.00000 0.00009 0.00007 -0.00089 165 3PX 0.00001 0.00000 0.00018 0.00000 0.00000 166 3PY 0.00014 0.00001 0.00006 0.00011 -0.00067 167 3PZ 0.00012 0.00000 0.00002 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00003 0.00000 0.00005 0.00000 0.00000 175 2S 0.00012 0.00000 0.00026 0.00000 0.00013 176 17 H 1S 0.00114 0.00172 0.00226 0.00000 -0.00020 177 2S 0.00027 0.00030 0.00052 0.00026 -0.00342 178 18 H 1S 0.00004 -0.00001 0.00002 -0.00196 0.03098 179 2S 0.00009 -0.00008 0.00008 -0.00121 0.01237 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00015 181 2S 0.00000 0.00000 0.00000 0.00020 -0.00288 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00000 0.00009 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S -0.00001 0.00000 0.00000 0.00000 0.00002 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00019 187 2S 0.00000 -0.00001 -0.00001 0.00018 -0.00332 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00006 116 117 118 119 120 116 2PX 0.35439 117 2PY 0.00000 0.41151 118 2PZ 0.00000 0.00000 0.38399 119 3S 0.00000 0.00000 0.00000 0.30063 120 3PX 0.11188 0.00000 0.00000 0.00000 0.12487 121 3PY 0.00000 0.07408 0.00000 0.00000 0.00000 122 3PZ 0.00000 0.00000 0.09697 0.00000 0.00000 123 4XX 0.00000 0.00000 0.00000 -0.00711 0.00000 124 4YY 0.00000 0.00000 0.00000 0.00243 0.00000 125 4ZZ 0.00000 0.00000 0.00000 -0.00427 0.00000 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S -0.00012 -0.00024 -0.00095 -0.00008 -0.00013 130 2S 0.00225 0.00424 0.01884 0.00439 0.00144 131 2PX 0.00002 0.00094 0.00648 0.00232 0.00002 132 2PY 0.00070 -0.00061 0.01258 0.00318 0.00032 133 2PZ 0.00790 0.01391 0.04482 0.02221 0.00379 134 3S 0.00564 0.00982 0.01743 0.00012 0.00757 135 3PX 0.00000 0.00068 0.00365 0.00180 -0.00074 136 3PY 0.00058 0.00034 0.00760 0.00225 0.00009 137 3PZ 0.00425 0.00822 0.01548 0.01207 0.00263 138 4XX 0.00003 -0.00007 -0.00038 -0.00096 -0.00026 139 4YY -0.00003 -0.00006 -0.00029 -0.00038 -0.00014 140 4ZZ 0.00057 0.00108 0.00023 0.00238 0.00065 141 4XY 0.00004 0.00000 0.00021 0.00004 0.00006 142 4XZ 0.00047 0.00020 0.00058 0.00013 0.00053 143 4YZ 0.00023 0.00005 0.00129 0.00035 0.00005 144 14 C 1S 0.00000 0.00000 0.00000 0.00002 0.00001 145 2S 0.00000 -0.00008 -0.00005 -0.00040 -0.00009 146 2PX 0.00000 -0.00001 0.00000 -0.00011 -0.00004 147 2PY 0.00000 -0.00027 -0.00017 -0.00123 -0.00020 148 2PZ 0.00000 -0.00004 -0.00006 0.00017 -0.00019 149 3S -0.00039 -0.00336 0.00006 -0.00142 -0.00184 150 3PX 0.00020 -0.00018 0.00002 -0.00033 0.00051 151 3PY -0.00020 -0.00450 -0.00131 -0.00425 -0.00083 152 3PZ -0.00018 -0.00023 -0.00028 0.00049 -0.00062 153 4XX 0.00000 0.00000 0.00000 0.00001 0.00001 154 4YY 0.00000 0.00001 0.00000 0.00002 0.00003 155 4ZZ 0.00000 -0.00001 0.00000 -0.00002 -0.00004 156 4XY 0.00000 0.00000 0.00000 0.00001 0.00002 157 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00002 158 4YZ 0.00000 0.00003 0.00002 0.00005 0.00002 159 15 C 1S 0.00000 0.00000 0.00000 0.00007 0.00000 160 2S 0.00000 -0.00007 0.00000 -0.00089 0.00000 161 2PX -0.00004 0.00000 0.00000 0.00000 -0.00148 162 2PY 0.00000 -0.00020 0.00000 -0.00117 0.00000 163 2PZ 0.00000 0.00000 -0.00003 0.00000 0.00000 164 3S 0.00000 -0.00117 0.00000 -0.00468 0.00000 165 3PX -0.00148 0.00000 0.00000 0.00000 -0.00748 166 3PY 0.00000 0.00120 0.00000 -0.00138 0.00000 167 3PZ 0.00000 0.00000 -0.00097 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 0.00001 0.00000 169 4YY 0.00000 0.00001 0.00000 0.00002 0.00000 170 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 -0.00002 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00011 0.00012 175 2S 0.00023 0.00019 0.00011 0.00169 0.00167 176 17 H 1S -0.00035 0.00000 -0.00037 -0.00410 -0.00228 177 2S -0.00577 0.00001 -0.00550 -0.01509 -0.01064 178 18 H 1S 0.00105 0.09692 0.00069 0.04240 0.00025 179 2S 0.00024 0.06457 0.00048 0.02340 -0.00063 180 19 H 1S -0.00026 0.00000 -0.00029 -0.00231 -0.00206 181 2S -0.00585 -0.00011 -0.00246 -0.01153 -0.01242 182 20 H 1S 0.00000 0.00000 0.00000 0.00004 0.00005 183 2S 0.00011 0.00015 0.00006 0.00041 0.00089 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00006 0.00000 0.00020 0.00003 186 22 H 1S 0.00001 -0.00001 -0.00045 -0.00122 -0.00012 187 2S -0.00013 -0.00012 -0.00666 -0.00380 -0.00091 188 23 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 189 2S 0.00001 0.00010 0.00023 0.00004 0.00006 121 122 123 124 125 121 3PY 0.05321 122 3PZ 0.00000 0.09659 123 4XX 0.00000 0.00000 0.00149 124 4YY 0.00000 0.00000 -0.00017 0.00186 125 4ZZ 0.00000 0.00000 0.00002 -0.00024 0.00145 126 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 129 13 C 1S -0.00030 -0.00056 0.00000 0.00001 -0.00008 130 2S 0.00327 0.01093 -0.00025 -0.00028 0.00173 131 2PX 0.00013 0.00151 0.00003 -0.00004 0.00057 132 2PY -0.00170 0.00724 -0.00003 -0.00005 0.00113 133 2PZ 0.00268 0.01200 -0.00056 -0.00047 -0.00015 134 3S 0.00649 -0.00033 -0.00076 -0.00147 0.00324 135 3PX -0.00003 0.00122 -0.00020 -0.00007 0.00038 136 3PY -0.00189 0.00562 -0.00013 -0.00035 0.00081 137 3PZ 0.00065 0.00190 -0.00046 -0.00095 0.00011 138 4XX 0.00001 0.00003 0.00002 -0.00001 0.00000 139 4YY -0.00034 -0.00005 0.00000 0.00002 -0.00008 140 4ZZ 0.00048 -0.00049 -0.00005 -0.00006 0.00007 141 4XY 0.00001 0.00003 0.00000 0.00000 0.00001 142 4XZ 0.00001 0.00015 0.00000 -0.00001 -0.00007 143 4YZ 0.00023 0.00018 -0.00002 0.00000 -0.00007 144 14 C 1S 0.00005 0.00001 0.00000 0.00000 0.00000 145 2S -0.00095 -0.00046 0.00000 0.00001 0.00000 146 2PX 0.00000 0.00006 0.00000 0.00000 0.00000 147 2PY -0.00108 -0.00158 0.00000 0.00005 -0.00001 148 2PZ 0.00178 -0.00044 0.00000 0.00000 0.00000 149 3S -0.00547 0.00200 -0.00002 0.00026 -0.00011 150 3PX -0.00014 0.00022 0.00000 0.00001 0.00000 151 3PY -0.00385 -0.00215 -0.00003 0.00058 -0.00029 152 3PZ 0.00275 -0.00015 -0.00003 0.00000 0.00001 153 4XX -0.00005 0.00000 0.00000 0.00000 0.00000 154 4YY 0.00004 -0.00010 0.00000 0.00000 0.00000 155 4ZZ 0.00006 0.00006 0.00000 0.00000 0.00000 156 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 157 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 158 4YZ 0.00002 0.00007 0.00000 0.00000 0.00000 159 15 C 1S 0.00011 0.00000 0.00000 0.00000 0.00000 160 2S -0.00067 0.00000 0.00000 0.00000 0.00000 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00120 0.00000 0.00000 0.00001 0.00000 163 2PZ 0.00000 -0.00097 0.00000 0.00000 0.00000 164 3S -0.00138 0.00000 0.00001 0.00002 0.00001 165 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 166 3PY 0.00481 0.00000 -0.00001 -0.00005 0.00001 167 3PZ 0.00000 -0.00447 0.00000 0.00000 0.00000 168 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 169 4YY -0.00005 0.00000 0.00000 0.00000 0.00000 170 4ZZ 0.00001 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 -0.00003 0.00000 0.00000 0.00000 174 16 H 1S 0.00006 0.00007 0.00000 0.00000 0.00000 175 2S 0.00108 0.00063 0.00000 -0.00002 0.00000 176 17 H 1S -0.00011 -0.00102 0.00002 -0.00001 0.00006 177 2S -0.00027 -0.00394 0.00015 -0.00035 0.00070 178 18 H 1S 0.04297 0.00017 -0.00103 0.00754 -0.00119 179 2S 0.04178 -0.00010 -0.00176 0.00684 -0.00308 180 19 H 1S 0.00009 0.00032 0.00003 0.00000 0.00001 181 2S -0.00013 0.00542 0.00057 -0.00014 -0.00023 182 20 H 1S -0.00005 0.00002 0.00000 0.00000 0.00000 183 2S -0.00025 -0.00010 0.00000 -0.00001 0.00001 184 21 H 1S -0.00003 0.00000 0.00000 0.00000 0.00000 185 2S -0.00016 0.00001 0.00000 0.00000 0.00000 186 22 H 1S 0.00015 -0.00578 0.00000 0.00000 0.00014 187 2S 0.00030 -0.01806 -0.00007 -0.00012 0.00070 188 23 H 1S -0.00011 0.00024 0.00000 0.00000 0.00000 189 2S -0.00014 0.00192 0.00001 -0.00002 0.00000 126 127 128 129 130 126 4XY 0.00042 127 4XZ 0.00000 0.00069 128 4YZ 0.00000 0.00000 0.00065 129 13 C 1S 0.00000 -0.00002 -0.00004 2.05092 130 2S 0.00008 0.00027 0.00071 -0.01170 0.30682 131 2PX 0.00002 0.00055 0.00018 0.00000 0.00000 132 2PY 0.00000 0.00016 0.00007 0.00000 0.00000 133 2PZ 0.00023 0.00036 0.00127 0.00000 0.00000 134 3S 0.00007 0.00015 0.00038 -0.03425 0.22724 135 3PX 0.00002 0.00045 0.00004 0.00000 0.00000 136 3PY 0.00000 0.00003 0.00015 0.00000 0.00000 137 3PZ 0.00007 0.00003 0.00018 0.00000 0.00000 138 4XX 0.00000 0.00000 -0.00003 -0.00141 0.00014 139 4YY 0.00000 -0.00001 0.00000 -0.00123 -0.00365 140 4ZZ 0.00000 -0.00001 -0.00002 -0.00129 -0.00249 141 4XY 0.00000 0.00002 0.00000 0.00000 0.00000 142 4XZ 0.00001 -0.00005 0.00001 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00013 145 2S 0.00000 0.00000 0.00001 -0.00013 0.00349 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00005 -0.00105 0.02291 148 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 149 3S 0.00001 0.00000 0.00006 0.00028 0.00260 150 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 151 3PY 0.00001 -0.00001 0.00017 -0.00147 0.02051 152 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 0.00000 -0.00023 154 4YY 0.00000 0.00000 0.00000 -0.00011 0.00250 155 4ZZ 0.00000 0.00000 0.00000 0.00000 -0.00022 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 161 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 2PY 0.00000 0.00000 0.00000 0.00000 -0.00008 163 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00005 164 3S 0.00000 0.00000 0.00000 0.00002 -0.00040 165 3PX -0.00002 0.00000 0.00000 0.00001 -0.00009 166 3PY 0.00000 0.00000 0.00000 0.00005 -0.00095 167 3PZ 0.00000 0.00000 -0.00003 0.00001 -0.00046 168 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 170 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00001 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00000 176 17 H 1S 0.00000 0.00005 0.00000 0.00000 0.00000 177 2S -0.00002 0.00009 -0.00002 0.00000 0.00008 178 18 H 1S 0.00009 0.00001 0.00008 0.00000 -0.00013 179 2S 0.00002 0.00000 0.00001 0.00016 -0.00247 180 19 H 1S 0.00000 0.00008 0.00000 -0.00170 0.02784 181 2S -0.00001 0.00030 -0.00002 -0.00043 0.00951 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00011 183 2S 0.00000 0.00000 0.00000 0.00009 -0.00166 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00006 186 22 H 1S 0.00000 0.00002 0.00000 -0.00166 0.02734 187 2S 0.00000 0.00008 -0.00003 -0.00064 0.00994 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00013 189 2S 0.00000 0.00000 -0.00001 0.00013 -0.00208 131 132 133 134 135 131 2PX 0.41187 132 2PY 0.00000 0.38124 133 2PZ 0.00000 0.00000 0.38896 134 3S 0.00000 0.00000 0.00000 0.30210 135 3PX 0.10595 0.00000 0.00000 0.00000 0.08585 136 3PY 0.00000 0.09886 0.00000 0.00000 0.00000 137 3PZ 0.00000 0.00000 0.10249 0.00000 0.00000 138 4XX 0.00000 0.00000 0.00000 -0.00022 0.00000 139 4YY 0.00000 0.00000 0.00000 -0.00323 0.00000 140 4ZZ 0.00000 0.00000 0.00000 -0.00010 0.00000 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S 0.00000 -0.00105 0.00000 0.00028 0.00000 145 2S 0.00000 0.02291 0.00000 0.00260 0.00000 146 2PX -0.00004 0.00000 0.00000 0.00000 -0.00093 147 2PY 0.00000 0.07729 0.00000 0.02762 0.00000 148 2PZ 0.00000 0.00000 0.00042 0.00000 0.00000 149 3S 0.00000 0.02763 0.00000 -0.01566 0.00000 150 3PX -0.00093 0.00000 0.00000 0.00000 -0.00257 151 3PY 0.00000 0.03407 0.00000 0.01958 0.00000 152 3PZ 0.00000 0.00000 -0.00123 0.00000 0.00000 153 4XX 0.00000 -0.00056 0.00000 -0.00079 0.00000 154 4YY 0.00000 0.00251 0.00000 0.00369 0.00000 155 4ZZ 0.00000 -0.00064 0.00000 -0.00124 0.00000 156 4XY 0.00114 0.00000 0.00000 0.00000 0.00074 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00104 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 160 2S 0.00000 -0.00011 -0.00004 -0.00058 -0.00008 161 2PX 0.00000 0.00000 0.00000 -0.00039 0.00020 162 2PY -0.00001 -0.00027 -0.00004 -0.00336 -0.00018 163 2PZ 0.00000 -0.00017 -0.00006 0.00006 0.00002 164 3S -0.00011 -0.00123 0.00017 -0.00142 -0.00033 165 3PX -0.00004 -0.00020 -0.00019 -0.00184 0.00051 166 3PY 0.00000 -0.00108 0.00178 -0.00547 -0.00015 167 3PZ 0.00005 -0.00158 -0.00044 0.00200 0.00022 168 4XX 0.00000 0.00000 0.00000 -0.00002 0.00000 169 4YY 0.00000 0.00005 0.00000 0.00026 0.00001 170 4ZZ 0.00000 -0.00001 0.00000 -0.00011 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00001 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 -0.00001 173 4YZ 0.00000 0.00005 0.00000 0.00006 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 -0.00001 -0.00005 176 17 H 1S 0.00000 0.00000 0.00000 0.00008 0.00002 177 2S 0.00009 0.00001 0.00033 0.00142 0.00048 178 18 H 1S -0.00001 -0.00028 -0.00025 -0.00400 -0.00014 179 2S -0.00020 -0.00446 -0.00431 -0.01623 -0.00051 180 19 H 1S 0.07932 0.01254 0.00674 0.03034 0.05114 181 2S 0.05033 0.00744 0.00404 -0.00477 0.04890 182 20 H 1S -0.00012 -0.00032 0.00000 -0.00122 -0.00112 183 2S -0.00196 -0.00463 -0.00003 -0.00090 -0.00408 184 21 H 1S 0.00000 0.00000 0.00000 0.00007 0.00000 185 2S 0.00000 0.00029 0.00004 0.00130 0.00003 186 22 H 1S 0.04268 0.00966 0.04455 0.03402 0.02647 187 2S 0.02851 0.00580 0.02893 0.01332 0.02783 188 23 H 1S -0.00008 -0.00033 -0.00008 -0.00222 -0.00056 189 2S -0.00121 -0.00487 -0.00081 -0.00793 -0.00243 136 137 138 139 140 136 3PY 0.08588 137 3PZ 0.00000 0.09074 138 4XX 0.00000 0.00000 0.00113 139 4YY 0.00000 0.00000 -0.00011 0.00121 140 4ZZ 0.00000 0.00000 -0.00006 -0.00011 0.00105 141 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 14 C 1S -0.00147 0.00000 0.00000 -0.00011 0.00000 145 2S 0.02051 0.00000 -0.00023 0.00250 -0.00022 146 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 2PY 0.03407 0.00000 -0.00056 0.00251 -0.00064 148 2PZ 0.00000 -0.00123 0.00000 0.00000 0.00000 149 3S 0.01958 0.00000 -0.00079 0.00369 -0.00124 150 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 3PY 0.01442 0.00000 -0.00111 0.00189 -0.00167 152 3PZ 0.00000 -0.00415 0.00000 0.00000 0.00000 153 4XX -0.00111 0.00000 0.00000 -0.00001 0.00000 154 4YY 0.00189 0.00000 -0.00001 -0.00002 -0.00001 155 4ZZ -0.00167 0.00000 0.00000 -0.00001 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00072 0.00000 0.00000 0.00000 159 15 C 1S 0.00009 0.00000 0.00000 0.00000 0.00000 160 2S -0.00203 -0.00047 0.00000 0.00000 0.00000 161 2PX -0.00020 -0.00018 0.00000 0.00000 0.00000 162 2PY -0.00450 -0.00024 0.00000 0.00001 -0.00001 163 2PZ -0.00131 -0.00028 0.00000 0.00000 0.00000 164 3S -0.00425 0.00049 0.00001 0.00002 -0.00002 165 3PX -0.00083 -0.00062 0.00001 0.00003 -0.00004 166 3PY -0.00385 0.00275 -0.00005 0.00004 0.00006 167 3PZ -0.00215 -0.00015 0.00000 -0.00010 0.00006 168 4XX -0.00003 -0.00003 0.00000 0.00000 0.00000 169 4YY 0.00058 0.00000 0.00000 0.00000 0.00000 170 4ZZ -0.00029 0.00001 0.00000 0.00000 0.00000 171 4XY 0.00001 0.00000 0.00000 0.00000 0.00000 172 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00017 0.00001 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S -0.00001 -0.00008 0.00000 0.00000 0.00000 176 17 H 1S 0.00001 0.00020 0.00000 0.00000 0.00000 177 2S 0.00015 0.00283 -0.00001 0.00000 0.00000 178 18 H 1S -0.00097 -0.00282 0.00000 0.00004 -0.00001 179 2S -0.00527 -0.00972 -0.00003 0.00065 -0.00038 180 19 H 1S 0.00787 0.00549 0.00438 -0.00079 -0.00093 181 2S 0.00646 0.00408 0.00431 -0.00101 -0.00230 182 20 H 1S -0.00278 -0.00020 0.00000 0.00002 0.00000 183 2S -0.00870 -0.00031 -0.00005 -0.00016 0.00020 184 21 H 1S 0.00023 0.00000 0.00000 0.00000 0.00000 185 2S 0.00301 0.00018 0.00000 0.00000 0.00000 186 22 H 1S 0.00709 0.02917 0.00062 -0.00087 0.00098 187 2S 0.00655 0.02843 0.00050 -0.00155 0.00172 188 23 H 1S -0.00202 -0.00076 0.00000 0.00003 0.00000 189 2S -0.00760 -0.00160 0.00013 -0.00003 0.00003 141 142 143 144 145 141 4XY 0.00096 142 4XZ 0.00000 0.00130 143 4YZ 0.00000 0.00000 0.00091 144 14 C 1S 0.00000 0.00000 0.00000 2.05092 145 2S 0.00000 0.00000 0.00000 -0.01170 0.30682 146 2PX 0.00114 0.00000 0.00000 0.00000 0.00000 147 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 2PZ 0.00000 0.00000 0.00104 0.00000 0.00000 149 3S 0.00000 0.00000 0.00000 -0.03425 0.22724 150 3PX 0.00074 0.00000 0.00000 0.00000 0.00000 151 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.00072 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 -0.00141 0.00014 154 4YY 0.00000 0.00000 0.00000 -0.00123 -0.00365 155 4ZZ 0.00000 0.00000 0.00000 -0.00129 -0.00249 156 4XY -0.00016 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 -0.00012 0.00000 0.00000 159 15 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00020 160 2S 0.00000 0.00000 0.00001 -0.00019 0.00510 161 2PX 0.00000 0.00000 0.00000 -0.00012 0.00225 162 2PY 0.00000 0.00000 0.00003 -0.00024 0.00423 163 2PZ 0.00000 0.00000 0.00002 -0.00095 0.01884 164 3S 0.00001 0.00000 0.00005 -0.00008 0.00439 165 3PX 0.00002 -0.00002 0.00002 -0.00013 0.00144 166 3PY 0.00000 0.00000 0.00002 -0.00030 0.00327 167 3PZ 0.00001 -0.00001 0.00007 -0.00056 0.01093 168 4XX 0.00000 0.00000 0.00000 0.00000 -0.00025 169 4YY 0.00000 0.00000 0.00000 0.00001 -0.00028 170 4ZZ 0.00000 0.00000 0.00000 -0.00008 0.00173 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00008 172 4XZ 0.00000 0.00000 0.00000 -0.00002 0.00027 173 4YZ 0.00000 0.00000 0.00000 -0.00004 0.00071 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 175 2S 0.00000 0.00000 0.00000 0.00000 0.00008 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 178 18 H 1S 0.00000 0.00000 0.00004 0.00000 0.00000 179 2S 0.00001 -0.00001 0.00010 0.00000 0.00006 180 19 H 1S 0.00195 0.00105 0.00021 0.00000 -0.00011 181 2S 0.00042 0.00029 0.00003 0.00009 -0.00166 182 20 H 1S 0.00005 0.00000 0.00000 -0.00170 0.02784 183 2S 0.00028 -0.00001 0.00002 -0.00043 0.00951 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00013 185 2S 0.00000 0.00000 -0.00001 0.00016 -0.00247 186 22 H 1S 0.00087 0.00338 0.00098 0.00000 -0.00013 187 2S 0.00021 0.00078 0.00021 0.00013 -0.00208 188 23 H 1S 0.00003 0.00000 0.00003 -0.00166 0.02734 189 2S 0.00017 -0.00003 0.00015 -0.00064 0.00994 146 147 148 149 150 146 2PX 0.41187 147 2PY 0.00000 0.38124 148 2PZ 0.00000 0.00000 0.38896 149 3S 0.00000 0.00000 0.00000 0.30210 150 3PX 0.10595 0.00000 0.00000 0.00000 0.08586 151 3PY 0.00000 0.09886 0.00000 0.00000 0.00000 152 3PZ 0.00000 0.00000 0.10248 0.00000 0.00000 153 4XX 0.00000 0.00000 0.00000 -0.00022 0.00000 154 4YY 0.00000 0.00000 0.00000 -0.00323 0.00000 155 4ZZ 0.00000 0.00000 0.00000 -0.00010 0.00000 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S -0.00009 -0.00019 -0.00117 0.00013 -0.00008 160 2S 0.00177 0.00371 0.02397 0.00692 0.00180 161 2PX 0.00002 0.00070 0.00791 0.00564 -0.00001 162 2PY 0.00094 -0.00061 0.01389 0.00981 0.00069 163 2PZ 0.00649 0.01257 0.04482 0.01743 0.00365 164 3S 0.00233 0.00318 0.02221 0.00013 0.00180 165 3PX 0.00002 0.00032 0.00380 0.00758 -0.00075 166 3PY 0.00013 -0.00170 0.00268 0.00649 -0.00003 167 3PZ 0.00152 0.00723 0.01200 -0.00033 0.00123 168 4XX 0.00003 -0.00003 -0.00056 -0.00076 -0.00020 169 4YY -0.00004 -0.00005 -0.00047 -0.00147 -0.00007 170 4ZZ 0.00057 0.00113 -0.00015 0.00324 0.00038 171 4XY 0.00002 0.00000 0.00023 0.00007 0.00002 172 4XZ 0.00055 0.00016 0.00037 0.00015 0.00045 173 4YZ 0.00018 0.00007 0.00127 0.00037 0.00004 174 16 H 1S 0.00000 0.00000 0.00000 0.00008 0.00002 175 2S 0.00009 0.00001 0.00033 0.00142 0.00048 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 -0.00001 -0.00005 178 18 H 1S 0.00000 0.00000 0.00000 0.00007 0.00000 179 2S 0.00000 0.00029 0.00004 0.00130 0.00003 180 19 H 1S -0.00012 -0.00032 0.00000 -0.00122 -0.00112 181 2S -0.00195 -0.00464 -0.00003 -0.00090 -0.00407 182 20 H 1S 0.07935 0.01254 0.00672 0.03034 0.05116 183 2S 0.05034 0.00744 0.00403 -0.00478 0.04891 184 21 H 1S -0.00001 -0.00028 -0.00025 -0.00400 -0.00014 185 2S -0.00020 -0.00446 -0.00431 -0.01623 -0.00051 186 22 H 1S -0.00008 -0.00033 -0.00008 -0.00222 -0.00056 187 2S -0.00121 -0.00487 -0.00081 -0.00793 -0.00243 188 23 H 1S 0.04264 0.00967 0.04457 0.03402 0.02645 189 2S 0.02849 0.00581 0.02894 0.01332 0.02781 151 152 153 154 155 151 3PY 0.08588 152 3PZ 0.00000 0.09073 153 4XX 0.00000 0.00000 0.00114 154 4YY 0.00000 0.00000 -0.00011 0.00121 155 4ZZ 0.00000 0.00000 -0.00006 -0.00011 0.00105 156 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 159 15 C 1S -0.00024 -0.00127 0.00000 0.00000 -0.00007 160 2S 0.00226 0.01980 -0.00030 -0.00018 0.00165 161 2PX 0.00058 0.00425 0.00003 -0.00003 0.00057 162 2PY 0.00034 0.00821 -0.00007 -0.00006 0.00108 163 2PZ 0.00759 0.01549 -0.00038 -0.00029 0.00023 164 3S 0.00225 0.01207 -0.00096 -0.00038 0.00238 165 3PX 0.00009 0.00263 -0.00026 -0.00014 0.00065 166 3PY -0.00189 0.00065 0.00001 -0.00034 0.00048 167 3PZ 0.00562 0.00190 0.00004 -0.00005 -0.00049 168 4XX -0.00013 -0.00046 0.00002 0.00000 -0.00005 169 4YY -0.00035 -0.00095 -0.00001 0.00002 -0.00006 170 4ZZ 0.00081 0.00011 0.00000 -0.00008 0.00007 171 4XY 0.00000 0.00007 0.00000 0.00000 0.00000 172 4XZ 0.00003 0.00003 0.00000 -0.00001 -0.00001 173 4YZ 0.00015 0.00018 -0.00003 0.00000 -0.00002 174 16 H 1S 0.00001 0.00020 0.00000 0.00000 0.00000 175 2S 0.00015 0.00283 -0.00001 0.00000 0.00000 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S -0.00001 -0.00008 0.00000 0.00000 0.00000 178 18 H 1S 0.00023 0.00000 0.00000 0.00000 0.00000 179 2S 0.00301 0.00018 0.00000 0.00000 0.00000 180 19 H 1S -0.00278 -0.00020 0.00000 0.00002 0.00000 181 2S -0.00870 -0.00031 -0.00005 -0.00016 0.00020 182 20 H 1S 0.00787 0.00548 0.00438 -0.00079 -0.00093 183 2S 0.00646 0.00407 0.00431 -0.00101 -0.00230 184 21 H 1S -0.00097 -0.00282 0.00000 0.00004 -0.00001 185 2S -0.00527 -0.00972 -0.00003 0.00065 -0.00038 186 22 H 1S -0.00202 -0.00076 0.00000 0.00003 0.00000 187 2S -0.00760 -0.00160 0.00013 -0.00003 0.00003 188 23 H 1S 0.00710 0.02918 0.00062 -0.00087 0.00099 189 2S 0.00656 0.02845 0.00050 -0.00155 0.00172 156 157 158 159 160 156 4XY 0.00096 157 4XZ 0.00000 0.00130 158 4YZ 0.00000 0.00000 0.00091 159 15 C 1S 0.00000 -0.00002 -0.00005 2.05499 160 2S 0.00007 0.00039 0.00082 -0.01344 0.32633 161 2PX 0.00004 0.00047 0.00023 0.00000 0.00000 162 2PY 0.00000 0.00020 0.00005 0.00000 0.00000 163 2PZ 0.00021 0.00058 0.00129 0.00000 0.00000 164 3S 0.00004 0.00013 0.00035 -0.03645 0.23612 165 3PX 0.00005 0.00053 0.00005 0.00000 0.00000 166 3PY 0.00001 0.00001 0.00023 0.00000 0.00000 167 3PZ 0.00003 0.00015 0.00018 0.00000 0.00000 168 4XX 0.00000 0.00000 -0.00002 -0.00090 -0.00921 169 4YY 0.00000 -0.00001 0.00000 -0.00145 0.00112 170 4ZZ 0.00001 -0.00007 -0.00007 -0.00111 -0.00519 171 4XY 0.00000 0.00001 0.00000 0.00000 0.00000 172 4XZ 0.00002 -0.00005 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 174 16 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00020 175 2S 0.00000 -0.00001 0.00000 0.00026 -0.00342 176 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 177 2S 0.00000 0.00000 0.00000 0.00000 0.00013 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 -0.00001 0.00000 0.00002 180 19 H 1S 0.00005 0.00000 0.00000 0.00000 0.00000 181 2S 0.00028 -0.00001 0.00002 0.00000 0.00009 182 20 H 1S 0.00195 0.00104 0.00021 0.00000 -0.00015 183 2S 0.00042 0.00029 0.00003 0.00020 -0.00288 184 21 H 1S 0.00000 0.00000 0.00004 -0.00196 0.03098 185 2S 0.00001 -0.00001 0.00010 -0.00121 0.01237 186 22 H 1S 0.00003 0.00000 0.00003 0.00000 0.00000 187 2S 0.00017 -0.00003 0.00015 0.00000 0.00006 188 23 H 1S 0.00087 0.00338 0.00098 0.00000 -0.00019 189 2S 0.00021 0.00078 0.00021 0.00018 -0.00332 161 162 163 164 165 161 2PX 0.35439 162 2PY 0.00000 0.41151 163 2PZ 0.00000 0.00000 0.38399 164 3S 0.00000 0.00000 0.00000 0.30060 165 3PX 0.11188 0.00000 0.00000 0.00000 0.12487 166 3PY 0.00000 0.07408 0.00000 0.00000 0.00000 167 3PZ 0.00000 0.00000 0.09697 0.00000 0.00000 168 4XX 0.00000 0.00000 0.00000 -0.00711 0.00000 169 4YY 0.00000 0.00000 0.00000 0.00243 0.00000 170 4ZZ 0.00000 0.00000 0.00000 -0.00427 0.00000 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S -0.00035 0.00000 -0.00037 -0.00410 -0.00228 175 2S -0.00577 0.00001 -0.00550 -0.01509 -0.01064 176 17 H 1S 0.00000 0.00000 0.00000 0.00011 0.00012 177 2S 0.00023 0.00019 0.00011 0.00169 0.00167 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00006 0.00000 0.00020 0.00003 180 19 H 1S 0.00000 0.00000 0.00000 0.00004 0.00005 181 2S 0.00011 0.00015 0.00006 0.00041 0.00088 182 20 H 1S -0.00026 0.00000 -0.00029 -0.00231 -0.00206 183 2S -0.00585 -0.00011 -0.00246 -0.01153 -0.01243 184 21 H 1S 0.00105 0.09692 0.00070 0.04240 0.00025 185 2S 0.00024 0.06456 0.00049 0.02340 -0.00063 186 22 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 187 2S 0.00001 0.00010 0.00023 0.00004 0.00006 188 23 H 1S 0.00001 -0.00001 -0.00045 -0.00122 -0.00012 189 2S -0.00013 -0.00012 -0.00666 -0.00380 -0.00091 166 167 168 169 170 166 3PY 0.05321 167 3PZ 0.00000 0.09658 168 4XX 0.00000 0.00000 0.00149 169 4YY 0.00000 0.00000 -0.00017 0.00186 170 4ZZ 0.00000 0.00000 0.00002 -0.00024 0.00145 171 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 172 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 173 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 16 H 1S -0.00011 -0.00102 0.00002 -0.00001 0.00006 175 2S -0.00027 -0.00393 0.00015 -0.00035 0.00070 176 17 H 1S 0.00006 0.00007 0.00000 0.00000 0.00000 177 2S 0.00108 0.00063 0.00000 -0.00002 0.00000 178 18 H 1S -0.00003 0.00000 0.00000 0.00000 0.00000 179 2S -0.00016 0.00001 0.00000 0.00000 0.00000 180 19 H 1S -0.00005 0.00002 0.00000 0.00000 0.00000 181 2S -0.00025 -0.00009 0.00000 -0.00001 0.00001 182 20 H 1S 0.00009 0.00032 0.00003 0.00000 0.00001 183 2S -0.00013 0.00542 0.00057 -0.00014 -0.00023 184 21 H 1S 0.04296 0.00017 -0.00103 0.00754 -0.00119 185 2S 0.04178 -0.00010 -0.00176 0.00684 -0.00308 186 22 H 1S -0.00011 0.00024 0.00000 0.00000 0.00000 187 2S -0.00014 0.00192 0.00001 -0.00002 0.00000 188 23 H 1S 0.00015 -0.00578 0.00000 0.00000 0.00014 189 2S 0.00030 -0.01806 -0.00007 -0.00012 0.00070 171 172 173 174 175 171 4XY 0.00042 172 4XZ 0.00000 0.00069 173 4YZ 0.00000 0.00000 0.00065 174 16 H 1S 0.00000 0.00005 0.00000 0.21693 175 2S -0.00002 0.00009 -0.00002 0.11783 0.17164 176 17 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00093 177 2S 0.00000 0.00000 0.00000 -0.00093 -0.00553 178 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 179 2S 0.00000 0.00000 0.00000 0.00000 -0.00014 180 19 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 181 2S 0.00000 0.00000 0.00000 0.00000 0.00002 182 20 H 1S 0.00000 0.00008 0.00000 0.00000 0.00000 183 2S -0.00001 0.00030 -0.00002 0.00000 -0.00019 184 21 H 1S 0.00009 0.00001 0.00008 -0.00001 -0.00104 185 2S 0.00002 0.00000 0.00001 -0.00105 -0.00589 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 188 23 H 1S 0.00000 0.00002 0.00000 0.00000 0.00000 189 2S 0.00000 0.00008 -0.00003 0.00000 -0.00005 176 177 178 179 180 176 17 H 1S 0.21693 177 2S 0.11783 0.17164 178 18 H 1S -0.00001 -0.00104 0.21714 179 2S -0.00105 -0.00589 0.11577 0.16496 180 19 H 1S 0.00000 0.00000 -0.00001 -0.00027 0.21593 181 2S 0.00000 -0.00019 -0.00039 -0.00001 0.11187 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00003 183 2S 0.00000 0.00002 0.00000 -0.00015 -0.00165 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 -0.00014 0.00000 0.00000 0.00000 186 22 H 1S 0.00000 0.00000 0.00000 -0.00015 -0.00052 187 2S 0.00000 -0.00005 -0.00017 -0.00034 -0.00817 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 -0.00011 0.00038 181 182 183 184 185 181 2S 0.16628 182 20 H 1S -0.00165 0.21593 183 2S -0.00908 0.11187 0.16629 184 21 H 1S 0.00000 -0.00001 -0.00039 0.21714 185 2S -0.00015 -0.00027 -0.00001 0.11577 0.16496 186 22 H 1S -0.00841 0.00000 0.00041 0.00000 0.00000 187 2S -0.02546 0.00038 0.00361 0.00000 -0.00011 188 23 H 1S 0.00041 -0.00052 -0.00841 0.00000 -0.00015 189 2S 0.00361 -0.00818 -0.02546 -0.00017 -0.00034 186 187 188 189 186 22 H 1S 0.21529 187 2S 0.11394 0.15893 188 23 H 1S -0.00005 -0.00202 0.21529 189 2S -0.00202 -0.00835 0.11394 0.15893 Gross orbital populations: 1 1 1 C 1S 1.99219 2 2S 0.70394 3 2PX 0.59317 4 2PY 0.75708 5 2PZ 0.65431 6 3S 0.49498 7 3PX 0.25386 8 3PY 0.17399 9 3PZ 0.26763 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 O 1S 1.99234 17 2S 0.89932 18 2PX 0.93697 19 2PY 0.96358 20 2PZ 1.01234 21 3S 1.00625 22 3PX 0.52122 23 3PY 0.55961 24 3PZ 0.56877 25 4XX 0.00128 26 4YY -0.00122 27 4ZZ -0.00484 28 4XY 0.00765 29 4XZ 0.00371 30 4YZ 0.00696 31 3 C 1S 1.99193 32 2S 0.70992 33 2PX 0.73003 34 2PY 0.53059 35 2PZ 0.72491 36 3S 0.45533 37 3PX 0.24766 38 3PY 0.09849 39 3PZ 0.23699 40 4XX 0.01406 41 4YY 0.00335 42 4ZZ 0.01373 43 4XY 0.01768 44 4XZ 0.00681 45 4YZ 0.01937 46 4 C 1S 1.99219 47 2S 0.70394 48 2PX 0.59316 49 2PY 0.75710 50 2PZ 0.65429 51 3S 0.49498 52 3PX 0.25385 53 3PY 0.17400 54 3PZ 0.26763 55 4XX -0.00742 56 4YY 0.00527 57 4ZZ -0.00003 58 4XY 0.01112 59 4XZ 0.01091 60 4YZ 0.01425 61 5 H 1S 0.54161 62 2S 0.31784 63 6 H 1S 0.54013 64 2S 0.30933 65 7 O 1S 1.99234 66 2S 0.89932 67 2PX 0.93698 68 2PY 0.96356 69 2PZ 1.01236 70 3S 1.00625 71 3PX 0.52122 72 3PY 0.55959 73 3PZ 0.56879 74 4XX 0.00128 75 4YY -0.00122 76 4ZZ -0.00484 77 4XY 0.00765 78 4XZ 0.00371 79 4YZ 0.00696 80 8 H 1S 0.52971 81 2S 0.30213 82 9 H 1S 0.52970 83 2S 0.30213 84 10 C 1S 1.99191 85 2S 0.70501 86 2PX 0.64895 87 2PY 0.74796 88 2PZ 0.68315 89 3S 0.50002 90 3PX 0.32197 91 3PY 0.20202 92 3PZ 0.30110 93 4XX -0.01176 94 4YY 0.00154 95 4ZZ -0.00528 96 4XY 0.00869 97 4XZ 0.00540 98 4YZ 0.00997 99 11 C 1S 1.99191 100 2S 0.70501 101 2PX 0.64895 102 2PY 0.74795 103 2PZ 0.68316 104 3S 0.50002 105 3PX 0.32196 106 3PY 0.20204 107 3PZ 0.30109 108 4XX -0.01176 109 4YY 0.00155 110 4ZZ -0.00528 111 4XY 0.00869 112 4XZ 0.00540 113 4YZ 0.00997 114 12 C 1S 1.99262 115 2S 0.70383 116 2PX 0.61236 117 2PY 0.72535 118 2PZ 0.68244 119 3S 0.59620 120 3PX 0.32767 121 3PY 0.24311 122 3PZ 0.25795 123 4XX -0.01515 124 4YY 0.01157 125 4ZZ -0.00535 126 4XY 0.00395 127 4XZ 0.00662 128 4YZ 0.00631 129 13 C 1S 1.99220 130 2S 0.68132 131 2PX 0.72499 132 2PY 0.68460 133 2PZ 0.69614 134 3S 0.58935 135 3PX 0.33283 136 3PY 0.27009 137 3PZ 0.28728 138 4XX 0.00505 139 4YY -0.00217 140 4ZZ -0.00062 141 4XY 0.00716 142 4XZ 0.00969 143 4YZ 0.00762 144 14 C 1S 1.99220 145 2S 0.68132 146 2PX 0.72499 147 2PY 0.68460 148 2PZ 0.69614 149 3S 0.58935 150 3PX 0.33284 151 3PY 0.27010 152 3PZ 0.28727 153 4XX 0.00505 154 4YY -0.00217 155 4ZZ -0.00062 156 4XY 0.00716 157 4XZ 0.00968 158 4YZ 0.00762 159 15 C 1S 1.99262 160 2S 0.70383 161 2PX 0.61235 162 2PY 0.72536 163 2PZ 0.68244 164 3S 0.59618 165 3PX 0.32768 166 3PY 0.24310 167 3PZ 0.25796 168 4XX -0.01515 169 4YY 0.01157 170 4ZZ -0.00535 171 4XY 0.00395 172 4XZ 0.00662 173 4YZ 0.00631 174 16 H 1S 0.53307 175 2S 0.35110 176 17 H 1S 0.53307 177 2S 0.35110 178 18 H 1S 0.53359 179 2S 0.34361 180 19 H 1S 0.53199 181 2S 0.32148 182 20 H 1S 0.53199 183 2S 0.32146 184 21 H 1S 0.53359 185 2S 0.34361 186 22 H 1S 0.52953 187 2S 0.32409 188 23 H 1S 0.52953 189 2S 0.32410 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.923717 0.230651 -0.058174 0.490222 0.004888 0.003983 2 O 0.230651 8.190558 0.255653 -0.039178 -0.050947 -0.035469 3 C -0.058174 0.255653 4.669069 -0.058176 0.360619 0.366228 4 C 0.490222 -0.039178 -0.058176 4.923715 0.004888 0.003982 5 H 0.004888 -0.050947 0.360619 0.004888 0.665551 -0.072752 6 H 0.003983 -0.035469 0.366228 0.003982 -0.072752 0.618290 7 O -0.039177 -0.042486 0.255656 0.230647 -0.050949 -0.035470 8 H -0.042178 0.002500 0.005649 0.381034 -0.000394 0.000081 9 H 0.381031 -0.036732 0.005649 -0.042178 -0.000394 0.000081 10 C -0.016885 0.000580 -0.000126 -0.022831 -0.000062 0.000006 11 C -0.022839 0.000474 -0.000126 -0.016903 -0.000062 0.000006 12 C -0.006324 -0.000389 0.000260 0.109666 0.000715 -0.000074 13 C -0.014423 0.000321 -0.000448 -0.004126 0.000521 0.000066 14 C -0.004115 -0.004502 -0.000449 -0.014419 0.000523 0.000065 15 C 0.109649 -0.010794 0.000260 -0.006325 0.000715 -0.000074 16 H 0.000631 -0.000014 0.000000 -0.000074 0.000000 0.000000 17 H -0.000074 0.000001 0.000000 0.000631 0.000000 0.000000 18 H 0.001100 -0.000011 -0.000038 -0.008905 0.000009 0.000000 19 H 0.000554 0.000123 -0.000291 -0.010500 -0.001802 0.000259 20 H -0.010514 0.013086 -0.000292 0.000553 -0.001806 0.000259 21 H -0.008900 0.000523 -0.000038 0.001099 0.000009 0.000000 22 H 0.000341 -0.000028 -0.000014 0.002065 0.000088 -0.000002 23 H 0.002064 0.000029 -0.000014 0.000341 0.000088 -0.000002 7 8 9 10 11 12 1 C -0.039177 -0.042178 0.381031 -0.016885 -0.022839 -0.006324 2 O -0.042486 0.002500 -0.036732 0.000580 0.000474 -0.000389 3 C 0.255656 0.005649 0.005649 -0.000126 -0.000126 0.000260 4 C 0.230647 0.381034 -0.042178 -0.022831 -0.016903 0.109666 5 H -0.050949 -0.000394 -0.000394 -0.000062 -0.000062 0.000715 6 H -0.035470 0.000081 0.000081 0.000006 0.000006 -0.000074 7 O 8.190572 -0.036732 0.002500 0.000474 0.000580 -0.010799 8 H -0.036732 0.540700 -0.000192 0.002106 -0.004215 -0.018631 9 H 0.002500 -0.000192 0.540690 -0.004214 0.002107 0.001041 10 C 0.000474 0.002106 -0.004214 4.906197 0.509928 -0.043944 11 C 0.000580 -0.004215 0.002107 0.509928 4.906264 0.553402 12 C -0.010799 -0.018631 0.001041 -0.043944 0.553402 4.999289 13 C -0.004492 0.000462 0.000286 -0.031229 -0.023518 0.374473 14 C 0.000320 0.000286 0.000460 -0.023519 -0.031232 -0.033020 15 C -0.000388 0.001041 -0.018621 0.553435 -0.043943 -0.022711 16 H 0.000001 0.000020 0.000298 0.367130 -0.051752 0.006077 17 H -0.000014 0.000298 0.000020 -0.051750 0.367131 -0.052128 18 H 0.000524 -0.000381 -0.000034 0.007379 -0.042416 0.361914 19 H 0.013072 0.000522 -0.000050 0.001073 0.003494 -0.033811 20 H 0.000124 -0.000050 0.000523 0.003492 0.001074 0.001387 21 H -0.000011 -0.000034 -0.000379 -0.042415 0.007379 0.000137 22 H 0.000029 -0.000059 0.000003 0.001689 -0.005866 -0.039438 23 H -0.000028 0.000003 -0.000059 -0.005860 0.001687 0.002385 13 14 15 16 17 18 1 C -0.014423 -0.004115 0.109649 0.000631 -0.000074 0.001100 2 O 0.000321 -0.004502 -0.010794 -0.000014 0.000001 -0.000011 3 C -0.000448 -0.000449 0.000260 0.000000 0.000000 -0.000038 4 C -0.004126 -0.014419 -0.006325 -0.000074 0.000631 -0.008905 5 H 0.000521 0.000523 0.000715 0.000000 0.000000 0.000009 6 H 0.000066 0.000065 -0.000074 0.000000 0.000000 0.000000 7 O -0.004492 0.000320 -0.000388 0.000001 -0.000014 0.000524 8 H 0.000462 0.000286 0.001041 0.000020 0.000298 -0.000381 9 H 0.000286 0.000460 -0.018621 0.000298 0.000020 -0.000034 10 C -0.031229 -0.023519 0.553435 0.367130 -0.051750 0.007379 11 C -0.023518 -0.031232 -0.043943 -0.051752 0.367131 -0.042416 12 C 0.374473 -0.033020 -0.022711 0.006077 -0.052128 0.361914 13 C 5.060580 0.333679 -0.033027 -0.000156 0.005698 -0.051199 14 C 0.333679 5.060600 0.374478 0.005698 -0.000156 0.005215 15 C -0.033027 0.374478 4.999247 -0.052126 0.006077 0.000137 16 H -0.000156 0.005698 -0.052126 0.624219 -0.007408 -0.000145 17 H 0.005698 -0.000156 0.006077 -0.007408 0.624218 -0.007994 18 H -0.051199 0.005215 0.000137 -0.000145 -0.007994 0.613631 19 H 0.352751 -0.027677 0.001390 0.000017 -0.000199 -0.000667 20 H -0.027675 0.352741 -0.033821 -0.000199 0.000017 -0.000156 21 H 0.005215 -0.051200 0.361913 -0.007995 -0.000145 -0.000004 22 H 0.375820 -0.034060 0.002383 -0.000001 -0.000050 -0.000655 23 H -0.034061 0.375818 -0.039430 -0.000050 -0.000001 -0.000112 19 20 21 22 23 1 C 0.000554 -0.010514 -0.008900 0.000341 0.002064 2 O 0.000123 0.013086 0.000523 -0.000028 0.000029 3 C -0.000291 -0.000292 -0.000038 -0.000014 -0.000014 4 C -0.010500 0.000553 0.001099 0.002065 0.000341 5 H -0.001802 -0.001806 0.000009 0.000088 0.000088 6 H 0.000259 0.000259 0.000000 -0.000002 -0.000002 7 O 0.013072 0.000124 -0.000011 0.000029 -0.000028 8 H 0.000522 -0.000050 -0.000034 -0.000059 0.000003 9 H -0.000050 0.000523 -0.000379 0.000003 -0.000059 10 C 0.001073 0.003492 -0.042415 0.001689 -0.005860 11 C 0.003494 0.001074 0.007379 -0.005866 0.001687 12 C -0.033811 0.001387 0.000137 -0.039438 0.002385 13 C 0.352751 -0.027675 0.005215 0.375820 -0.034061 14 C -0.027677 0.352741 -0.051200 -0.034060 0.375818 15 C 0.001390 -0.033821 0.361913 0.002383 -0.039430 16 H 0.000017 -0.000199 -0.007995 -0.000001 -0.000050 17 H -0.000199 0.000017 -0.000145 -0.000050 -0.000001 18 H -0.000667 -0.000156 -0.000004 -0.000655 -0.000112 19 H 0.605942 -0.012412 -0.000156 -0.042566 0.004404 20 H -0.012412 0.605954 -0.000665 0.004406 -0.042571 21 H -0.000156 -0.000665 0.613634 -0.000112 -0.000657 22 H -0.042566 0.004406 -0.000112 0.602093 -0.012447 23 H 0.004404 -0.042571 -0.000657 -0.012447 0.602096 Mulliken charges: 1 1 C 0.074773 2 O -0.473950 3 C 0.199144 4 C 0.074772 5 H 0.140552 6 H 0.150537 7 O -0.473953 8 H 0.168165 9 H 0.168163 10 C -0.110654 11 C -0.110652 12 C -0.149478 13 C -0.285517 14 C -0.285534 15 C -0.149464 16 H 0.115828 17 H 0.115826 18 H 0.122809 19 H 0.146531 20 H 0.146545 21 H 0.122802 22 H 0.146382 23 H 0.146375 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.242937 2 O -0.473950 3 C 0.490232 4 C 0.242937 7 O -0.473953 10 C 0.005174 11 C 0.005174 12 C -0.026670 13 C 0.007397 14 C 0.007386 15 C -0.026663 APT charges: 1 1 C 0.345745 2 O -0.678530 3 C 0.788421 4 C 0.345728 5 H -0.070690 6 H -0.078336 7 O -0.678474 8 H 0.008168 9 H 0.008172 10 C -0.099144 11 C -0.099232 12 C 0.123537 13 C 0.068950 14 C 0.068938 15 C 0.123491 16 H 0.001911 17 H 0.001912 18 H -0.027086 19 H -0.021304 20 H -0.021292 21 H -0.027094 22 H -0.041897 23 H -0.041896 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 C 0.353917 2 O -0.678530 3 C 0.639395 4 C 0.353897 7 O -0.678474 10 C -0.097233 11 C -0.097320 12 C 0.096452 13 C 0.005749 14 C 0.005750 15 C 0.096397 Electronic spatial extent (au): = 1462.8673 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.2910 Y= 0.0001 Z= -0.2503 Tot= 0.3839 Quadrupole moment (field-independent basis, Debye-Ang): XX= -66.0621 YY= -66.2573 ZZ= -61.0980 XY= 0.0001 XZ= 2.5925 YZ= -0.0006 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -1.5896 YY= -1.7849 ZZ= 3.3745 XY= 0.0001 XZ= 2.5925 YZ= -0.0006 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 35.3309 YYY= 0.0013 ZZZ= -4.5902 XYY= -4.5857 XXY= -0.0012 XXZ= 2.3237 XZZ= 4.2927 YZZ= -0.0003 YYZ= -4.6298 XYZ= -0.0009 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1027.3337 YYYY= -454.0202 ZZZZ= -400.8117 XXXY= -0.0008 XXXZ= 25.2469 YYYX= 0.0021 YYYZ= -0.0011 ZZZX= -1.4228 ZZZY= 0.0019 XXYY= -270.3037 XXZZ= -230.4583 YYZZ= -137.0172 XXYZ= -0.0019 YYXZ= 2.4753 ZZXY= 0.0008 N-N= 6.505346514866D+02 E-N=-2.466037804118D+03 KE= 4.958567399829D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.176836 29.026217 2 O -19.176831 29.026286 3 O -10.292296 15.888379 4 O -10.238598 15.880970 5 O -10.238017 15.892084 6 O -10.186436 15.890005 7 O -10.186414 15.884509 8 O -10.180370 15.882765 9 O -10.180194 15.889177 10 O -10.169364 15.876087 11 O -10.168862 15.885789 12 O -1.107171 2.296507 13 O -1.013195 2.785728 14 O -0.829084 1.400528 15 O -0.765909 1.721684 16 O -0.733696 1.473755 17 O -0.728678 1.513930 18 O -0.643757 1.895237 19 O -0.614530 1.756538 20 O -0.603989 1.457203 21 O -0.584676 1.408521 22 O -0.532375 1.336078 23 O -0.511541 1.178826 24 O -0.494177 0.996030 25 O -0.470196 1.352491 26 O -0.446711 1.573916 27 O -0.443553 1.143009 28 O -0.441044 1.573776 29 O -0.405580 1.357447 30 O -0.397903 1.212974 31 O -0.389635 1.719115 32 O -0.384147 1.292313 33 O -0.373291 1.575179 34 O -0.355257 2.366518 35 O -0.348819 1.413673 36 O -0.328580 1.796951 37 O -0.319425 1.470145 38 O -0.317079 1.391307 39 O -0.286259 1.368460 40 O -0.198006 1.279521 41 O -0.185597 1.798742 42 V -0.006986 1.479528 43 V 0.010188 1.673713 44 V 0.083786 0.940078 45 V 0.112325 0.984509 46 V 0.119134 1.770345 47 V 0.122467 1.842683 48 V 0.123157 0.999988 49 V 0.135170 1.073435 50 V 0.144243 1.535419 51 V 0.145257 1.041202 52 V 0.163942 1.653372 53 V 0.171442 1.388378 54 V 0.177647 1.367805 55 V 0.192701 1.270981 56 V 0.197772 2.353379 57 V 0.203001 1.219662 58 V 0.228886 1.314378 59 V 0.236117 1.143582 60 V 0.242721 1.412668 61 V 0.249115 1.439825 62 V 0.304389 1.683473 63 V 0.313625 1.479592 64 V 0.326617 1.752299 65 V 0.370134 2.525643 66 V 0.432158 1.929583 67 V 0.473980 1.814295 68 V 0.477972 1.842658 69 V 0.491401 1.616040 70 V 0.508307 2.036381 71 V 0.523167 2.095524 72 V 0.546532 2.522561 73 V 0.547872 1.755758 74 V 0.548668 2.108109 75 V 0.568906 2.371576 76 V 0.579344 2.171918 77 V 0.607434 2.323823 78 V 0.613354 1.950980 79 V 0.618226 1.942448 80 V 0.636305 2.358905 81 V 0.663090 2.521670 82 V 0.678634 2.532042 83 V 0.712831 2.399498 84 V 0.722927 2.418489 85 V 0.740942 2.512551 86 V 0.751900 2.579571 87 V 0.775363 2.174631 88 V 0.795747 2.393706 89 V 0.798773 2.614823 90 V 0.810709 2.533002 91 V 0.828473 2.500809 92 V 0.842109 2.285806 93 V 0.854432 2.766061 94 V 0.864505 2.706409 95 V 0.880606 2.597072 96 V 0.884448 2.489257 97 V 0.885197 2.710950 98 V 0.887089 2.868315 99 V 0.898056 2.577240 100 V 0.913854 2.700557 101 V 0.937166 2.656040 102 V 0.940303 2.589411 103 V 0.951235 2.714935 104 V 1.007936 2.256277 105 V 1.014391 2.336356 106 V 1.022949 2.836207 107 V 1.027249 2.464878 108 V 1.092088 3.076119 109 V 1.099205 2.654200 110 V 1.114141 2.823566 111 V 1.149206 2.616010 112 V 1.151873 2.999896 113 V 1.189463 2.470871 114 V 1.204054 2.548156 115 V 1.251269 2.394758 116 V 1.264388 2.522642 117 V 1.367263 2.620161 118 V 1.370459 2.851766 119 V 1.398333 2.557558 120 V 1.427041 2.655133 121 V 1.432162 2.569739 122 V 1.438599 2.643848 123 V 1.475739 2.604534 124 V 1.492042 2.727373 125 V 1.526426 2.731802 126 V 1.585295 2.729113 127 V 1.639988 2.848134 128 V 1.661093 2.867847 129 V 1.720443 2.847312 130 V 1.723417 2.956478 131 V 1.758449 2.890034 132 V 1.770892 3.084049 133 V 1.794190 3.089684 134 V 1.860007 3.080341 135 V 1.877782 3.223054 136 V 1.885342 3.369065 137 V 1.908421 3.243950 138 V 1.935619 3.247705 139 V 1.958247 3.419423 140 V 1.976522 3.549610 141 V 1.978381 3.699077 142 V 1.981015 3.552001 143 V 2.000535 3.502419 144 V 2.019367 3.666478 145 V 2.041607 3.521299 146 V 2.088900 3.490912 147 V 2.120237 3.689761 148 V 2.140826 3.517949 149 V 2.160192 3.640550 150 V 2.230129 3.505997 151 V 2.254876 3.549650 152 V 2.262026 3.557635 153 V 2.279912 3.600189 154 V 2.291933 3.680229 155 V 2.309613 3.817486 156 V 2.318550 3.601919 157 V 2.371170 3.779160 158 V 2.401508 3.844966 159 V 2.434358 3.875081 160 V 2.448088 3.771406 161 V 2.451442 3.854181 162 V 2.484078 3.927509 163 V 2.522247 3.909235 164 V 2.545380 4.007359 165 V 2.598900 4.362538 166 V 2.627405 4.427868 167 V 2.645181 4.262202 168 V 2.675687 4.223223 169 V 2.692959 4.304453 170 V 2.694419 4.369061 171 V 2.736158 4.291617 172 V 2.765920 4.303033 173 V 2.803897 4.577674 174 V 2.866864 4.485887 175 V 2.879953 4.651923 176 V 2.944565 4.768119 177 V 3.105761 4.916556 178 V 3.131190 4.838728 179 V 4.006224 10.862471 180 V 4.105776 10.794560 181 V 4.127667 10.147715 182 V 4.252022 10.394609 183 V 4.268090 10.250238 184 V 4.362068 10.479360 185 V 4.370178 10.258845 186 V 4.448583 10.340596 187 V 4.489349 10.367748 188 V 4.649655 10.705344 189 V 4.874519 11.552615 Total kinetic energy from orbitals= 4.958567399829D+02 Exact polarizability: 121.186 0.000 96.577 6.401 0.000 86.090 Approx polarizability: 204.011 -0.004 180.117 8.211 0.002 127.240 Calling FoFJK, ICntrl= 100127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. Full mass-weighted force constant matrix: Low frequencies --- -528.8170 -6.6227 -0.0010 -0.0009 -0.0004 1.1371 Low frequencies --- 12.4706 98.5323 123.3493 ****** 1 imaginary frequencies (negative Signs) ****** Diagonal vibrational polarizability: 22.5965530 5.1133224 9.0042692 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering activities (A**4/AMU), depolarization ratios for plane and unpolarized incident light, reduced masses (AMU), force constants (mDyne/A), and normal coordinates: 1 2 3 A A A Frequencies -- -528.8169 98.5276 123.3458 Red. masses -- 6.9481 4.2689 2.4726 Frc consts -- 1.1448 0.0244 0.0222 IR Inten -- 0.4122 0.0098 10.1083 Atom AN X Y Z X Y Z X Y Z 1 6 0.28 0.10 -0.20 0.05 -0.06 0.06 0.00 0.00 0.02 2 8 0.03 -0.02 0.03 0.03 0.08 0.15 -0.09 -0.01 0.13 3 6 0.04 0.00 0.01 0.00 0.18 0.00 0.18 0.00 -0.15 4 6 0.28 -0.10 -0.20 -0.05 -0.06 -0.06 0.00 0.00 0.02 5 1 0.04 0.00 0.01 0.00 0.30 0.00 0.67 0.00 -0.06 6 1 0.04 0.00 0.01 0.00 0.18 0.00 0.11 0.00 -0.63 7 8 0.03 0.02 0.03 -0.03 0.08 -0.15 -0.09 0.01 0.13 8 1 -0.23 0.15 0.19 -0.07 -0.18 -0.15 0.04 0.00 0.01 9 1 -0.23 -0.15 0.19 0.07 -0.18 0.15 0.04 0.00 0.01 10 6 -0.01 -0.06 0.03 -0.08 0.09 -0.02 -0.02 0.00 -0.02 11 6 -0.01 0.06 0.03 0.08 0.09 0.02 -0.02 0.00 -0.02 12 6 -0.33 0.08 0.14 0.19 -0.06 0.01 -0.01 0.00 -0.03 13 6 0.00 0.00 -0.02 0.07 -0.15 0.02 0.03 0.00 -0.04 14 6 0.00 0.00 -0.02 -0.07 -0.15 -0.02 0.03 0.00 -0.04 15 6 -0.33 -0.08 0.14 -0.19 -0.06 -0.01 -0.01 0.00 -0.03 16 1 0.16 0.01 -0.14 -0.14 0.17 -0.03 -0.03 0.00 -0.01 17 1 0.16 -0.01 -0.14 0.14 0.17 0.03 -0.03 0.00 -0.01 18 1 -0.16 0.06 0.05 0.31 -0.06 0.07 -0.01 0.00 -0.03 19 1 0.03 0.01 -0.14 0.09 -0.24 0.08 0.04 -0.01 -0.08 20 1 0.03 -0.01 -0.14 -0.09 -0.24 -0.08 0.04 0.01 -0.08 21 1 -0.16 -0.06 0.05 -0.31 -0.06 -0.07 -0.02 0.00 -0.03 22 1 0.11 -0.02 0.10 0.07 -0.10 -0.02 0.06 0.01 -0.02 23 1 0.11 0.02 0.10 -0.07 -0.10 0.02 0.06 -0.01 -0.02 4 5 6 A A A Frequencies -- 135.1428 173.0627 200.1019 Red. masses -- 4.5152 4.0359 1.8497 Frc consts -- 0.0486 0.0712 0.0436 IR Inten -- 0.0262 0.4421 0.0462 Atom AN X Y Z X Y Z X Y Z 1 6 -0.06 -0.07 0.09 0.02 0.00 -0.09 -0.01 -0.02 0.00 2 8 -0.08 -0.02 0.18 -0.12 0.00 0.09 -0.04 -0.01 0.05 3 6 0.00 0.02 0.00 -0.19 0.00 0.16 0.00 0.00 0.00 4 6 0.06 -0.07 -0.09 0.02 0.00 -0.09 0.01 -0.02 0.00 5 1 0.00 0.21 0.00 -0.30 0.00 0.13 0.00 0.05 0.00 6 1 0.00 -0.06 0.00 -0.17 0.00 0.27 0.00 -0.05 0.00 7 8 0.08 -0.02 -0.18 -0.12 0.00 0.09 0.04 -0.01 -0.05 8 1 -0.09 -0.09 -0.06 0.09 0.01 -0.10 0.00 -0.03 -0.01 9 1 0.09 -0.09 0.06 0.09 -0.01 -0.10 0.00 -0.03 0.01 10 6 0.08 0.02 -0.08 -0.05 0.00 0.06 -0.02 0.03 0.02 11 6 -0.08 0.02 0.08 -0.05 0.00 0.06 0.02 0.03 -0.02 12 6 -0.21 0.07 0.16 0.04 0.00 -0.06 0.00 0.02 0.01 13 6 0.03 -0.01 0.05 0.21 0.00 -0.11 -0.16 -0.01 0.05 14 6 -0.03 -0.01 -0.05 0.21 0.00 -0.11 0.16 -0.01 -0.05 15 6 0.21 0.07 -0.16 0.04 0.00 -0.06 0.00 0.02 -0.01 16 1 0.16 0.05 -0.15 -0.15 0.00 0.13 -0.06 0.02 0.06 17 1 -0.16 0.05 0.15 -0.15 0.00 0.13 0.06 0.02 -0.06 18 1 -0.28 0.08 0.22 0.04 0.00 -0.07 0.03 0.01 0.02 19 1 0.10 -0.05 -0.13 0.24 0.02 -0.23 -0.31 0.16 0.31 20 1 -0.10 -0.05 0.13 0.24 -0.02 -0.23 0.31 0.16 -0.31 21 1 0.28 0.08 -0.22 0.04 0.00 -0.07 -0.03 0.01 -0.02 22 1 0.20 -0.04 0.23 0.30 -0.01 -0.02 -0.42 -0.21 -0.10 23 1 -0.20 -0.04 -0.23 0.30 0.01 -0.02 0.42 -0.21 0.10 7 8 9 A A A Frequencies -- 244.2570 278.3717 369.6625 Red. masses -- 6.9576 4.5427 3.0234 Frc consts -- 0.2446 0.2074 0.2434 IR Inten -- 0.3912 0.2551 0.6308 Atom AN X Y Z X Y Z X Y Z 1 6 0.12 -0.25 0.00 0.05 -0.01 0.12 0.12 0.00 -0.16 2 8 0.31 -0.06 -0.10 0.17 0.01 -0.01 -0.03 -0.01 0.03 3 6 0.00 0.05 0.00 0.13 0.00 0.05 0.00 0.00 -0.01 4 6 -0.12 -0.25 0.00 0.05 0.01 0.12 0.12 0.00 -0.16 5 1 0.00 -0.08 0.00 0.04 0.00 0.04 0.05 0.00 0.00 6 1 0.00 0.35 0.00 0.14 0.00 0.13 -0.01 0.00 -0.07 7 8 -0.31 -0.06 0.10 0.17 -0.01 -0.01 -0.03 0.01 0.03 8 1 -0.22 -0.31 -0.01 0.08 -0.03 0.07 0.18 0.01 -0.17 9 1 0.22 -0.31 0.01 0.08 0.03 0.07 0.18 -0.01 -0.17 10 6 0.02 0.12 -0.03 -0.25 0.00 0.08 -0.04 0.00 0.12 11 6 -0.02 0.12 0.03 -0.25 0.00 0.08 -0.04 0.00 0.12 12 6 -0.06 0.10 0.08 -0.05 -0.01 -0.10 0.12 -0.01 -0.04 13 6 -0.04 0.08 0.05 0.00 0.00 -0.11 -0.13 0.00 0.04 14 6 0.04 0.08 -0.05 0.00 0.00 -0.11 -0.13 0.00 0.04 15 6 0.06 0.10 -0.08 -0.05 0.01 -0.10 0.12 0.01 -0.04 16 1 0.02 0.14 -0.05 -0.46 0.00 0.23 -0.15 0.02 0.18 17 1 -0.02 0.14 0.05 -0.46 0.00 0.23 -0.15 -0.02 0.18 18 1 0.00 0.09 0.06 -0.08 -0.01 -0.12 0.20 -0.03 -0.08 19 1 -0.05 0.10 0.06 0.01 0.00 -0.14 -0.19 -0.01 0.28 20 1 0.05 0.10 -0.06 0.01 0.00 -0.14 -0.19 0.01 0.28 21 1 0.00 0.09 -0.06 -0.08 0.01 -0.12 0.20 0.03 -0.08 22 1 -0.05 0.00 0.07 0.02 -0.01 -0.09 -0.32 0.00 -0.15 23 1 0.05 0.00 -0.07 0.02 0.01 -0.09 -0.32 0.00 -0.15 10 11 12 A A A Frequencies -- 507.8237 539.4780 592.9148 Red. masses -- 4.7175 4.0281 3.8952 Frc consts -- 0.7168 0.6907 0.8068 IR Inten -- 6.5668 0.8388 0.0385 Atom AN X Y Z X Y Z X Y Z 1 6 -0.20 0.00 0.17 0.00 0.00 0.03 0.19 0.00 -0.18 2 8 0.06 0.03 -0.06 0.01 -0.01 -0.01 -0.05 -0.03 0.06 3 6 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.01 0.00 4 6 0.20 0.00 -0.17 0.00 0.00 -0.03 -0.19 0.00 0.18 5 1 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.01 0.00 6 1 0.00 0.05 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 7 8 -0.06 0.03 0.06 -0.01 -0.01 0.01 0.05 -0.03 -0.06 8 1 0.13 0.03 -0.12 0.10 -0.05 -0.11 -0.24 0.04 0.23 9 1 -0.13 0.03 0.12 -0.10 -0.05 0.11 0.24 0.04 -0.23 10 6 -0.14 0.04 0.20 0.21 0.14 0.00 -0.04 0.06 0.16 11 6 0.14 0.04 -0.20 -0.21 0.14 0.00 0.04 0.06 -0.16 12 6 -0.11 0.05 0.02 -0.02 0.03 -0.14 -0.11 0.03 -0.01 13 6 -0.02 -0.11 -0.05 -0.03 -0.15 -0.16 -0.01 -0.06 -0.04 14 6 0.02 -0.11 0.05 0.03 -0.15 0.16 0.01 -0.06 0.04 15 6 0.11 0.05 -0.02 0.02 0.03 0.14 0.10 0.04 0.01 16 1 -0.31 -0.03 0.37 0.45 0.05 -0.11 -0.18 -0.04 0.33 17 1 0.31 -0.03 -0.37 -0.45 0.05 0.11 0.18 -0.04 -0.33 18 1 0.03 0.03 0.06 0.01 0.05 0.10 0.05 0.02 0.02 19 1 0.02 -0.10 -0.17 -0.08 -0.09 -0.12 0.05 -0.08 -0.25 20 1 -0.02 -0.10 0.17 0.08 -0.09 0.12 -0.05 -0.08 0.25 21 1 -0.03 0.03 -0.06 -0.01 0.05 -0.10 -0.05 0.02 -0.02 22 1 0.10 -0.10 0.06 -0.09 -0.09 -0.25 0.17 -0.03 0.11 23 1 -0.10 -0.10 -0.06 0.09 -0.09 0.25 -0.17 -0.03 -0.11 13 14 15 A A A Frequencies -- 595.6408 707.3978 745.7564 Red. masses -- 5.4318 1.2350 5.6443 Frc consts -- 1.1354 0.3641 1.8495 IR Inten -- 0.8944 31.5966 1.8725 Atom AN X Y Z X Y Z X Y Z 1 6 -0.05 0.02 0.07 -0.01 -0.02 -0.03 -0.09 0.02 -0.09 2 8 -0.01 0.00 -0.01 0.01 0.04 0.00 0.00 0.36 0.00 3 6 -0.01 0.00 -0.01 0.02 0.00 0.01 0.13 0.00 0.13 4 6 -0.05 -0.02 0.07 -0.01 0.02 -0.03 -0.09 -0.02 -0.09 5 1 -0.02 0.00 -0.01 0.03 0.00 0.02 0.26 0.00 0.18 6 1 -0.01 0.00 -0.01 0.02 0.00 0.01 0.15 0.00 0.10 7 8 -0.01 0.00 -0.01 0.01 -0.04 0.00 0.00 -0.36 0.00 8 1 -0.20 0.00 0.14 0.26 -0.06 -0.19 0.14 0.22 0.04 9 1 -0.20 0.00 0.14 0.26 0.06 -0.19 0.14 -0.22 0.04 10 6 0.14 -0.03 0.17 0.04 0.02 -0.04 -0.03 -0.01 0.04 11 6 0.14 0.03 0.17 0.04 -0.02 -0.04 -0.03 0.01 0.04 12 6 0.02 0.31 -0.02 -0.01 0.05 0.01 -0.01 0.01 0.01 13 6 -0.05 0.05 -0.20 0.00 0.00 0.02 -0.02 0.01 0.00 14 6 -0.05 -0.05 -0.20 0.00 0.00 0.02 -0.02 -0.01 0.00 15 6 0.02 -0.31 -0.02 -0.01 -0.05 0.01 -0.01 -0.01 0.01 16 1 0.03 0.21 0.08 -0.31 -0.03 0.24 0.27 0.07 -0.22 17 1 0.03 -0.21 0.08 -0.31 0.03 0.24 0.27 -0.07 -0.22 18 1 0.04 0.30 -0.09 -0.39 0.11 0.24 0.20 -0.02 -0.13 19 1 -0.09 -0.04 0.04 0.00 -0.02 0.02 0.03 -0.04 -0.07 20 1 -0.09 0.04 0.04 0.00 0.02 0.02 0.03 0.04 -0.07 21 1 0.04 -0.30 -0.09 -0.39 -0.11 0.24 0.20 0.02 -0.13 22 1 -0.14 -0.11 -0.20 0.01 0.01 0.02 0.05 0.04 0.05 23 1 -0.14 0.11 -0.20 0.01 -0.01 0.02 0.05 -0.04 0.05 16 17 18 A A A Frequencies -- 782.8986 811.9940 834.9245 Red. masses -- 1.2027 1.8122 1.4812 Frc consts -- 0.4343 0.7040 0.6084 IR Inten -- 8.7272 0.0033 19.2688 Atom AN X Y Z X Y Z X Y Z 1 6 -0.01 -0.02 0.00 -0.08 -0.07 -0.02 0.08 0.06 0.05 2 8 0.01 -0.03 0.00 -0.04 0.05 -0.03 0.00 -0.01 -0.01 3 6 0.00 0.00 -0.01 0.00 0.03 0.00 0.00 -0.03 0.00 4 6 -0.01 0.02 0.00 0.08 -0.07 0.02 -0.08 0.06 -0.05 5 1 -0.02 0.00 -0.01 0.00 0.01 0.00 0.00 -0.06 0.00 6 1 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 -0.08 0.00 7 8 0.01 0.03 0.00 0.04 0.05 0.03 0.00 -0.01 0.01 8 1 0.36 -0.21 -0.32 -0.18 0.05 0.21 0.36 -0.21 -0.42 9 1 0.37 0.21 -0.32 0.18 0.05 -0.21 -0.36 -0.21 0.42 10 6 -0.03 0.00 0.03 0.10 0.04 -0.02 0.06 0.01 0.00 11 6 -0.03 0.00 0.03 -0.10 0.04 0.02 -0.06 0.01 0.00 12 6 -0.02 0.05 0.00 -0.02 -0.06 0.01 -0.02 -0.02 0.01 13 6 -0.03 0.03 0.02 -0.03 0.02 0.03 -0.02 0.01 0.06 14 6 -0.03 -0.03 0.02 0.03 0.02 -0.03 0.02 0.01 -0.06 15 6 -0.02 -0.05 0.00 0.02 -0.06 -0.01 0.02 -0.02 -0.01 16 1 0.22 0.09 -0.21 -0.15 0.00 0.17 -0.14 -0.04 0.18 17 1 0.22 -0.09 -0.21 0.15 0.00 -0.17 0.14 -0.04 -0.18 18 1 0.06 0.03 -0.08 0.47 -0.14 -0.25 0.17 -0.05 -0.10 19 1 0.07 -0.09 -0.16 0.00 0.04 -0.10 0.03 -0.02 -0.05 20 1 0.07 0.09 -0.16 0.00 0.04 0.10 -0.03 -0.01 0.05 21 1 0.06 -0.03 -0.08 -0.47 -0.14 0.25 -0.17 -0.05 0.10 22 1 0.15 0.12 0.15 0.06 0.03 0.11 0.07 -0.02 0.15 23 1 0.15 -0.12 0.15 -0.06 0.03 -0.11 -0.07 -0.02 -0.15 19 20 21 A A A Frequencies -- 840.1798 855.6483 875.8256 Red. masses -- 2.2467 1.4308 3.2615 Frc consts -- 0.9344 0.6172 1.4740 IR Inten -- 0.0201 0.2014 20.3601 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.01 -0.01 -0.01 0.01 0.00 0.17 0.08 2 8 0.00 0.01 0.00 0.00 0.00 0.00 0.13 -0.11 0.11 3 6 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 -0.12 0.00 4 6 0.00 0.00 0.01 -0.01 0.01 0.01 0.00 0.17 -0.08 5 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 6 1 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.16 0.00 7 8 0.00 -0.01 0.00 0.00 0.00 0.00 -0.13 -0.11 -0.11 8 1 0.04 -0.04 -0.03 0.18 -0.12 -0.16 -0.35 0.38 0.20 9 1 0.04 0.04 -0.03 0.18 0.12 -0.16 0.35 0.38 -0.20 10 6 -0.05 -0.01 -0.05 -0.01 0.01 0.04 0.04 0.02 -0.03 11 6 -0.05 0.01 -0.05 -0.02 -0.01 0.04 -0.04 0.02 0.03 12 6 -0.03 0.08 -0.05 -0.02 -0.05 0.05 0.00 -0.04 0.01 13 6 0.11 0.14 0.10 0.05 -0.06 -0.08 -0.02 0.01 -0.01 14 6 0.11 -0.14 0.10 0.05 0.06 -0.08 0.02 0.01 0.01 15 6 -0.03 -0.08 -0.05 -0.02 0.05 0.05 0.00 -0.04 -0.01 16 1 -0.03 0.02 -0.09 0.26 -0.01 -0.14 -0.13 0.01 0.10 17 1 -0.03 -0.02 -0.09 0.26 0.01 -0.14 0.13 0.01 -0.10 18 1 -0.01 0.07 -0.24 -0.14 -0.03 0.18 0.21 -0.07 -0.09 19 1 -0.08 0.41 0.35 -0.13 0.18 0.17 -0.01 0.04 -0.05 20 1 -0.08 -0.41 0.35 -0.13 -0.18 0.17 0.01 0.04 0.05 21 1 -0.01 -0.07 -0.24 -0.14 0.03 0.18 -0.21 -0.07 0.09 22 1 -0.21 -0.15 -0.06 -0.22 -0.31 -0.21 0.00 0.03 0.00 23 1 -0.21 0.15 -0.06 -0.22 0.31 -0.21 0.00 0.03 0.00 22 23 24 A A A Frequencies -- 924.8032 948.6829 961.8731 Red. masses -- 2.2214 3.1664 1.2944 Frc consts -- 1.1194 1.6790 0.7056 IR Inten -- 0.6116 48.4203 1.5855 Atom AN X Y Z X Y Z X Y Z 1 6 -0.03 0.00 -0.01 -0.04 0.01 -0.03 0.00 -0.03 -0.03 2 8 0.01 -0.04 0.01 -0.03 -0.16 -0.03 0.01 -0.02 0.01 3 6 0.00 0.06 0.00 0.00 0.32 0.00 0.01 0.00 0.01 4 6 0.03 0.00 0.01 0.04 0.01 0.03 0.00 0.03 -0.03 5 1 0.00 0.05 0.00 0.00 0.19 0.00 0.02 0.00 0.01 6 1 0.00 0.12 0.00 0.00 0.47 0.00 0.00 0.00 0.00 7 8 -0.01 -0.04 -0.01 0.03 -0.16 0.03 0.01 0.02 0.01 8 1 -0.01 0.10 0.11 0.39 0.20 0.06 -0.12 0.20 0.15 9 1 0.01 0.10 -0.11 -0.39 0.20 -0.06 -0.12 -0.20 0.15 10 6 0.04 -0.04 0.04 0.02 0.01 -0.04 -0.03 0.03 0.04 11 6 -0.04 -0.04 -0.04 -0.02 0.01 0.04 -0.03 -0.03 0.04 12 6 0.02 0.12 -0.09 0.00 -0.03 0.02 0.05 -0.01 -0.06 13 6 0.05 -0.04 0.14 -0.01 0.01 -0.04 0.00 0.04 0.02 14 6 -0.05 -0.04 -0.14 0.01 0.01 0.04 0.00 -0.04 0.02 15 6 -0.02 0.12 0.09 0.00 -0.03 -0.02 0.05 0.01 -0.06 16 1 0.22 -0.24 0.07 -0.22 0.03 0.11 0.24 0.10 -0.20 17 1 -0.22 -0.24 -0.07 0.22 0.03 -0.11 0.24 -0.10 -0.20 18 1 0.05 0.11 -0.26 -0.06 -0.02 0.08 -0.50 0.07 0.15 19 1 0.09 -0.24 0.28 -0.02 0.06 -0.06 0.03 -0.01 -0.01 20 1 -0.09 -0.24 -0.28 0.02 0.06 0.06 0.03 0.01 -0.01 21 1 -0.05 0.11 0.25 0.05 -0.02 -0.08 -0.50 -0.07 0.15 22 1 0.05 -0.20 0.21 0.00 0.05 -0.05 0.02 0.15 -0.02 23 1 -0.05 -0.20 -0.21 0.00 0.05 0.05 0.02 -0.15 -0.02 25 26 27 A A A Frequencies -- 962.4957 1007.0795 1012.0955 Red. masses -- 1.7863 5.4125 1.7600 Frc consts -- 0.9750 3.2342 1.0622 IR Inten -- 12.9713 19.6785 7.3887 Atom AN X Y Z X Y Z X Y Z 1 6 -0.01 0.01 0.01 -0.21 -0.06 -0.18 -0.02 -0.02 0.01 2 8 0.00 -0.02 0.00 0.05 -0.16 0.02 0.01 0.01 0.00 3 6 0.00 0.03 0.00 0.27 0.00 0.27 0.00 -0.02 0.00 4 6 0.01 0.01 -0.01 -0.21 0.06 -0.18 0.02 -0.02 -0.01 5 1 0.00 0.03 0.00 0.26 0.00 0.27 0.00 0.00 0.00 6 1 0.00 0.06 0.00 0.27 0.00 0.26 0.00 -0.02 0.00 7 8 0.00 -0.02 0.00 0.05 0.17 0.02 -0.01 0.01 0.00 8 1 0.07 0.04 -0.01 -0.15 0.24 -0.08 -0.08 0.01 0.05 9 1 -0.07 0.04 0.01 -0.15 -0.24 -0.08 0.08 0.01 -0.05 10 6 -0.03 0.04 0.12 0.00 -0.01 -0.03 0.08 0.06 0.05 11 6 0.03 0.04 -0.12 0.00 0.01 -0.03 -0.08 0.06 -0.05 12 6 -0.01 -0.10 0.02 -0.02 0.03 0.04 0.05 -0.09 -0.04 13 6 -0.02 0.04 0.06 0.01 -0.02 -0.01 0.02 0.03 0.08 14 6 0.02 0.04 -0.06 0.01 0.02 -0.01 -0.02 0.03 -0.08 15 6 0.01 -0.10 -0.02 -0.02 -0.03 0.04 -0.05 -0.09 0.04 16 1 0.51 0.13 -0.33 -0.09 -0.01 0.04 -0.15 -0.02 0.27 17 1 -0.51 0.13 0.33 -0.09 0.01 0.04 0.15 -0.02 -0.27 18 1 0.13 -0.11 0.01 0.23 0.00 -0.02 -0.49 0.00 0.33 19 1 0.02 0.06 -0.09 -0.02 0.04 0.00 0.04 0.01 0.05 20 1 -0.02 0.06 0.09 -0.02 -0.04 0.00 -0.04 0.01 -0.05 21 1 -0.13 -0.11 -0.01 0.23 0.00 -0.02 0.49 0.00 -0.34 22 1 0.06 0.08 0.12 -0.04 -0.12 0.00 0.01 0.05 0.06 23 1 -0.06 0.08 -0.12 -0.04 0.12 0.00 -0.01 0.05 -0.06 28 29 30 A A A Frequencies -- 1022.2368 1053.6336 1071.1449 Red. masses -- 2.7683 1.9941 2.0400 Frc consts -- 1.7044 1.3043 1.3790 IR Inten -- 5.1917 5.9463 96.9386 Atom AN X Y Z X Y Z X Y Z 1 6 -0.01 0.02 0.00 0.03 0.01 0.03 -0.04 -0.11 -0.03 2 8 -0.01 0.00 -0.01 -0.02 -0.01 -0.01 0.08 0.00 0.06 3 6 0.03 0.00 0.03 0.00 0.02 0.00 -0.12 0.00 -0.13 4 6 -0.01 -0.02 0.00 -0.03 0.01 -0.03 -0.04 0.11 -0.03 5 1 0.01 0.00 0.02 0.00 -0.05 0.00 -0.09 0.00 -0.11 6 1 0.03 0.00 0.03 0.00 -0.02 0.00 -0.12 0.00 -0.11 7 8 -0.01 0.00 -0.01 0.02 -0.01 0.01 0.08 0.00 0.06 8 1 0.01 -0.13 -0.09 -0.06 0.00 -0.03 0.29 0.50 0.16 9 1 0.01 0.13 -0.09 0.06 0.00 0.03 0.29 -0.50 0.16 10 6 0.11 0.11 0.07 0.03 0.02 0.06 0.01 0.03 0.00 11 6 0.11 -0.11 0.07 -0.03 0.02 -0.06 0.01 -0.03 0.00 12 6 -0.05 -0.13 0.02 -0.07 -0.04 0.05 -0.03 0.00 0.04 13 6 -0.03 0.15 -0.06 0.17 0.01 -0.01 -0.01 0.01 -0.02 14 6 -0.03 -0.15 -0.06 -0.17 0.01 0.01 -0.01 -0.01 -0.02 15 6 -0.05 0.13 0.02 0.07 -0.04 -0.05 -0.03 0.00 0.04 16 1 -0.03 0.07 0.21 0.00 0.01 0.08 -0.05 0.08 0.01 17 1 -0.03 -0.07 0.21 0.00 0.01 -0.08 -0.05 -0.08 0.01 18 1 -0.15 -0.17 -0.33 0.13 -0.07 -0.06 0.14 -0.03 -0.08 19 1 -0.05 0.32 -0.23 -0.02 0.13 0.44 -0.03 0.10 -0.06 20 1 -0.05 -0.32 -0.23 0.02 0.13 -0.44 -0.03 -0.10 -0.06 21 1 -0.15 0.17 -0.33 -0.13 -0.07 0.06 0.14 0.03 -0.08 22 1 -0.03 0.17 -0.06 -0.25 -0.05 -0.38 0.00 -0.12 0.05 23 1 -0.03 -0.17 -0.06 0.25 -0.05 0.38 0.00 0.12 0.05 31 32 33 A A A Frequencies -- 1095.3083 1111.4548 1158.1978 Red. masses -- 3.1550 1.7231 1.4831 Frc consts -- 2.2301 1.2541 1.1721 IR Inten -- 0.6399 0.6254 6.9888 Atom AN X Y Z X Y Z X Y Z 1 6 -0.13 0.00 -0.21 0.01 0.01 0.00 0.02 -0.01 0.01 2 8 0.10 0.04 0.10 -0.01 0.00 0.00 0.02 -0.01 -0.05 3 6 0.00 -0.12 0.00 0.01 0.00 0.01 -0.12 0.00 0.14 4 6 0.13 0.00 0.21 0.01 -0.01 0.00 0.02 0.01 0.01 5 1 0.00 0.19 0.00 0.01 0.00 0.01 0.61 0.00 0.29 6 1 0.00 0.16 0.00 0.01 0.00 0.01 -0.27 0.00 -0.65 7 8 -0.10 0.04 -0.10 -0.01 0.00 0.00 0.02 0.01 -0.05 8 1 0.58 -0.12 -0.04 -0.03 -0.03 0.00 0.02 0.01 0.01 9 1 -0.58 -0.12 0.04 -0.03 0.03 0.00 0.02 -0.01 0.01 10 6 0.02 0.01 0.01 0.04 0.10 0.03 0.00 0.00 0.00 11 6 -0.02 0.01 -0.01 0.04 -0.10 0.03 0.00 0.00 0.00 12 6 -0.02 -0.01 0.02 -0.04 0.00 -0.06 0.00 0.00 0.00 13 6 0.04 0.00 -0.01 0.02 -0.11 0.05 0.00 0.00 0.00 14 6 -0.04 0.00 0.01 0.02 0.11 0.05 0.00 0.00 0.00 15 6 0.02 -0.01 -0.02 -0.04 0.00 -0.06 0.00 0.00 0.00 16 1 -0.01 0.01 0.02 -0.13 0.47 -0.10 -0.01 0.02 -0.01 17 1 0.01 0.01 -0.02 -0.13 -0.47 -0.10 -0.01 -0.02 -0.01 18 1 0.04 -0.03 -0.01 -0.10 -0.03 -0.31 0.02 0.00 0.02 19 1 -0.01 0.05 0.09 0.01 -0.16 0.12 -0.01 0.03 -0.02 20 1 0.01 0.05 -0.09 0.01 0.16 0.12 -0.01 -0.03 -0.02 21 1 -0.04 -0.03 0.01 -0.10 0.03 -0.31 0.02 0.00 0.02 22 1 -0.05 -0.01 -0.08 0.03 -0.24 0.11 0.01 -0.03 0.02 23 1 0.05 -0.01 0.08 0.03 0.24 0.11 0.01 0.03 0.02 34 35 36 A A A Frequencies -- 1184.5446 1184.7849 1206.1959 Red. masses -- 1.1409 1.1724 1.8403 Frc consts -- 0.9432 0.9696 1.5775 IR Inten -- 47.0194 0.0029 208.2201 Atom AN X Y Z X Y Z X Y Z 1 6 0.03 -0.01 0.01 0.00 0.00 0.00 -0.06 0.05 -0.05 2 8 -0.03 0.00 -0.02 0.00 0.00 0.00 0.10 0.02 0.08 3 6 0.04 0.00 0.01 0.00 0.00 0.00 -0.09 0.00 -0.06 4 6 0.03 0.01 0.01 0.00 0.00 0.00 -0.06 -0.05 -0.05 5 1 -0.05 0.00 -0.01 0.00 -0.02 0.00 0.03 0.00 -0.03 6 1 0.04 0.00 0.06 0.00 0.02 0.00 -0.09 0.00 -0.09 7 8 -0.03 0.00 -0.02 0.00 0.00 0.00 0.10 -0.02 0.08 8 1 0.00 0.03 0.05 0.00 0.00 0.00 -0.31 -0.31 -0.18 9 1 0.00 -0.03 0.05 0.00 0.00 0.01 -0.31 0.31 -0.18 10 6 -0.01 0.02 -0.01 -0.02 0.03 -0.02 0.00 0.01 0.00 11 6 -0.01 -0.02 -0.01 0.02 0.03 0.02 0.00 -0.01 0.00 12 6 0.02 0.00 0.01 -0.04 -0.04 -0.05 -0.01 -0.01 0.00 13 6 -0.01 0.02 0.00 0.01 -0.01 0.01 0.02 0.00 0.01 14 6 -0.01 -0.02 0.00 -0.01 -0.01 -0.01 0.02 0.00 0.01 15 6 0.02 0.00 0.01 0.04 -0.04 0.05 -0.01 0.01 0.00 16 1 -0.17 0.38 -0.15 -0.16 0.36 -0.15 -0.10 0.23 -0.09 17 1 -0.17 -0.38 -0.15 0.16 0.36 0.14 -0.10 -0.23 -0.09 18 1 0.19 0.02 0.37 -0.29 -0.05 -0.46 0.10 0.00 0.18 19 1 -0.06 0.29 -0.19 0.01 -0.06 0.04 0.02 -0.01 0.02 20 1 -0.06 -0.28 -0.19 -0.01 -0.06 -0.04 0.02 0.01 0.02 21 1 0.18 -0.02 0.36 0.30 -0.05 0.46 0.10 0.00 0.18 22 1 0.02 -0.03 0.05 0.01 -0.10 0.05 -0.07 0.27 -0.20 23 1 0.02 0.03 0.05 -0.01 -0.10 -0.05 -0.07 -0.27 -0.20 37 38 39 A A A Frequencies -- 1208.1333 1236.3045 1298.8964 Red. masses -- 1.0528 1.1806 1.0918 Frc consts -- 0.9054 1.0631 1.0852 IR Inten -- 0.0166 22.3024 3.1959 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 -0.01 0.01 -0.01 0.03 0.01 -0.01 0.01 2 8 0.02 -0.01 -0.02 -0.03 -0.01 -0.03 0.00 0.00 0.00 3 6 0.00 0.03 0.00 0.02 0.00 0.02 0.00 0.00 0.00 4 6 0.00 0.00 0.01 0.01 0.01 0.03 -0.01 -0.01 -0.01 5 1 0.00 0.70 0.00 0.02 0.00 0.02 0.00 -0.03 0.00 6 1 0.00 -0.71 0.00 0.02 0.00 0.02 0.00 0.00 0.00 7 8 -0.02 -0.01 0.02 -0.03 0.01 -0.03 0.00 0.00 0.00 8 1 0.02 0.03 0.02 0.21 0.15 0.07 0.03 0.05 0.02 9 1 -0.02 0.03 -0.02 0.21 -0.15 0.07 -0.03 0.05 -0.02 10 6 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.01 11 6 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.01 12 6 0.00 0.00 0.00 -0.04 -0.01 0.02 0.02 0.00 -0.01 13 6 0.00 0.00 0.00 0.04 0.00 0.00 0.05 0.01 -0.02 14 6 0.00 0.00 0.00 0.04 0.00 0.00 -0.05 0.01 0.02 15 6 0.00 0.00 0.00 -0.04 0.01 0.02 -0.02 0.00 0.01 16 1 0.00 0.01 0.00 -0.05 0.14 -0.05 0.02 -0.02 0.00 17 1 0.00 0.01 0.00 -0.05 -0.14 -0.05 -0.02 -0.02 0.00 18 1 -0.01 0.00 -0.01 0.10 -0.02 0.03 0.01 0.01 0.04 19 1 0.00 0.01 0.00 0.06 -0.22 0.21 -0.07 0.40 -0.14 20 1 0.00 0.01 0.00 0.06 0.22 0.21 0.07 0.40 0.14 21 1 0.01 0.00 0.01 0.10 0.02 0.03 -0.01 0.01 -0.04 22 1 0.00 -0.01 0.00 -0.10 0.41 -0.33 0.04 -0.51 0.21 23 1 0.00 -0.01 0.00 -0.10 -0.41 -0.33 -0.04 -0.51 -0.21 40 41 42 A A A Frequencies -- 1307.2840 1318.7122 1371.3565 Red. masses -- 1.2656 1.9468 1.3132 Frc consts -- 1.2743 1.9947 1.4551 IR Inten -- 0.0002 6.0248 0.8591 Atom AN X Y Z X Y Z X Y Z 1 6 0.06 -0.06 0.05 -0.02 0.03 0.01 0.00 0.00 0.00 2 8 0.01 0.03 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 3 6 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 6 -0.06 -0.06 -0.05 -0.02 -0.03 0.01 0.00 0.00 0.00 5 1 0.00 -0.28 0.00 -0.01 0.00 0.00 0.00 -0.02 0.00 6 1 0.00 -0.25 0.00 -0.01 0.00 -0.03 0.00 -0.03 0.00 7 8 -0.01 0.03 -0.03 0.00 0.01 0.00 0.00 0.00 0.00 8 1 0.38 0.46 0.23 0.16 0.08 0.04 0.00 0.00 0.00 9 1 -0.38 0.46 -0.23 0.16 -0.08 0.04 0.00 0.00 0.00 10 6 0.00 0.00 0.00 0.05 -0.05 0.05 0.02 -0.04 0.02 11 6 0.00 0.00 0.00 0.05 0.05 0.05 -0.02 -0.04 -0.02 12 6 0.00 0.00 0.00 -0.05 0.02 -0.10 -0.02 -0.01 -0.03 13 6 0.00 0.00 0.01 0.01 -0.12 0.08 -0.02 0.08 -0.06 14 6 0.00 0.00 -0.01 0.01 0.12 0.08 0.02 0.08 0.06 15 6 0.00 0.00 0.00 -0.05 -0.02 -0.10 0.02 -0.01 0.03 16 1 -0.01 0.01 0.00 0.09 -0.14 0.09 -0.11 0.24 -0.09 17 1 0.01 0.01 0.00 0.09 0.14 0.09 0.11 0.24 0.09 18 1 0.00 0.00 0.00 0.02 0.02 -0.02 0.17 -0.01 0.28 19 1 0.01 -0.04 0.01 -0.09 0.42 -0.34 0.06 -0.36 0.27 20 1 -0.01 -0.04 -0.01 -0.09 -0.42 -0.34 -0.06 -0.36 -0.27 21 1 0.00 0.00 0.00 0.02 -0.02 -0.02 -0.17 -0.01 -0.28 22 1 -0.01 0.05 -0.03 -0.07 0.23 -0.17 0.08 -0.24 0.18 23 1 0.01 0.05 0.03 -0.07 -0.23 -0.17 -0.08 -0.24 -0.18 43 44 45 A A A Frequencies -- 1403.4394 1453.8213 1464.5519 Red. masses -- 1.5892 2.5662 1.3329 Frc consts -- 1.8442 3.1957 1.6844 IR Inten -- 2.7745 81.0490 4.2217 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 -0.07 0.21 -0.01 0.04 -0.03 0.03 2 8 0.00 0.00 0.00 0.02 -0.03 0.00 -0.04 0.02 -0.03 3 6 0.00 0.01 0.00 -0.02 0.00 -0.02 0.00 -0.12 0.00 4 6 0.00 0.00 0.00 -0.07 -0.21 -0.01 -0.04 -0.03 -0.03 5 1 0.00 -0.04 0.00 0.02 0.00 -0.01 0.00 0.70 0.00 6 1 0.00 -0.04 0.00 -0.02 0.00 0.01 0.00 0.64 0.00 7 8 0.00 0.00 0.00 0.02 0.03 0.00 0.04 0.02 0.03 8 1 0.01 0.00 -0.01 0.39 0.15 0.17 0.10 0.14 0.05 9 1 -0.01 0.00 0.01 0.39 -0.15 0.17 -0.10 0.14 -0.05 10 6 -0.01 0.06 0.00 0.03 -0.06 0.03 0.00 0.00 0.00 11 6 0.01 0.06 0.00 0.03 0.06 0.03 0.00 0.00 0.00 12 6 0.04 -0.04 0.09 -0.02 -0.05 -0.08 0.00 0.00 0.00 13 6 -0.03 0.05 -0.09 -0.01 0.07 0.00 0.00 0.01 0.00 14 6 0.03 0.05 0.09 -0.01 -0.07 0.00 0.00 0.01 0.00 15 6 -0.04 -0.04 -0.09 -0.02 0.05 -0.08 0.00 0.00 0.00 16 1 0.20 -0.39 0.16 -0.05 0.07 0.00 0.00 -0.01 0.01 17 1 -0.20 -0.39 -0.16 -0.05 -0.07 0.00 0.00 -0.01 -0.01 18 1 -0.21 -0.05 -0.30 0.04 -0.03 0.27 -0.01 0.00 0.00 19 1 0.01 -0.24 0.16 0.07 -0.20 0.11 0.02 -0.05 0.00 20 1 -0.01 -0.24 -0.16 0.07 0.20 0.11 -0.02 -0.05 0.00 21 1 0.21 -0.05 0.30 0.04 0.03 0.27 0.01 0.00 0.00 22 1 0.07 -0.16 0.11 0.02 -0.24 0.17 -0.02 -0.02 -0.01 23 1 -0.07 -0.16 -0.11 0.02 0.24 0.17 0.02 -0.02 0.01 46 47 48 A A A Frequencies -- 1482.8122 1521.1473 1540.2830 Red. masses -- 1.9114 1.1015 1.2956 Frc consts -- 2.4761 1.5017 1.8110 IR Inten -- 17.0263 1.3330 6.2104 Atom AN X Y Z X Y Z X Y Z 1 6 -0.01 0.07 0.00 0.00 0.00 0.00 -0.01 0.06 -0.01 2 8 0.00 -0.01 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 3 6 -0.01 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 4 6 -0.01 -0.07 0.00 0.00 0.00 0.00 -0.01 -0.06 -0.01 5 1 0.01 0.00 0.00 0.00 -0.02 0.00 -0.09 0.00 -0.02 6 1 0.00 0.00 0.01 0.00 -0.03 0.00 -0.01 0.00 -0.08 7 8 0.00 0.01 0.00 0.00 0.00 0.00 0.01 0.01 0.00 8 1 0.11 0.04 0.06 -0.01 -0.01 0.00 0.06 0.03 0.05 9 1 0.11 -0.04 0.06 0.01 -0.01 0.00 0.06 -0.03 0.05 10 6 -0.02 -0.11 -0.03 -0.02 0.01 -0.02 -0.02 0.06 -0.02 11 6 -0.02 0.11 -0.03 0.02 0.01 0.02 -0.02 -0.06 -0.02 12 6 0.09 0.00 0.12 -0.01 -0.01 -0.01 0.02 0.02 0.02 13 6 -0.01 -0.03 -0.01 0.01 0.04 0.04 -0.01 -0.04 -0.05 14 6 -0.01 0.03 -0.01 -0.01 0.04 -0.04 -0.01 0.04 -0.05 15 6 0.09 0.00 0.12 0.01 -0.01 0.01 0.02 -0.02 0.02 16 1 -0.20 0.23 -0.18 0.02 -0.06 0.01 0.03 -0.05 0.02 17 1 -0.20 -0.23 -0.18 -0.02 -0.06 -0.01 0.03 0.05 0.02 18 1 -0.30 0.00 -0.41 0.02 -0.01 0.02 0.00 0.02 -0.03 19 1 -0.01 0.09 -0.17 0.23 -0.26 -0.37 -0.23 0.26 0.34 20 1 -0.01 -0.09 -0.17 -0.23 -0.26 0.37 -0.23 -0.26 0.34 21 1 -0.30 0.00 -0.41 -0.02 -0.01 -0.02 0.00 -0.02 -0.03 22 1 -0.06 0.05 -0.10 -0.36 -0.25 -0.21 0.35 0.26 0.18 23 1 -0.06 -0.05 -0.10 0.36 -0.25 0.21 0.35 -0.26 0.18 49 50 51 A A A Frequencies -- 1559.5866 1583.0474 1601.7130 Red. masses -- 2.9909 1.0960 3.6475 Frc consts -- 4.2862 1.6183 5.5133 IR Inten -- 8.0767 7.1233 1.9659 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.13 -0.01 0.01 0.00 0.00 0.01 0.00 0.00 2 8 0.00 -0.01 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 3 6 -0.01 0.00 -0.01 -0.06 0.00 -0.06 0.00 0.00 0.00 4 6 0.00 -0.13 -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 5 1 0.03 0.00 0.00 0.70 0.00 0.12 0.00 0.00 0.00 6 1 0.00 0.00 0.04 0.09 0.00 0.68 0.00 0.00 0.00 7 8 0.00 0.01 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 8 1 0.09 0.06 0.14 0.00 0.00 0.01 0.02 0.00 -0.01 9 1 0.09 -0.06 0.14 0.00 0.00 0.01 -0.02 0.00 0.01 10 6 -0.07 0.22 -0.05 0.00 0.00 0.00 -0.16 0.12 -0.16 11 6 -0.07 -0.22 -0.05 0.00 0.00 0.00 0.16 0.12 0.16 12 6 0.05 0.08 0.06 0.00 0.00 0.00 -0.14 -0.08 -0.17 13 6 0.01 -0.01 0.03 0.00 -0.01 0.00 0.02 0.00 0.03 14 6 0.01 0.01 0.03 0.00 0.01 0.00 -0.02 0.00 -0.03 15 6 0.05 -0.08 0.06 0.00 0.00 0.00 0.14 -0.08 0.17 16 1 0.15 -0.21 0.10 0.00 0.00 0.00 0.09 -0.45 0.04 17 1 0.15 0.21 0.10 0.00 0.00 0.00 -0.09 -0.45 -0.04 18 1 0.06 0.09 0.02 0.00 0.00 0.00 0.14 -0.10 0.25 19 1 0.14 -0.07 -0.37 -0.03 0.04 0.03 -0.04 0.01 0.23 20 1 0.14 0.07 -0.37 -0.03 -0.04 0.03 0.04 0.01 -0.23 21 1 0.06 -0.09 0.02 0.00 0.00 0.00 -0.14 -0.10 -0.25 22 1 -0.28 -0.08 -0.22 0.04 0.03 0.03 0.11 0.06 0.09 23 1 -0.28 0.09 -0.22 0.04 -0.03 0.03 -0.11 0.07 -0.09 52 53 54 A A A Frequencies -- 3017.4177 3020.9038 3036.3403 Red. masses -- 1.0737 1.0553 1.0695 Frc consts -- 5.7595 5.6743 5.8096 IR Inten -- 20.5771 106.6276 72.4741 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 6 0.00 0.00 0.00 -0.03 0.00 -0.06 0.00 0.00 0.00 4 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 1 0.00 0.00 0.00 -0.19 0.00 0.82 -0.01 0.00 0.05 6 1 0.00 0.00 0.00 0.52 0.00 -0.11 0.01 0.00 0.00 7 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 1 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 9 1 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 10 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 6 -0.03 0.02 0.04 0.00 0.00 0.00 0.02 -0.02 -0.04 14 6 0.03 0.02 -0.04 0.00 0.00 0.00 0.02 0.02 -0.04 15 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 1 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 19 1 -0.12 -0.04 -0.02 -0.04 -0.01 -0.01 0.19 0.07 0.04 20 1 0.12 -0.04 0.02 -0.04 0.01 -0.01 0.19 -0.07 0.04 21 1 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.02 0.00 22 1 0.46 -0.22 -0.47 0.02 -0.01 -0.01 -0.45 0.21 0.45 23 1 -0.46 -0.22 0.47 0.02 0.01 -0.01 -0.45 -0.21 0.45 55 56 57 A A A Frequencies -- 3061.2159 3069.1095 3087.3776 Red. masses -- 1.1153 1.0900 1.0936 Frc consts -- 6.1576 6.0495 6.1418 IR Inten -- 86.5334 7.6580 35.9175 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 6 -0.08 0.00 0.06 0.00 0.00 0.00 0.01 0.00 -0.01 4 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 1 0.09 0.00 -0.50 0.00 0.00 0.00 -0.02 0.00 0.09 6 1 0.84 0.00 -0.15 0.00 0.00 0.00 -0.05 0.00 0.01 7 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 6 0.00 0.00 0.00 -0.06 -0.02 -0.01 -0.06 -0.02 0.00 14 6 0.00 0.00 0.00 0.06 -0.02 0.01 -0.06 0.02 0.00 15 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 1 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 -0.03 0.00 19 1 0.06 0.02 0.02 0.62 0.25 0.18 0.60 0.24 0.18 20 1 0.06 -0.02 0.02 -0.62 0.24 -0.18 0.60 -0.24 0.18 21 1 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 0.03 0.00 22 1 0.00 0.00 0.00 0.07 -0.04 -0.08 0.12 -0.07 -0.14 23 1 0.00 0.00 0.00 -0.07 -0.04 0.08 0.12 0.07 -0.14 58 59 60 A A A Frequencies -- 3153.4855 3159.2464 3171.8801 Red. masses -- 1.0839 1.0873 1.0922 Frc consts -- 6.3508 6.3937 6.4743 IR Inten -- 4.9210 5.7967 49.5588 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 6 -0.02 -0.02 -0.03 -0.01 -0.01 -0.02 0.02 0.02 0.03 11 6 0.02 -0.02 0.03 -0.01 0.01 -0.02 -0.02 0.02 -0.03 12 6 0.01 0.04 0.00 -0.01 -0.05 0.00 0.01 0.04 0.00 13 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 6 -0.01 0.04 0.00 -0.01 0.05 0.00 -0.01 0.04 0.00 16 1 0.25 0.25 0.35 0.15 0.15 0.21 -0.25 -0.25 -0.36 17 1 -0.25 0.25 -0.35 0.15 -0.15 0.21 0.25 -0.25 0.36 18 1 -0.05 -0.50 0.04 0.07 0.63 -0.06 -0.05 -0.49 0.04 19 1 -0.02 -0.01 -0.01 0.03 0.01 0.01 -0.01 0.00 -0.01 20 1 0.02 -0.01 0.01 0.03 -0.01 0.01 0.01 0.00 0.01 21 1 0.05 -0.50 -0.04 0.07 -0.63 -0.06 0.05 -0.49 -0.04 22 1 0.00 0.00 0.00 -0.01 0.00 0.01 0.01 0.00 -0.01 23 1 0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 0.00 0.01 61 62 63 A A A Frequencies -- 3185.8046 3290.9046 3307.6431 Red. masses -- 1.0972 1.0899 1.1012 Frc consts -- 6.5611 6.9544 7.0986 IR Inten -- 30.7692 0.0857 1.5880 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.02 0.04 0.05 -0.02 -0.04 -0.05 2 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 6 0.00 0.00 0.00 -0.02 0.04 -0.05 -0.02 0.04 -0.05 5 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 6 1 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 7 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 1 0.00 0.00 0.00 0.18 -0.43 0.53 0.18 -0.43 0.53 9 1 0.00 0.00 0.00 -0.18 -0.43 -0.53 0.18 0.43 0.53 10 6 -0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 11 6 -0.03 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 12 6 0.01 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 6 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 1 0.32 0.32 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17 1 0.32 -0.32 0.45 0.00 0.00 0.00 0.00 0.00 0.00 18 1 -0.03 -0.30 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19 1 -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 20 1 -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 21 1 -0.03 0.30 0.02 0.00 0.00 0.00 0.00 0.00 0.00 22 1 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 23 1 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 ------------------- - Thermochemistry - ------------------- Temperature 298.150 Kelvin. Pressure 1.00000 Atm. Atom 1 has atomic number 6 and mass 12.00000 Atom 2 has atomic number 8 and mass 15.99491 Atom 3 has atomic number 6 and mass 12.00000 Atom 4 has atomic number 6 and mass 12.00000 Atom 5 has atomic number 1 and mass 1.00783 Atom 6 has atomic number 1 and mass 1.00783 Atom 7 has atomic number 8 and mass 15.99491 Atom 8 has atomic number 1 and mass 1.00783 Atom 9 has atomic number 1 and mass 1.00783 Atom 10 has atomic number 6 and mass 12.00000 Atom 11 has atomic number 6 and mass 12.00000 Atom 12 has atomic number 6 and mass 12.00000 Atom 13 has atomic number 6 and mass 12.00000 Atom 14 has atomic number 6 and mass 12.00000 Atom 15 has atomic number 6 and mass 12.00000 Atom 16 has atomic number 1 and mass 1.00783 Atom 17 has atomic number 1 and mass 1.00783 Atom 18 has atomic number 1 and mass 1.00783 Atom 19 has atomic number 1 and mass 1.00783 Atom 20 has atomic number 1 and mass 1.00783 Atom 21 has atomic number 1 and mass 1.00783 Atom 22 has atomic number 1 and mass 1.00783 Atom 23 has atomic number 1 and mass 1.00783 Molecular mass: 152.08373 amu. Principal axes and moments of inertia in atomic units: 1 2 3 Eigenvalues -- 944.861351782.019761902.34837 X 0.99987 0.00000 0.01599 Y 0.00000 1.00000 -0.00003 Z -0.01599 0.00003 0.99987 This molecule is an asymmetric top. Rotational symmetry number 1. Warning -- assumption of classical behavior for rotation may cause significant error Rotational temperatures (Kelvin) 0.09167 0.04860 0.04553 Rotational constants (GHZ): 1.91006 1.01275 0.94869 1 imaginary frequencies ignored. Zero-point vibrational energy 509189.9 (Joules/Mol) 121.69931 (Kcal/Mol) Warning -- explicit consideration of 12 degrees of freedom as vibrations may cause significant error Vibrational temperatures: 141.76 177.47 194.44 249.00 287.90 (Kelvin) 351.43 400.51 531.86 730.64 776.19 853.07 856.99 1017.79 1072.98 1126.42 1168.28 1201.27 1208.83 1231.09 1260.12 1330.58 1364.94 1383.92 1384.81 1448.96 1456.18 1470.77 1515.94 1541.14 1575.90 1599.13 1666.39 1704.29 1704.64 1735.44 1738.23 1778.76 1868.82 1880.89 1897.33 1973.07 2019.23 2091.72 2107.16 2133.43 2188.59 2216.12 2243.89 2277.65 2304.50 4341.39 4346.40 4368.61 4404.40 4415.76 4442.04 4537.16 4545.45 4563.62 4583.66 4734.87 4758.95 Zero-point correction= 0.193940 (Hartree/Particle) Thermal correction to Energy= 0.203260 Thermal correction to Enthalpy= 0.204204 Thermal correction to Gibbs Free Energy= 0.159506 Sum of electronic and zero-point Energies= -500.294729 Sum of electronic and thermal Energies= -500.285409 Sum of electronic and thermal Enthalpies= -500.284465 Sum of electronic and thermal Free Energies= -500.329163 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 127.548 36.599 94.076 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 40.968 Rotational 0.889 2.981 29.550 Vibrational 125.770 30.638 23.558 Vibration 1 0.604 1.950 3.483 Vibration 2 0.610 1.930 3.047 Vibration 3 0.613 1.918 2.872 Vibration 4 0.627 1.876 2.402 Vibration 5 0.638 1.840 2.132 Vibration 6 0.660 1.772 1.772 Vibration 7 0.679 1.714 1.544 Vibration 8 0.742 1.535 1.081 Vibration 9 0.863 1.233 0.639 Vibration 10 0.895 1.163 0.566 Vibration 11 0.950 1.047 0.462 Vibration 12 0.953 1.041 0.457 Q Log10(Q) Ln(Q) Total Bot 0.429153D-73 -73.367388 -168.934653 Total V=0 0.689790D+16 15.838717 36.469994 Vib (Bot) 0.908660D-87 -87.041599 -200.420688 Vib (Bot) 1 0.208354D+01 0.318801 0.734066 Vib (Bot) 2 0.165548D+01 0.218925 0.504094 Vib (Bot) 3 0.150654D+01 0.177980 0.409814 Vib (Bot) 4 0.116329D+01 0.065690 0.151256 Vib (Bot) 5 0.996430D+00 -0.001553 -0.003576 Vib (Bot) 6 0.801196D+00 -0.096261 -0.221650 Vib (Bot) 7 0.691258D+00 -0.160360 -0.369243 Vib (Bot) 8 0.492614D+00 -0.307493 -0.708029 Vib (Bot) 9 0.321388D+00 -0.492970 -1.135106 Vib (Bot) 10 0.293827D+00 -0.531908 -1.224764 Vib (Bot) 11 0.253674D+00 -0.595725 -1.371707 Vib (Bot) 12 0.251811D+00 -0.598925 -1.379077 Vib (V=0) 0.146051D+03 2.164506 4.983959 Vib (V=0) 1 0.264269D+01 0.422046 0.971797 Vib (V=0) 2 0.222934D+01 0.348177 0.801707 Vib (V=0) 3 0.208734D+01 0.319594 0.735891 Vib (V=0) 4 0.176620D+01 0.247039 0.568829 Vib (V=0) 5 0.161484D+01 0.208130 0.479237 Vib (V=0) 6 0.144441D+01 0.159691 0.367703 Vib (V=0) 7 0.135313D+01 0.131341 0.302423 Vib (V=0) 8 0.120190D+01 0.079870 0.183907 Vib (V=0) 9 0.109438D+01 0.039169 0.090190 Vib (V=0) 10 0.107994D+01 0.033401 0.076909 Vib (V=0) 11 0.106067D+01 0.025580 0.058900 Vib (V=0) 12 0.105983D+01 0.025236 0.058108 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.737190D+08 7.867579 18.115771 Rotational 0.640666D+06 5.806632 13.370264 ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000002361 -0.000001308 -0.000002372 2 8 0.000000435 -0.000004479 0.000001383 3 6 0.000003993 -0.000001402 0.000001309 4 6 -0.000008726 0.000002417 0.000000102 5 1 0.000000358 -0.000000494 -0.000001395 6 1 -0.000000428 -0.000000560 -0.000000124 7 8 0.000002060 0.000003313 -0.000002299 8 1 -0.000000548 0.000000696 -0.000000729 9 1 -0.000001413 0.000000874 0.000001127 10 6 0.000002807 -0.000002317 0.000004101 11 6 -0.000003330 0.000000389 -0.000001238 12 6 0.000004242 0.000000024 0.000000782 13 6 -0.000000033 0.000000270 0.000003793 14 6 0.000000132 -0.000000916 -0.000001180 15 6 -0.000002290 0.000002709 -0.000001010 16 1 0.000001027 0.000000335 -0.000000196 17 1 0.000000381 -0.000000273 -0.000000354 18 1 -0.000001400 0.000000134 -0.000001183 19 1 -0.000001113 0.000000736 -0.000002437 20 1 0.000000160 -0.000000864 0.000002453 21 1 0.000001312 0.000000918 -0.000001538 22 1 0.000001242 0.000000232 0.000001484 23 1 -0.000001226 -0.000000435 -0.000000479 ------------------------------------------------------------------- Cartesian Forces: Max 0.000008726 RMS 0.000002040 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000004215 RMS 0.000000866 Search for a saddle point. Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Swapping is turned off. Second derivative matrix not updated -- analytic derivatives used. ITU= 0 Eigenvalues --- -0.03189 0.00087 0.00111 0.00176 0.00430 Eigenvalues --- 0.00508 0.01274 0.01368 0.01441 0.01594 Eigenvalues --- 0.01688 0.01857 0.02067 0.02137 0.02234 Eigenvalues --- 0.02574 0.02661 0.03099 0.03272 0.03677 Eigenvalues --- 0.03991 0.04145 0.04595 0.04650 0.04939 Eigenvalues --- 0.05186 0.05246 0.05743 0.05913 0.06425 Eigenvalues --- 0.06813 0.07163 0.08898 0.09283 0.11253 Eigenvalues --- 0.11861 0.12445 0.12617 0.15481 0.16307 Eigenvalues --- 0.18369 0.18745 0.23372 0.24269 0.26917 Eigenvalues --- 0.27588 0.29672 0.30155 0.30786 0.32287 Eigenvalues --- 0.32448 0.32888 0.34623 0.35303 0.35333 Eigenvalues --- 0.35475 0.35566 0.36577 0.38193 0.38371 Eigenvalues --- 0.41332 0.41741 0.43946 Eigenvectors required to have negative eigenvalues: R11 R4 D5 D7 D35 1 -0.56541 -0.56535 -0.16959 0.16958 0.14496 D2 D11 D9 R2 D61 1 -0.14494 -0.11839 0.11837 0.11436 -0.11054 Angle between quadratic step and forces= 74.85 degrees. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00008889 RMS(Int)= 0.00000001 Iteration 2 RMS(Cart)= 0.00000001 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.63219 0.00000 0.00000 0.00001 0.00001 2.63220 R2 2.62525 0.00000 0.00000 0.00000 0.00000 2.62525 R3 2.03575 0.00000 0.00000 0.00000 0.00000 2.03574 R4 4.37608 0.00000 0.00000 -0.00017 -0.00017 4.37590 R5 2.69179 0.00000 0.00000 0.00000 0.00000 2.69179 R6 2.07618 0.00000 0.00000 0.00000 0.00000 2.07618 R7 2.07491 0.00000 0.00000 0.00000 0.00000 2.07491 R8 2.69178 0.00000 0.00000 0.00002 0.00002 2.69179 R9 2.63220 0.00000 0.00000 0.00001 0.00001 2.63220 R10 2.03575 0.00000 0.00000 0.00000 0.00000 2.03574 R11 4.37569 0.00000 0.00000 0.00020 0.00020 4.37589 R12 4.44129 0.00000 0.00000 -0.00013 -0.00013 4.44116 R13 4.44082 0.00000 0.00000 0.00034 0.00034 4.44116 R14 2.66027 0.00000 0.00000 0.00000 0.00000 2.66027 R15 2.62030 0.00000 0.00000 -0.00001 -0.00001 2.62029 R16 2.05659 0.00000 0.00000 0.00000 0.00000 2.05659 R17 2.62030 0.00000 0.00000 0.00000 0.00000 2.62029 R18 2.05659 0.00000 0.00000 0.00000 0.00000 2.05659 R19 2.86317 0.00000 0.00000 0.00000 0.00000 2.86316 R20 2.05804 0.00000 0.00000 0.00000 0.00000 2.05804 R21 2.94453 0.00000 0.00000 0.00001 0.00001 2.94454 R22 2.07029 0.00000 0.00000 0.00000 0.00000 2.07029 R23 2.07660 0.00000 0.00000 0.00000 0.00000 2.07660 R24 2.86316 0.00000 0.00000 0.00000 0.00000 2.86316 R25 2.07028 0.00000 0.00000 0.00000 0.00000 2.07028 R26 2.07659 0.00000 0.00000 0.00000 0.00000 2.07660 R27 2.05805 0.00000 0.00000 0.00000 0.00000 2.05804 A1 1.90227 0.00000 0.00000 0.00001 0.00001 1.90228 A2 1.99453 0.00000 0.00000 -0.00001 -0.00001 1.99452 A3 1.86556 0.00000 0.00000 0.00001 0.00001 1.86557 A4 2.21855 0.00000 0.00000 -0.00001 -0.00001 2.21853 A5 1.86428 0.00000 0.00000 0.00002 0.00002 1.86429 A6 1.54415 0.00000 0.00000 -0.00002 -0.00002 1.54413 A7 1.86545 0.00000 0.00000 -0.00001 -0.00001 1.86544 A8 1.91789 0.00000 0.00000 0.00000 0.00000 1.91789 A9 1.91615 0.00000 0.00000 0.00000 0.00000 1.91615 A10 1.87432 0.00000 0.00000 0.00000 0.00000 1.87432 A11 1.92092 0.00000 0.00000 0.00000 0.00000 1.92092 A12 1.91789 0.00000 0.00000 0.00000 0.00000 1.91789 A13 1.91615 0.00000 0.00000 0.00000 0.00000 1.91615 A14 1.90229 0.00000 0.00000 -0.00001 -0.00001 1.90228 A15 2.21851 0.00000 0.00000 0.00002 0.00002 2.21853 A16 1.86432 0.00000 0.00000 -0.00002 -0.00002 1.86430 A17 1.99452 0.00000 0.00000 0.00000 0.00000 1.99452 A18 1.86551 0.00000 0.00000 0.00006 0.00006 1.86557 A19 1.54419 0.00000 0.00000 -0.00005 -0.00005 1.54414 A20 1.82400 0.00000 0.00000 -0.00002 -0.00002 1.82398 A21 1.82385 0.00000 0.00000 0.00013 0.00013 1.82398 A22 1.05555 0.00000 0.00000 -0.00002 -0.00002 1.05553 A23 1.86545 0.00000 0.00000 0.00000 0.00000 1.86544 A24 2.06742 0.00000 0.00000 -0.00001 -0.00001 2.06741 A25 2.09054 0.00000 0.00000 -0.00001 -0.00001 2.09053 A26 2.09938 0.00000 0.00000 0.00000 0.00000 2.09938 A27 2.06740 0.00000 0.00000 0.00001 0.00001 2.06741 A28 2.09054 0.00000 0.00000 -0.00001 -0.00001 2.09053 A29 2.09939 0.00000 0.00000 -0.00001 -0.00001 2.09938 A30 1.72739 0.00000 0.00000 -0.00005 -0.00005 1.72734 A31 1.63585 0.00000 0.00000 -0.00006 -0.00006 1.63579 A32 1.73921 0.00000 0.00000 0.00003 0.00003 1.73924 A33 2.09873 0.00000 0.00000 0.00004 0.00004 2.09878 A34 2.08083 0.00000 0.00000 -0.00002 -0.00002 2.08081 A35 2.01642 0.00000 0.00000 0.00001 0.00001 2.01644 A36 1.96753 0.00000 0.00000 -0.00001 -0.00001 1.96752 A37 1.91103 0.00000 0.00000 -0.00003 -0.00003 1.91100 A38 1.87943 0.00000 0.00000 0.00004 0.00004 1.87947 A39 1.94891 0.00000 0.00000 0.00002 0.00002 1.94893 A40 1.90728 0.00000 0.00000 0.00000 0.00000 1.90728 A41 1.84428 0.00000 0.00000 -0.00001 -0.00001 1.84427 A42 1.96751 0.00000 0.00000 0.00001 0.00001 1.96752 A43 1.94893 0.00000 0.00000 0.00000 0.00000 1.94893 A44 1.90729 0.00000 0.00000 -0.00001 -0.00001 1.90728 A45 1.91096 0.00000 0.00000 0.00003 0.00003 1.91100 A46 1.87951 0.00000 0.00000 -0.00004 -0.00004 1.87947 A47 1.84427 0.00000 0.00000 0.00000 0.00000 1.84427 A48 1.72733 0.00000 0.00000 0.00000 0.00000 1.72733 A49 1.63566 0.00000 0.00000 0.00012 0.00012 1.63578 A50 1.73932 0.00000 0.00000 -0.00008 -0.00008 1.73924 A51 2.09881 0.00000 0.00000 -0.00003 -0.00003 2.09878 A52 2.08081 0.00000 0.00000 0.00000 0.00000 2.08081 A53 2.01643 0.00000 0.00000 0.00001 0.00001 2.01644 A54 2.15558 0.00000 0.00000 0.00010 0.00010 2.15568 A55 2.15582 0.00000 0.00000 -0.00014 -0.00014 2.15568 D1 0.09889 0.00000 0.00000 0.00003 0.00003 0.09893 D2 2.69578 0.00000 0.00000 0.00002 0.00002 2.69580 D3 -1.91001 0.00000 0.00000 0.00000 0.00000 -1.91001 D4 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 D5 2.50761 0.00000 0.00000 0.00003 0.00003 2.50764 D6 -2.00971 0.00000 0.00000 -0.00005 -0.00005 -2.00976 D7 -2.50767 0.00000 0.00000 0.00002 0.00002 -2.50765 D8 -0.00005 0.00000 0.00000 0.00005 0.00005 0.00000 D9 1.76581 0.00000 0.00000 -0.00003 -0.00003 1.76578 D10 2.00972 0.00000 0.00000 0.00004 0.00004 2.00976 D11 -1.76585 0.00000 0.00000 0.00006 0.00006 -1.76579 D12 0.00002 0.00000 0.00000 -0.00002 -0.00002 0.00000 D13 3.02073 0.00000 0.00000 0.00007 0.00007 3.02080 D14 0.90147 0.00000 0.00000 0.00008 0.00008 0.90154 D15 -1.13520 0.00000 0.00000 0.00005 0.00005 -1.13514 D16 0.98647 0.00000 0.00000 0.00004 0.00004 0.98652 D17 -1.13279 0.00000 0.00000 0.00005 0.00005 -1.13274 D18 3.11373 0.00000 0.00000 0.00003 0.00003 3.11376 D19 -1.25628 0.00000 0.00000 0.00006 0.00006 -1.25622 D20 2.90764 0.00000 0.00000 0.00007 0.00007 2.90771 D21 0.87098 0.00000 0.00000 0.00004 0.00004 0.87103 D22 1.92726 0.00000 0.00000 -0.00006 -0.00006 1.92720 D23 -2.24086 0.00000 0.00000 -0.00006 -0.00006 -2.24092 D24 -0.15833 0.00000 0.00000 -0.00006 -0.00006 -0.15839 D25 -1.57646 0.00000 0.00000 0.00000 0.00000 -1.57646 D26 -0.48232 0.00000 0.00000 0.00000 0.00000 -0.48232 D27 2.59452 0.00000 0.00000 0.00000 0.00000 2.59452 D28 -2.59452 0.00000 0.00000 0.00000 0.00000 -2.59452 D29 0.48232 0.00000 0.00000 0.00000 0.00000 0.48232 D30 1.57646 0.00000 0.00000 0.00000 0.00000 1.57646 D31 0.15833 0.00000 0.00000 0.00006 0.00006 0.15839 D32 -1.92727 0.00000 0.00000 0.00007 0.00007 -1.92720 D33 2.24085 0.00000 0.00000 0.00007 0.00007 2.24092 D34 -0.09888 0.00000 0.00000 -0.00004 -0.00004 -0.09893 D35 -2.69572 0.00000 0.00000 -0.00007 -0.00007 -2.69580 D36 1.91005 0.00000 0.00000 -0.00004 -0.00004 1.91001 D37 -0.98654 0.00000 0.00000 0.00002 0.00002 -0.98652 D38 1.13270 0.00000 0.00000 0.00004 0.00004 1.13274 D39 -3.11380 0.00000 0.00000 0.00004 0.00004 -3.11376 D40 -3.02081 0.00000 0.00000 0.00001 0.00001 -3.02080 D41 -0.90157 0.00000 0.00000 0.00003 0.00003 -0.90154 D42 1.13511 0.00000 0.00000 0.00003 0.00003 1.13514 D43 1.25620 0.00000 0.00000 0.00002 0.00002 1.25621 D44 -2.90775 0.00000 0.00000 0.00004 0.00004 -2.90771 D45 -0.87107 0.00000 0.00000 0.00004 0.00004 -0.87103 D46 1.26758 0.00000 0.00000 0.00019 0.00019 1.26777 D47 -0.45446 0.00000 0.00000 0.00003 0.00003 -0.45443 D48 -1.26803 0.00000 0.00000 0.00026 0.00026 -1.26777 D49 0.45427 0.00000 0.00000 0.00016 0.00016 0.45443 D50 -0.00002 0.00000 0.00000 0.00002 0.00002 0.00000 D51 2.90004 0.00000 0.00000 -0.00002 -0.00002 2.90002 D52 -2.90009 0.00000 0.00000 0.00007 0.00007 -2.90002 D53 -0.00003 0.00000 0.00000 0.00003 0.00003 0.00000 D54 -1.13875 0.00000 0.00000 -0.00008 -0.00008 -1.13883 D55 0.60087 0.00000 0.00000 0.00005 0.00005 0.60092 D56 -2.99630 0.00000 0.00000 0.00001 0.00001 -2.99630 D57 1.76007 0.00000 0.00000 -0.00014 -0.00014 1.75993 D58 -2.78350 0.00000 0.00000 0.00000 0.00000 -2.78350 D59 -0.09749 0.00000 0.00000 -0.00004 -0.00004 -0.09753 D60 1.13888 0.00000 0.00000 -0.00005 -0.00005 1.13883 D61 -0.60098 0.00000 0.00000 0.00005 0.00005 -0.60093 D62 2.99635 0.00000 0.00000 -0.00005 -0.00005 2.99630 D63 -1.75991 0.00000 0.00000 -0.00001 -0.00001 -1.75993 D64 2.78341 0.00000 0.00000 0.00008 0.00008 2.78350 D65 0.09755 0.00000 0.00000 -0.00001 -0.00001 0.09754 D66 -1.22207 0.00000 0.00000 -0.00011 -0.00011 -1.22219 D67 0.95877 0.00000 0.00000 -0.00013 -0.00013 0.95864 D68 2.95595 0.00000 0.00000 -0.00014 -0.00014 2.95582 D69 0.56941 0.00000 0.00000 -0.00020 -0.00020 0.56921 D70 2.75026 0.00000 0.00000 -0.00022 -0.00022 2.75004 D71 -1.53575 0.00000 0.00000 -0.00023 -0.00023 -1.53597 D72 -3.01188 0.00000 0.00000 -0.00012 -0.00012 -3.01200 D73 -0.83104 0.00000 0.00000 -0.00013 -0.00013 -0.83118 D74 1.16614 0.00000 0.00000 -0.00014 -0.00014 1.16600 D75 -0.00026 0.00000 0.00000 0.00026 0.00026 0.00000 D76 2.15968 0.00000 0.00000 0.00031 0.00031 2.15999 D77 -2.08949 0.00000 0.00000 0.00031 0.00031 -2.08919 D78 -2.16030 0.00000 0.00000 0.00031 0.00031 -2.16000 D79 -0.00036 0.00000 0.00000 0.00035 0.00035 0.00000 D80 2.03365 0.00000 0.00000 0.00035 0.00035 2.03401 D81 2.08888 0.00000 0.00000 0.00030 0.00030 2.08918 D82 -2.03437 0.00000 0.00000 0.00035 0.00035 -2.03402 D83 -0.00035 0.00000 0.00000 0.00035 0.00035 0.00000 D84 -1.77111 0.00000 0.00000 -0.00013 -0.00013 -1.77124 D85 0.42048 0.00000 0.00000 -0.00016 -0.00016 0.42032 D86 2.49239 0.00000 0.00000 -0.00015 -0.00015 2.49224 D87 1.22232 0.00000 0.00000 -0.00013 -0.00013 1.22219 D88 -0.56900 0.00000 0.00000 -0.00020 -0.00020 -0.56920 D89 3.01217 0.00000 0.00000 -0.00016 -0.00016 3.01200 D90 -0.95848 0.00000 0.00000 -0.00016 -0.00016 -0.95864 D91 -2.74980 0.00000 0.00000 -0.00023 -0.00023 -2.75003 D92 0.83137 0.00000 0.00000 -0.00019 -0.00019 0.83118 D93 -2.95565 0.00000 0.00000 -0.00016 -0.00016 -2.95581 D94 1.53621 0.00000 0.00000 -0.00023 -0.00023 1.53598 D95 -1.16581 0.00000 0.00000 -0.00019 -0.00019 -1.16600 D96 -0.42002 0.00000 0.00000 -0.00029 -0.00029 -0.42031 D97 1.77150 0.00000 0.00000 -0.00026 -0.00026 1.77124 D98 -2.49195 0.00000 0.00000 -0.00028 -0.00028 -2.49223 Item Value Threshold Converged? Maximum Force 0.000004 0.000450 YES RMS Force 0.000001 0.000300 YES Maximum Displacement 0.000480 0.001800 YES RMS Displacement 0.000089 0.001200 YES Predicted change in Energy=-2.329069D-09 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.3929 -DE/DX = 0.0 ! ! R2 R(1,4) 1.3892 -DE/DX = 0.0 ! ! R3 R(1,9) 1.0773 -DE/DX = 0.0 ! ! R4 R(1,15) 2.3157 -DE/DX = 0.0 ! ! R5 R(2,3) 1.4244 -DE/DX = 0.0 ! ! R6 R(3,5) 1.0987 -DE/DX = 0.0 ! ! R7 R(3,6) 1.098 -DE/DX = 0.0 ! ! R8 R(3,7) 1.4244 -DE/DX = 0.0 ! ! R9 R(4,7) 1.3929 -DE/DX = 0.0 ! ! R10 R(4,8) 1.0773 -DE/DX = 0.0 ! ! R11 R(4,12) 2.3155 -DE/DX = 0.0 ! ! R12 R(5,19) 2.3502 -DE/DX = 0.0 ! ! R13 R(5,20) 2.35 -DE/DX = 0.0 ! ! R14 R(10,11) 1.4078 -DE/DX = 0.0 ! ! R15 R(10,15) 1.3866 -DE/DX = 0.0 ! ! R16 R(10,16) 1.0883 -DE/DX = 0.0 ! ! R17 R(11,12) 1.3866 -DE/DX = 0.0 ! ! R18 R(11,17) 1.0883 -DE/DX = 0.0 ! ! R19 R(12,13) 1.5151 -DE/DX = 0.0 ! ! R20 R(12,18) 1.0891 -DE/DX = 0.0 ! ! R21 R(13,14) 1.5582 -DE/DX = 0.0 ! ! R22 R(13,19) 1.0955 -DE/DX = 0.0 ! ! R23 R(13,22) 1.0989 -DE/DX = 0.0 ! ! R24 R(14,15) 1.5151 -DE/DX = 0.0 ! ! R25 R(14,20) 1.0955 -DE/DX = 0.0 ! ! R26 R(14,23) 1.0989 -DE/DX = 0.0 ! ! R27 R(15,21) 1.0891 -DE/DX = 0.0 ! ! A1 A(2,1,4) 108.9919 -DE/DX = 0.0 ! ! A2 A(2,1,9) 114.2779 -DE/DX = 0.0 ! ! A3 A(2,1,15) 106.8888 -DE/DX = 0.0 ! ! A4 A(4,1,9) 127.1134 -DE/DX = 0.0 ! ! A5 A(4,1,15) 106.8151 -DE/DX = 0.0 ! ! A6 A(9,1,15) 88.4734 -DE/DX = 0.0 ! ! A7 A(1,2,3) 106.8825 -DE/DX = 0.0 ! ! A8 A(2,3,5) 109.887 -DE/DX = 0.0 ! ! A9 A(2,3,6) 109.7872 -DE/DX = 0.0 ! ! A10 A(2,3,7) 107.3905 -DE/DX = 0.0 ! ! A11 A(5,3,6) 110.0604 -DE/DX = 0.0 ! ! A12 A(5,3,7) 109.8868 -DE/DX = 0.0 ! ! A13 A(6,3,7) 109.7874 -DE/DX = 0.0 ! ! A14 A(1,4,7) 108.9929 -DE/DX = 0.0 ! ! A15 A(1,4,8) 127.1113 -DE/DX = 0.0 ! ! A16 A(1,4,12) 106.8175 -DE/DX = 0.0 ! ! A17 A(7,4,8) 114.2775 -DE/DX = 0.0 ! ! A18 A(7,4,12) 106.8861 -DE/DX = 0.0 ! ! A19 A(8,4,12) 88.4755 -DE/DX = 0.0 ! ! A20 A(3,5,19) 104.5077 -DE/DX = 0.0 ! ! A21 A(3,5,20) 104.499 -DE/DX = 0.0 ! ! A22 A(19,5,20) 60.4785 -DE/DX = 0.0 ! ! A23 A(3,7,4) 106.8822 -DE/DX = 0.0 ! ! A24 A(11,10,15) 118.4545 -DE/DX = 0.0 ! ! A25 A(11,10,16) 119.7791 -DE/DX = 0.0 ! ! A26 A(15,10,16) 120.2855 -DE/DX = 0.0 ! ! A27 A(10,11,12) 118.4535 -DE/DX = 0.0 ! ! A28 A(10,11,17) 119.7791 -DE/DX = 0.0 ! ! A29 A(12,11,17) 120.2862 -DE/DX = 0.0 ! ! A30 A(4,12,11) 98.972 -DE/DX = 0.0 ! ! A31 A(4,12,13) 93.7273 -DE/DX = 0.0 ! ! A32 A(4,12,18) 99.6492 -DE/DX = 0.0 ! ! A33 A(11,12,13) 120.2487 -DE/DX = 0.0 ! ! A34 A(11,12,18) 119.2228 -DE/DX = 0.0 ! ! A35 A(13,12,18) 115.5326 -DE/DX = 0.0 ! ! A36 A(12,13,14) 112.7311 -DE/DX = 0.0 ! ! A37 A(12,13,19) 109.494 -DE/DX = 0.0 ! ! A38 A(12,13,22) 107.6833 -DE/DX = 0.0 ! ! A39 A(14,13,19) 111.6644 -DE/DX = 0.0 ! ! A40 A(14,13,22) 109.2789 -DE/DX = 0.0 ! ! A41 A(19,13,22) 105.6695 -DE/DX = 0.0 ! ! A42 A(13,14,15) 112.7299 -DE/DX = 0.0 ! ! A43 A(13,14,20) 111.6654 -DE/DX = 0.0 ! ! A44 A(13,14,23) 109.2795 -DE/DX = 0.0 ! ! A45 A(15,14,20) 109.4901 -DE/DX = 0.0 ! ! A46 A(15,14,23) 107.6878 -DE/DX = 0.0 ! ! A47 A(20,14,23) 105.6688 -DE/DX = 0.0 ! ! A48 A(1,15,10) 98.9688 -DE/DX = 0.0 ! ! A49 A(1,15,14) 93.7167 -DE/DX = 0.0 ! ! A50 A(1,15,21) 99.6556 -DE/DX = 0.0 ! ! A51 A(10,15,14) 120.2529 -DE/DX = 0.0 ! ! A52 A(10,15,21) 119.2216 -DE/DX = 0.0 ! ! A53 A(14,15,21) 115.5329 -DE/DX = 0.0 ! ! A54 A(5,19,13) 123.5056 -DE/DX = 0.0 ! ! A55 A(5,20,14) 123.5196 -DE/DX = 0.0 ! ! D1 D(4,1,2,3) 5.6661 -DE/DX = 0.0 ! ! D2 D(9,1,2,3) 154.4569 -DE/DX = 0.0 ! ! D3 D(15,1,2,3) -109.4353 -DE/DX = 0.0 ! ! D4 D(2,1,4,7) -0.0004 -DE/DX = 0.0 ! ! D5 D(2,1,4,8) 143.6755 -DE/DX = 0.0 ! ! D6 D(2,1,4,12) -115.148 -DE/DX = 0.0 ! ! D7 D(9,1,4,7) -143.6788 -DE/DX = 0.0 ! ! D8 D(9,1,4,8) -0.0028 -DE/DX = 0.0 ! ! D9 D(9,1,4,12) 101.1737 -DE/DX = 0.0 ! ! D10 D(15,1,4,7) 115.1486 -DE/DX = 0.0 ! ! D11 D(15,1,4,8) -101.1755 -DE/DX = 0.0 ! ! D12 D(15,1,4,12) 0.001 -DE/DX = 0.0 ! ! D13 D(2,1,15,10) 173.0751 -DE/DX = 0.0 ! ! D14 D(2,1,15,14) 51.6502 -DE/DX = 0.0 ! ! D15 D(2,1,15,21) -65.0419 -DE/DX = 0.0 ! ! D16 D(4,1,15,10) 56.5207 -DE/DX = 0.0 ! ! D17 D(4,1,15,14) -64.9042 -DE/DX = 0.0 ! ! D18 D(4,1,15,21) 178.4037 -DE/DX = 0.0 ! ! D19 D(9,1,15,10) -71.9793 -DE/DX = 0.0 ! ! D20 D(9,1,15,14) 166.5958 -DE/DX = 0.0 ! ! D21 D(9,1,15,21) 49.9037 -DE/DX = 0.0 ! ! D22 D(1,2,3,5) 110.4241 -DE/DX = 0.0 ! ! D23 D(1,2,3,6) -128.3916 -DE/DX = 0.0 ! ! D24 D(1,2,3,7) -9.0717 -DE/DX = 0.0 ! ! D25 D(2,3,5,19) -90.3246 -DE/DX = 0.0 ! ! D26 D(2,3,5,20) -27.6348 -DE/DX = 0.0 ! ! D27 D(6,3,5,19) 148.6552 -DE/DX = 0.0 ! ! D28 D(6,3,5,20) -148.655 -DE/DX = 0.0 ! ! D29 D(7,3,5,19) 27.6348 -DE/DX = 0.0 ! ! D30 D(7,3,5,20) 90.3247 -DE/DX = 0.0 ! ! D31 D(2,3,7,4) 9.0714 -DE/DX = 0.0 ! ! D32 D(5,3,7,4) -110.4244 -DE/DX = 0.0 ! ! D33 D(6,3,7,4) 128.3912 -DE/DX = 0.0 ! ! D34 D(1,4,7,3) -5.6656 -DE/DX = 0.0 ! ! D35 D(8,4,7,3) -154.4535 -DE/DX = 0.0 ! ! D36 D(12,4,7,3) 109.4377 -DE/DX = 0.0 ! ! D37 D(1,4,12,11) -56.5244 -DE/DX = 0.0 ! ! D38 D(1,4,12,13) 64.8992 -DE/DX = 0.0 ! ! D39 D(1,4,12,18) -178.4076 -DE/DX = 0.0 ! ! D40 D(7,4,12,11) -173.0798 -DE/DX = 0.0 ! ! D41 D(7,4,12,13) -51.6562 -DE/DX = 0.0 ! ! D42 D(7,4,12,18) 65.037 -DE/DX = 0.0 ! ! D43 D(8,4,12,11) 71.9748 -DE/DX = 0.0 ! ! D44 D(8,4,12,13) -166.6017 -DE/DX = 0.0 ! ! D45 D(8,4,12,18) -49.9085 -DE/DX = 0.0 ! ! D46 D(3,5,19,13) 72.6271 -DE/DX = 0.0 ! ! D47 D(20,5,19,13) -26.0384 -DE/DX = 0.0 ! ! D48 D(3,5,20,14) -72.6528 -DE/DX = 0.0 ! ! D49 D(19,5,20,14) 26.0275 -DE/DX = 0.0 ! ! D50 D(15,10,11,12) -0.0011 -DE/DX = 0.0 ! ! D51 D(15,10,11,17) 166.16 -DE/DX = 0.0 ! ! D52 D(16,10,11,12) -166.1631 -DE/DX = 0.0 ! ! D53 D(16,10,11,17) -0.002 -DE/DX = 0.0 ! ! D54 D(11,10,15,1) -65.2454 -DE/DX = 0.0 ! ! D55 D(11,10,15,14) 34.4275 -DE/DX = 0.0 ! ! D56 D(11,10,15,21) -171.6755 -DE/DX = 0.0 ! ! D57 D(16,10,15,1) 100.8443 -DE/DX = 0.0 ! ! D58 D(16,10,15,14) -159.4828 -DE/DX = 0.0 ! ! D59 D(16,10,15,21) -5.5858 -DE/DX = 0.0 ! ! D60 D(10,11,12,4) 65.253 -DE/DX = 0.0 ! ! D61 D(10,11,12,13) -34.4334 -DE/DX = 0.0 ! ! D62 D(10,11,12,18) 171.6779 -DE/DX = 0.0 ! ! D63 D(17,11,12,4) -100.8356 -DE/DX = 0.0 ! ! D64 D(17,11,12,13) 159.4779 -DE/DX = 0.0 ! ! D65 D(17,11,12,18) 5.5892 -DE/DX = 0.0 ! ! D66 D(4,12,13,14) -70.0196 -DE/DX = 0.0 ! ! D67 D(4,12,13,19) 54.9335 -DE/DX = 0.0 ! ! D68 D(4,12,13,22) 169.3636 -DE/DX = 0.0 ! ! D69 D(11,12,13,14) 32.6251 -DE/DX = 0.0 ! ! D70 D(11,12,13,19) 157.5782 -DE/DX = 0.0 ! ! D71 D(11,12,13,22) -87.9917 -DE/DX = 0.0 ! ! D72 D(18,12,13,14) -172.5682 -DE/DX = 0.0 ! ! D73 D(18,12,13,19) -47.6151 -DE/DX = 0.0 ! ! D74 D(18,12,13,22) 66.815 -DE/DX = 0.0 ! ! D75 D(12,13,14,15) -0.0151 -DE/DX = 0.0 ! ! D76 D(12,13,14,20) 123.7405 -DE/DX = 0.0 ! ! D77 D(12,13,14,23) -119.7192 -DE/DX = 0.0 ! ! D78 D(19,13,14,15) -123.7761 -DE/DX = 0.0 ! ! D79 D(19,13,14,20) -0.0205 -DE/DX = 0.0 ! ! D80 D(19,13,14,23) 116.5198 -DE/DX = 0.0 ! ! D81 D(22,13,14,15) 119.6838 -DE/DX = 0.0 ! ! D82 D(22,13,14,20) -116.5606 -DE/DX = 0.0 ! ! D83 D(22,13,14,23) -0.0203 -DE/DX = 0.0 ! ! D84 D(12,13,19,5) -101.4771 -DE/DX = 0.0 ! ! D85 D(14,13,19,5) 24.0916 -DE/DX = 0.0 ! ! D86 D(22,13,19,5) 142.8034 -DE/DX = 0.0 ! ! D87 D(13,14,15,1) 70.0339 -DE/DX = 0.0 ! ! D88 D(13,14,15,10) -32.6013 -DE/DX = 0.0 ! ! D89 D(13,14,15,21) 172.5844 -DE/DX = 0.0 ! ! D90 D(20,14,15,1) -54.9167 -DE/DX = 0.0 ! ! D91 D(20,14,15,10) -157.5519 -DE/DX = 0.0 ! ! D92 D(20,14,15,21) 47.6338 -DE/DX = 0.0 ! ! D93 D(23,14,15,1) -169.3464 -DE/DX = 0.0 ! ! D94 D(23,14,15,10) 88.0184 -DE/DX = 0.0 ! ! D95 D(23,14,15,21) -66.7959 -DE/DX = 0.0 ! ! D96 D(13,14,20,5) -24.0656 -DE/DX = 0.0 ! ! D97 D(15,14,20,5) 101.4994 -DE/DX = 0.0 ! ! D98 D(23,14,20,5) -142.7781 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 1|1| IMPERIAL COLLEGE-CHWS-272|Freq|RB3LYP|6-31G(d)|C9H12O2|JAG115|17- Nov-2017|0||#N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-3 1G(d) Freq||Title Card Required||0,1|C,0.758504,-0.694531,-0.971068|O, 1.815882,-1.147917,-0.185857|C,2.404057,-0.000057,0.418696|C,0.75851,0 .69469,-0.970919|H,2.1998,-0.000171,1.498211|H,3.487479,-0.000038,0.24 0386|O,1.815881,1.147922,-0.185608|H,0.506248,1.344767,-1.792061|H,0.5 06202,-1.344461,-1.792316|C,-2.1097,-0.703736,-0.726715|C,-2.109578,0. 704018,-0.726612|C,-1.193917,1.36452,0.078351|C,-0.792332,0.778928,1.4 16786|C,-0.792258,-0.77925,1.416604|C,-1.194144,-1.364536,0.078129|H,- 2.649432,-1.244145,-1.501985|H,-2.649189,1.244634,-1.501821|H,-1.08843 2,2.44469,-0.012087|H,0.181002,1.183383,1.715559|H,0.181211,-1.183699, 1.714932|H,-1.088848,-2.444708,-0.012524|H,-1.507688,1.141623,2.167966 |H,-1.50731,-1.142198,2.16795||Version=EM64W-G09RevD.01|State=1-A|HF=- 500.488669|RMSD=3.852e-009|RMSF=2.040e-006|ZeroPoint=0.1939402|Thermal =0.2032602|Dipole=0.114489,0.0000201,-0.0984915|DipoleDeriv=0.7732664, -0.2543547,0.113412,-0.5450793,0.1428021,-0.0064506,0.5185635,0.074790 6,0.1211658,-1.0963573,0.1975367,-0.2299324,0.0896626,-0.5138809,-0.13 51001,-0.6342136,0.0283457,-0.4253523,1.0763387,-0.0000216,0.1344374,0 .0000205,0.5784577,-0.000037,0.4704245,-0.0000125,0.7104674,0.7731799, 0.2543026,0.1134448,0.5450233,0.1428135,0.0064444,0.5186586,-0.0748003 ,0.1211918,-0.0119725,-0.0000095,0.0722009,0.000003,0.0023939,0.000023 6,-0.079346,0.0000225,-0.2024912,-0.2977146,0.0000018,-0.0030224,-0.00 00117,0.0560404,0.0000065,0.0226373,0.0000044,0.0066661,-1.096185,-0.1 974653,-0.2300049,-0.0895318,-0.5138938,0.1350897,-0.6341373,-0.028364 1,-0.4253441,-0.0513633,-0.0251359,-0.0023617,-0.0128316,0.0721227,0.0 311908,0.0036818,0.0670495,0.0037457,-0.0513742,0.025144,-0.0023516,0. 0128,0.0721533,-0.0311632,0.0037053,-0.0670337,0.0037377,-0.2424335,-0 .0826292,0.1428425,0.0496506,-0.0182722,0.0043396,0.1005683,0.2328849, -0.0367258,-0.2426129,0.0826468,0.1428673,-0.0495832,-0.0183123,-0.004 3717,0.1005141,-0.232937,-0.036771,0.101905,-0.0857495,-0.0386243,0.01 05089,0.1298573,-0.0104606,-0.0908593,0.1438049,0.13885,0.1521216,0.06 73209,0.0106523,-0.0090018,-0.0195753,0.0216498,-0.0327111,0.0276451,0 .0743031,0.1520693,-0.0673031,0.0105953,0.0089959,-0.019562,-0.0216528 ,-0.0327911,-0.0276483,0.0743078,0.101809,0.0857456,-0.0385428,-0.0105 818,0.1298788,0.0104819,-0.0908029,-0.1437793,0.1387855,0.0376316,-0.0 278372,-0.0753056,-0.0562619,0.007165,-0.0598345,-0.1370321,-0.0872178 ,-0.0390632,0.0376587,0.0278283,-0.0752875,0.0562717,0.0071297,0.05985 32,-0.1370036,0.087251,-0.039051,0.0532552,0.0266444,-0.0115804,-0.000 262,-0.1443195,0.0197487,0.0008494,-0.0033794,0.0098076,-0.0779669,-0. 0858497,-0.1069748,-0.0423635,-0.0026747,-0.0058774,-0.0359801,-0.0131 874,0.0167295,-0.0779844,0.0858674,-0.1069348,0.0423671,-0.0026683,0.0 058293,-0.0359365,0.0131525,0.0167769,0.0532308,-0.0266807,-0.0115996, 0.0002222,-0.1443255,-0.0197804,0.0008542,0.0033493,0.0098118,-0.03329 35,0.0552614,0.0960539,0.0253906,0.0283522,-0.0141353,0.1001731,-0.102 7677,-0.1207502,-0.0332082,-0.0552636,0.0960166,-0.0254077,0.0283178,0 .014206,0.1001834,0.1028271,-0.1207978|Polar=121.1863322,-0.0003906,96 .5769413,6.4013296,-0.0004866,86.0901303|PG=C01 [X(C9H12O2)]|NImag=1|| 0.26317056,-0.02266359,0.67742488,0.23120103,0.19340277,0.45429942,-0. 13257302,0.07479128,-0.09694122,0.27919394,0.04232520,-0.10976933,0.00 871044,-0.02690772,0.35031573,-0.08206648,0.03478241,-0.10627469,0.180 88529,0.01575683,0.22255192,-0.03086093,-0.01978170,-0.02996279,-0.103 40142,-0.01392559,-0.02835492,0.64639391,-0.04808620,0.00865410,-0.024 69280,-0.02200872,-0.13637909,-0.03976577,-0.00000481,0.36026439,-0.02 258196,-0.01410858,-0.02646064,-0.03234161,-0.02317463,-0.10320431,-0. 00461550,-0.00003275,0.61533569,-0.05365677,-0.05702785,-0.00220308,-0 .03634460,0.02367454,-0.03788622,-0.03086201,0.04809125,-0.02257268,0. 26316351,0.05701297,-0.32941214,-0.02054844,0.02191111,-0.04300785,0.0 2966326,0.01978753,0.00864362,0.01411611,0.02263543,0.67749092,-0.0021 9213,0.02050346,-0.08815918,-0.02565048,0.01496950,-0.00535150,-0.0299 5967,0.02469894,-0.02645339,0.23120705,-0.19336799,0.45423145,0.000764 46,-0.00122788,-0.00003605,0.00597118,-0.00551942,-0.02201984,-0.07722 277,-0.00000671,0.06587046,0.00076485,0.00122798,-0.00003564,0.0727279 1,0.00754292,-0.00379267,-0.00115017,-0.00944346,-0.00882083,-0.034659 27,-0.00000558,-0.04508274,0.00002490,-0.00754361,-0.00379328,0.001149 48,0.00000556,0.06224409,0.00256748,-0.00237021,0.00085383,-0.00667649 ,-0.01424994,-0.01248080,0.05782156,0.00002504,-0.28433375,0.00256557, 0.00236946,0.00085437,-0.05331535,-0.00002716,0.31399645,-0.00059579,- 0.00073325,0.00209286,-0.00892272,-0.01146093,-0.00711288,-0.29382494, -0.00000599,0.05422709,-0.00059570,0.00073300,0.00209330,-0.00615328,- 0.00000039,0.00374119,0.31976323,0.00149164,-0.00420448,0.00395853,-0. 03389248,-0.00349025,-0.00808251,-0.00000662,-0.05090389,0.00000241,-0 .00149133,-0.00420350,-0.00395921,-0.00000331,0.00692133,0.00000124,0. 00000471,0.05898504,-0.00124591,-0.00134341,-0.00096273,-0.02117763,-0 .00522642,0.00542027,0.06126958,0.00000249,-0.07257571,-0.00124656,0.0 0134272,-0.00096325,0.03178990,0.00000123,-0.00495770,-0.04745429,-0.0 0000125,0.06919484,-0.03634205,-0.02189870,-0.02565582,0.02207593,0.01 440560,0.01469621,-0.10340450,0.02202256,-0.03234042,-0.13257349,-0.07 477532,-0.09695914,0.00597152,0.00944475,-0.00667453,-0.00892314,0.033 89715,-0.02117059,0.27920039,-0.02366389,-0.04299642,-0.01497691,-0.01 440962,-0.05885324,-0.01103907,0.01393751,-0.13640137,0.02317246,-0.04 230800,-0.10975767,-0.00871010,0.00552409,-0.00883125,0.01425162,0.011 46298,-0.00349334,0.00522457,0.02686161,0.35032765,-0.03788862,-0.0296 6795,-0.00536243,0.01469263,0.01102414,0.00864728,-0.02835633,0.039764 65,-0.10319476,-0.08207307,-0.03478373,-0.10628528,-0.02201966,0.03466 108,-0.01247073,-0.00711094,0.00808091,0.00542365,0.18089719,-0.015736 36,0.22254714,0.00383448,0.00886698,0.00077192,0.00378865,-0.00089780, -0.00063773,-0.00140366,-0.00473540,-0.00436521,-0.03806666,0.02286656 ,-0.06177967,-0.00059661,0.00119429,-0.00043325,-0.00037342,0.00097440 ,-0.00040062,-0.01414151,0.01698464,-0.02129135,0.06229534,0.00882335, -0.00775412,0.02023152,-0.00007704,-0.00332676,0.00162302,-0.00213057, -0.00312776,-0.00224678,0.03821860,-0.17098504,0.15596974,-0.00017980, 0.00075405,-0.00026586,0.00013822,-0.00003474,-0.00004880,-0.00599461, 0.01093314,-0.01305343,-0.04358321,0.17189736,0.00214650,-0.00959957,0 .00663173,-0.00104559,-0.00189357,0.00223815,0.00022901,-0.00285241,-0 .00110937,-0.07745380,0.16235690,-0.21807338,-0.00037685,0.00083137,-0 .00049298,0.00013838,-0.00036043,0.00002946,-0.00737046,0.00787971,-0. 01141285,0.07472994,-0.15679204,0.22789248,-0.03807121,-0.02286272,-0. 06179128,-0.01414179,-0.01698026,-0.02129365,-0.00140371,0.00473628,-0 .00436377,0.00383506,-0.00886569,0.00077047,-0.00059654,-0.00119407,-0 .00043349,-0.00037346,-0.00097440,-0.00040090,0.00378860,0.00089789,-0 .00063759,-0.00130320,0.00058290,0.00106962,0.06229683,-0.03821154,-0. 17092876,-0.15595885,0.00599620,0.01093258,0.01305773,0.00213096,-0.00 312876,0.00224663,-0.00882378,-0.00774975,-0.02023334,0.00017991,0.000 75417,0.00026601,-0.00013826,-0.00003476,0.00004877,0.00007688,-0.0033 2668,-0.00162408,-0.00058303,0.00014625,0.00090760,0.04357549,0.171839 79,-0.07746978,-0.16234550,-0.21812541,-0.00736820,-0.00787571,-0.0114 1145,0.00022894,0.00285175,-0.00110829,0.00214464,0.00959584,0.0066293 5,-0.00037686,-0.00083111,-0.00049297,0.00013843,0.00036044,0.00002957 ,-0.00104561,0.00189267,0.00223827,0.00106952,-0.00090747,-0.00071856, 0.07474868,0.15678018,0.22794062,-0.03267037,-0.02424668,0.01004000,0. 00206487,0.00176294,0.00101675,-0.00008170,-0.00379440,0.00142346,-0.0 0722715,0.01764995,0.00356216,0.00015823,0.00052180,-0.00047134,-0.000 58193,0.00048914,-0.00052090,-0.00608557,-0.00110284,-0.00399824,0.002 08965,-0.00037304,-0.00122839,0.00267399,0.00187209,-0.00389920,0.3932 7865,0.03258812,0.04199770,-0.01518430,0.00101549,-0.00251139,0.002019 36,0.00038762,-0.00139563,-0.00125325,0.02921115,-0.04381257,-0.016044 87,-0.00041155,0.00015549,0.00077544,0.00046909,0.00020274,0.00061732, -0.00332397,0.00297721,0.00163175,-0.00533401,0.00215523,0.00509694,-0 .00643094,-0.00177847,0.00487491,-0.01320092,0.65396595,-0.01353360,-0 .02214237,0.00604241,0.00220016,0.00209633,0.00054343,0.00002140,-0.00 030912,-0.00009284,-0.01010067,0.01943231,0.00830124,0.00034858,0.0002 2451,-0.00021874,-0.00002477,0.00013322,-0.00003488,0.00135411,-0.0016 2370,-0.00152990,0.00110232,-0.00060071,-0.00145487,0.00537989,0.00151 941,-0.00091433,0.28754438,0.04434709,0.47240115,-0.00722906,-0.017660 01,0.00356049,-0.00608866,0.00110466,-0.00400018,-0.00008121,0.0037955 5,0.00142521,-0.03268502,0.02425729,0.01005255,0.00015816,-0.00052192, -0.00047176,-0.00058218,-0.00048915,-0.00052119,0.00206540,-0.00176424 ,0.00101544,0.00267493,-0.00187200,-0.00390125,0.00209038,0.00037356,- 0.00122862,-0.07456211,0.01636673,-0.03436824,0.39327852,-0.02920345,- 0.04380950,0.01602873,0.00332085,0.00297695,-0.00163063,-0.00038784,-0 .00139372,0.00125237,-0.03258794,0.04198981,0.01519708,0.00041148,0.00 015542,-0.00077517,-0.00046895,0.00020276,-0.00061713,-0.00101014,-0.0 0251012,-0.00201939,0.00642933,-0.00177677,-0.00487570,0.00533382,0.00 215593,-0.00509541,-0.01640674,-0.31048069,-0.03293849,0.01321231,0.65 397024,-0.01010276,-0.01944235,0.00829907,0.00135301,0.00162477,-0.001 53092,0.00002143,0.00031045,-0.00009284,-0.01354207,0.02215177,0.00605 387,0.00034850,-0.00022461,-0.00021885,-0.00002482,-0.00013334,-0.0000 3496,0.00220338,-0.00209758,0.00054240,0.00538187,-0.00151950,-0.00091 555,0.00110277,0.00060122,-0.00145518,-0.03436564,0.03291533,-0.103722 80,0.28754116,-0.04436998,0.47240842,0.02609752,0.06380475,-0.01702797 ,-0.00195966,-0.00480920,0.00472230,-0.00083840,-0.00118228,-0.0015541 8,0.05526269,-0.07106883,-0.03388456,-0.00013270,0.00004175,0.00086633 ,0.00067872,0.00049820,0.00058203,-0.00994094,0.00524608,0.00324235,-0 .01437925,0.00496488,0.00977832,-0.00645597,-0.00239263,0.00492635,0.0 1648395,-0.07074338,0.02138731,-0.17079816,-0.04472270,-0.12136437,0.2 5906369,0.00561601,-0.00390452,-0.00364198,-0.00227868,-0.00009050,-0. 00118046,0.00029602,0.00019135,0.00031820,-0.00734859,-0.01098114,0.00 662579,0.00007019,-0.00020937,-0.00010361,-0.00023128,-0.00002795,-0.0 0001679,-0.00235469,0.00129243,0.00033910,-0.00238392,0.00197469,0.000 82788,0.00044133,-0.00061040,0.00054731,-0.01940063,-0.03646926,-0.018 15716,-0.10429420,-0.17032155,-0.07948094,0.14181223,0.66543715,0.0024 7153,-0.00380188,-0.00039439,-0.00292300,0.00087669,-0.00166687,-0.000 34136,0.00145272,0.00167078,-0.00557958,0.00723138,-0.00595090,-0.0005 1496,0.00004445,-0.00007192,-0.00042091,0.00010063,-0.00030104,-0.0021 6026,-0.00087934,-0.00178457,0.00666586,-0.00252467,-0.00366846,0.0000 5158,0.00003652,0.00023141,0.00412229,-0.02093513,0.01047323,-0.143047 04,-0.06591789,-0.19240559,0.21634926,0.01096966,0.46160946,-0.0027117 0,-0.00758084,0.00348779,-0.00092417,-0.00006781,-0.00144629,-0.000036 78,0.00023332,0.00240507,-0.00600537,0.00812136,0.01308204,-0.00045205 ,0.00053212,-0.00080298,-0.00001144,-0.00011400,-0.00047880,-0.0020201 7,-0.00090350,-0.00210554,0.00005874,0.00012006,-0.00046265,0.00063162 ,0.00013412,-0.00065168,-0.00635007,0.00795037,-0.00072766,-0.01076891 ,-0.00037282,-0.02607142,-0.06764225,0.00789179,-0.03222730,0.57817149 ,-0.00026194,0.00041218,0.00030612,0.00015521,-0.00059355,0.00010043,0 .00025569,0.00082570,0.00052349,0.00197613,0.00040389,-0.00235115,-0.0 0008565,0.00023013,-0.00015366,0.00001538,0.00003409,-0.00012093,-0.00 068898,0.00002126,-0.00054271,0.00029033,-0.00020179,-0.00012262,-0.00 025905,-0.00010096,0.00014736,0.00457353,-0.00501923,0.00215336,0.0025 7997,0.01865090,-0.00973162,0.00193984,-0.10694873,0.03498258,0.023185 54,0.46049338,0.00140071,0.00387448,-0.00091575,-0.00042318,-0.0005523 5,0.00022083,0.00023690,0.00001176,0.00093298,0.01246522,-0.00419181,- 0.01317194,0.00019739,0.00006125,-0.00048865,0.00008667,0.00009739,-0. 00025327,-0.00379245,-0.00015322,-0.00127244,-0.00000374,-0.00002649,0 .00018476,-0.00059092,-0.00004756,0.00033100,0.00073472,0.00238160,0.0 0174586,-0.00793448,0.00517262,-0.01962797,-0.04440914,0.04238212,-0.1 6720596,-0.00478278,0.03932904,0.50016782,-0.00600275,-0.00812551,0.01 307354,-0.00202561,0.00090409,-0.00210414,-0.00003648,-0.00023268,0.00 240581,-0.00271293,0.00758008,0.00349175,-0.00045198,-0.00053192,-0.00 080349,-0.00001134,0.00011407,-0.00047905,-0.00092369,0.00006805,-0.00 144722,0.00063161,-0.00013406,-0.00065183,0.00005991,-0.00011965,-0.00 046314,-0.01077119,0.00038267,-0.02607091,-0.00635169,-0.00795133,-0.0 0072931,0.00650138,0.00878236,0.00469332,-0.07917029,0.00010053,-0.004 85511,0.57815644,-0.00197824,0.00040330,0.00235352,0.00068966,0.000021 37,0.00054294,-0.00025604,0.00082588,-0.00052349,0.00026201,0.00041254 ,-0.00030683,0.00008546,0.00023010,0.00015414,-0.00001542,0.00003405,0 .00012118,-0.00015551,-0.00059356,-0.00010068,0.00025917,-0.00010093,- 0.00014747,-0.00029027,-0.00020172,0.00012255,-0.00257340,0.01865058,0 .00974286,-0.00457338,-0.00501769,-0.00215598,0.00481023,-0.01659883,0 .01526161,-0.00008465,-0.16027571,-0.00537956,-0.02318913,0.46051745,0 .01246893,0.00419815,-0.01317363,-0.00379331,0.00015344,-0.00127255,0. 00023668,-0.00001192,0.00093199,0.00140228,-0.00387686,-0.00091884,0.0 0019793,-0.00006074,-0.00048853,0.00008675,-0.00009737,-0.00025319,-0. 00042378,0.00055246,0.00022226,-0.00059111,0.00004758,0.00033125,-0.00 000451,0.00002609,0.00018530,-0.00793676,-0.00516777,-0.01961749,0.000 73593,-0.00237948,0.00174548,0.00059869,0.02882011,0.00440931,-0.00486 058,0.00535763,-0.07545067,-0.00482993,-0.03933510,0.50016326,0.055244 62,0.07105685,-0.03385248,-0.00992930,-0.00524496,0.00324024,-0.000838 02,0.00117895,-0.00155428,0.02610114,-0.06378785,-0.01704395,-0.000132 73,-0.00004160,0.00086625,0.00067864,-0.00049791,0.00058196,-0.0019641 3,0.00480719,0.00472150,-0.00645512,0.00239152,0.00492655,-0.01437632, -0.00496605,0.00977393,-0.17077711,0.04474676,-0.12134495,0.01649651,0 .07072677,0.02139896,-0.05321125,-0.00646966,-0.00609262,0.00650089,-0 .00481455,0.00060039,-0.06765701,-0.00194447,-0.04442973,0.25905193,0. 00734433,-0.01098299,-0.00662220,0.00235324,0.00129329,-0.00034033,-0. 00029556,0.00019189,-0.00031777,-0.00561713,-0.00389615,0.00364327,-0. 00007012,-0.00020947,0.00010328,0.00023114,-0.00002798,0.00001663,0.00 227907,-0.00009116,0.00117990,-0.00044090,-0.00061059,-0.00054806,0.00 238282,0.00197447,-0.00082652,0.10431804,-0.17037259,0.07950077,0.0193 9105,-0.03648956,0.01814599,0.00647685,-0.00526165,0.00480676,-0.00879 718,-0.01659034,-0.02882236,-0.00789726,-0.10693446,-0.04236320,-0.141 77156,0.66547639,-0.00557497,-0.00722856,-0.00594814,-0.00215498,0.000 88036,-0.00178713,-0.00034185,-0.00145348,0.00166929,0.00247014,0.0037 9829,-0.00039327,-0.00051538,-0.00004460,-0.00007145,-0.00042080,-0.00 010062,-0.00030074,-0.00292120,-0.00087591,-0.00166600,0.00005136,-0.0 0003677,0.00023147,0.00666272,0.00252453,-0.00366572,-0.14301056,0.065 93916,-0.19237471,0.00412670,0.02092796,0.01048095,-0.00609446,-0.0048 0631,-0.00543013,0.00469158,-0.01526336,0.00439964,-0.03224692,-0.0349 7106,-0.16721002,0.21633926,-0.01096040,0.46158055,-0.00153054,-0.0026 8280,0.00072598,-0.00016486,0.00042276,-0.00013604,0.00007170,0.000161 77,-0.00005001,-0.00126197,0.00275055,0.00093872,0.00000408,-0.0000357 5,0.00004262,-0.00004538,-0.00000679,0.00001276,0.00034660,-0.00038258 ,0.00001241,0.00023967,-0.00018521,-0.00025345,0.00007500,0.00012903,0 .00002299,-0.11273706,-0.06042986,-0.10791234,0.00251978,-0.00215087,0 .00159697,0.00605893,0.00082183,-0.00280418,-0.00062235,0.00004111,0.0 0072721,0.00207461,0.00398527,-0.00097526,-0.00243852,-0.01207134,-0.0 1683805,0.11151923,0.00045424,0.00020448,-0.00033614,-0.00025114,0.000 05799,-0.00006743,0.00008561,-0.00003254,0.00015269,0.00047148,-0.0002 0343,0.00003286,-0.00000871,-0.00000836,-0.00002707,-0.00001904,-0.000 00719,-0.00001457,-0.00010129,0.00000135,-0.00008553,-0.00012645,-0.00 002544,-0.00002207,-0.00006897,0.00010944,0.00011190,-0.06350080,-0.12 568931,-0.09985789,-0.01778936,-0.01142874,-0.02421410,0.00188196,-0.0 0566167,0.00152164,0.00024895,-0.00026336,0.00036345,0.00316362,-0.000 87318,0.00079763,0.00714558,0.01070290,0.01402249,0.07069635,0.1312374 1,0.00149408,0.00188769,-0.00089492,-0.00032267,-0.00017453,0.00001995 ,0.00010551,0.00010846,-0.00005266,0.00077218,-0.00171906,-0.00053887, 0.00003147,0.00002312,0.00004082,-0.00002732,-0.00003059,0.00003292,-0 .00007394,0.00022858,0.00017655,-0.00015098,0.00006553,0.00012182,-0.0 0046543,-0.00015971,0.00014206,-0.11029622,-0.10337035,-0.18630933,0.0 0051409,0.00440044,0.00202340,-0.00288285,-0.00019103,0.00299701,0.000 60221,0.00080291,-0.00023269,-0.00660100,0.00060876,0.00154649,-0.0093 4455,-0.01002510,-0.01067461,0.12173731,0.10712120,0.19391077,-0.00126 236,-0.00275139,0.00093787,0.00034624,0.00038262,0.00001253,0.00007168 ,-0.00016157,-0.00005005,-0.00153129,0.00268359,0.00072700,0.00000412, 0.00003571,0.00004264,-0.00004537,0.00000676,0.00001276,-0.00016450,-0 .00042289,-0.00013602,0.00007510,-0.00012906,0.00002299,0.00023979,0.0 0018528,-0.00025345,0.00252292,0.00214915,0.00160142,-0.11270754,0.060 43873,-0.10788513,-0.00243522,0.01207643,-0.01683950,0.00207183,-0.003 98581,-0.00097525,-0.00062241,-0.00004106,0.00072773,0.00605832,-0.000 82375,-0.00280474,-0.00201809,0.00008355,0.00199775,0.11148606,-0.0004 7121,-0.00020311,-0.00003302,0.00010129,0.00000127,0.00008553,-0.00008 561,-0.00003249,-0.00015267,-0.00045415,0.00020415,0.00033629,0.000008 69,-0.00000836,0.00002705,0.00001905,-0.00000719,0.00001455,0.00025113 ,0.00005797,0.00006737,0.00006896,0.00010954,-0.00011193,0.00012644,-0 .00002546,0.00002209,0.01778620,-0.01143570,0.02421240,0.06351081,-0.1 2573999,0.09988844,-0.00714107,0.01070284,-0.01401618,-0.00316328,-0.0 0087161,-0.00079820,-0.00024890,-0.00026315,-0.00036370,-0.00188389,-0 .00566058,-0.00152240,-0.00008322,0.00127224,-0.00046771,-0.07070714,0 .13129282,0.00077225,0.00171957,-0.00053835,-0.00007359,-0.00022867,0. 00017659,0.00010550,-0.00010859,-0.00005272,0.00149462,-0.00188812,-0. 00089583,0.00003146,-0.00002310,0.00004081,-0.00002732,0.00003060,0.00 003292,-0.00032296,0.00017461,0.00002000,-0.00046561,0.00015973,0.0001 4209,-0.00015100,-0.00006556,0.00012182,0.00051605,-0.00440320,0.00202 651,-0.11026817,0.10340210,-0.18628592,-0.00934439,0.01003005,-0.01067 489,-0.00660120,-0.00060808,0.00154475,0.00060213,-0.00080310,-0.00023 347,-0.00288281,0.00019041,0.00299688,0.00199775,0.00046758,-0.0004430 9,0.12170693,-0.10715474,0.19388688,-0.00144061,-0.00189222,0.00122041 ,0.00011985,0.00012049,-0.00005469,0.00014592,0.00025760,0.00002991,-0 .00087066,0.00782685,0.00069699,0.00004295,-0.00001277,-0.00005154,-0. 00000152,-0.00004056,-0.00000873,0.00007652,-0.00120373,-0.00042297,0. 00066073,-0.00021402,-0.00004220,0.00012905,0.00022890,-0.00015508,-0. 00009837,0.00071183,-0.00786396,0.00172002,-0.02569023,0.00247768,-0.0 4248110,-0.02514543,-0.00903774,0.00214674,0.00714572,0.00072003,0.000 89908,0.00238257,-0.00087571,0.00035424,0.00158774,-0.00066934,0.00034 626,-0.00159179,-0.00017480,-0.00222646,0.00095061,0.00314607,0.040044 73,-0.00025359,0.00009523,-0.00042386,0.00014509,0.00027158,-0.0001350 1,-0.00009349,-0.00021388,0.00004031,-0.00083586,-0.00152820,0.0002505 2,-0.00005891,0.00002594,-0.00000873,0.00004373,0.00000993,-0.00001006 ,0.00092793,0.00075606,0.00042428,0.00034149,0.00003634,-0.00061825,0. 00003865,-0.00005541,0.00002001,-0.00302053,0.00054258,-0.00094096,0.0 0139190,-0.01107773,0.00307247,-0.03327405,-0.32794868,0.02611486,-0.0 0117382,-0.00861606,-0.00148729,0.00051067,0.00071830,0.00161133,-0.00 000041,0.00047047,0.00032568,0.00000349,-0.00064056,0.00017889,0.00058 218,0.00088167,-0.00103852,0.03454115,0.34654064,0.00094719,0.00177563 ,-0.00108190,0.00013619,-0.00030851,0.00035804,-0.00015565,0.00009624, -0.00047196,0.00068816,-0.00544706,-0.00074195,0.00001330,0.00000963,0 .00016220,0.00003327,0.00001136,0.00009179,0.00023376,0.00058431,0.000 49628,-0.00023788,-0.00002384,0.00004440,-0.00013777,-0.00017969,0.000 16369,-0.00460403,-0.00235380,0.00204104,0.00007393,-0.01833327,0.0037 0234,-0.00878305,0.02497649,-0.05107362,0.00176662,0.02908454,0.000003 64,-0.00193100,-0.00106380,-0.00546447,-0.00116222,-0.00134771,-0.0008 4479,-0.00020594,-0.00079682,0.00020553,0.00251311,-0.00018874,-0.0011 1478,0.00999737,-0.02794041,0.05226912,-0.00038273,-0.00002004,-0.0004 9191,0.00051283,0.00000743,0.00046878,-0.00142749,0.00100559,0.0000178 7,-0.00177023,-0.00021467,0.00089127,-0.00041578,0.00021037,0.00038110 ,0.00006267,-0.00002638,0.00018545,0.00096481,0.00029879,0.00145728,0. 00010671,-0.00010473,-0.00010464,0.00006739,0.00000007,-0.00005861,0.0 0014396,0.00055364,0.00038671,-0.00024441,0.00210571,-0.00094355,-0.00 625257,-0.00242764,-0.00333733,-0.25761119,-0.08427361,-0.06171323,0.0 0353360,0.00193068,0.00220649,0.00027844,0.00064271,0.00013536,-0.0000 2724,-0.00007831,0.00001923,0.00021216,-0.00037120,-0.00058756,0.00039 477,0.00025572,-0.00036485,0.28097002,-0.00044378,0.00048695,-0.000630 91,0.00064322,0.00015486,0.00064226,0.00017646,-0.00027918,-0.00204776 ,-0.00061789,-0.00036605,-0.00068758,0.00051699,-0.00036323,0.00067864 ,-0.00002767,0.00000240,0.00045435,0.00067491,-0.00034422,0.00102377,0 .00002887,-0.00003705,0.00007029,0.00006032,-0.00005366,0.00005362,0.0 0070837,-0.00115078,0.00018625,0.00058390,0.00102028,0.00330105,0.0113 5283,0.00636150,0.00044016,-0.08344366,-0.08500058,-0.02440537,-0.0257 1133,-0.01131814,-0.00751595,-0.00074591,-0.00326628,0.00188758,0.0000 6295,0.00011380,-0.00011549,0.00002438,0.00028881,0.00060444,0.0000504 7,0.00036938,-0.00061232,0.08797257,0.09230528,-0.00054246,-0.00050000 ,0.00006552,0.00062849,0.00029048,0.00034438,0.00119487,-0.00185974,0. 00017514,-0.00331993,0.00002182,-0.00239193,0.00007445,0.00005216,0.00 010102,-0.00013170,0.00010125,0.00003239,0.00011576,0.00139187,0.00166 040,0.00047352,-0.00009264,-0.00022330,0.00009536,0.00002808,-0.000026 92,0.00027236,0.00090451,0.00035275,-0.00230698,0.00398944,-0.00382874 ,-0.02798298,-0.01262212,-0.01166017,-0.05771021,-0.02494760,-0.064482 70,-0.00005841,0.00086256,-0.00059797,0.00072204,-0.00080761,-0.000396 31,-0.00004611,-0.00008050,0.00006956,-0.00036986,-0.00091687,-0.00162 096,0.00090727,0.00017565,0.00076261,0.06661620,0.02513053,0.07352323, -0.00177260,0.00021405,0.00089396,0.00096617,-0.00029924,0.00145847,-0 .00142975,-0.00100719,0.00001795,-0.00038285,0.00002065,-0.00049228,-0 .00041662,-0.00021085,0.00038136,0.00006263,0.00002641,0.00018578,0.00 051316,-0.00000759,0.00046852,0.00006742,0.,-0.00005859,0.00010683,0.0 0010490,-0.00010482,-0.00024585,-0.00210808,-0.00094311,0.00014430,-0. 00055275,0.00038715,0.00027775,-0.00064170,0.00013428,0.00353208,-0.00 192874,0.00220404,-0.25766995,0.08428407,-0.06162835,-0.00626176,0.002 43137,-0.00334365,0.00021212,0.00037144,-0.00058789,-0.00002711,0.0000 7831,0.00001918,-0.00012041,-0.00007693,0.00023887,0.00197372,-0.00000 225,0.00022260,0.28103872,0.00061884,-0.00036503,0.00068783,-0.0006753 5,-0.00034435,-0.00102426,-0.00017760,-0.00027985,0.00204823,0.0004438 8,0.00048636,0.00063122,-0.00051713,-0.00036316,-0.00067917,0.00002768 ,0.00000248,-0.00045448,-0.00064321,0.00015500,-0.00064228,-0.00006031 ,-0.00005367,-0.00005366,-0.00002899,-0.00003711,-0.00007022,-0.000583 86,0.00102252,-0.00329967,-0.00070853,-0.00115085,-0.00018598,0.000746 59,-0.00326197,-0.00188689,0.02571596,-0.01131647,0.00749992,0.0834498 6,-0.08500231,0.02436594,-0.01134599,0.00635961,-0.00042982,-0.0000239 4,0.00028869,-0.00060408,-0.00006294,0.00011374,0.00011543,0.00048861, -0.00056522,0.00101181,0.00000248,0.00186017,0.00022472,-0.08798181,0. 09230255,-0.00332009,-0.00002086,-0.00239664,0.00011485,-0.00139256,0. 00165972,0.00119630,0.00186045,0.00017712,-0.00054185,0.00049942,0.000 06681,0.00007419,-0.00005268,0.00010102,-0.00013177,-0.00010131,0.0000 3203,0.00062784,-0.00029051,0.00034337,0.00009518,-0.00002803,-0.00002 682,0.00047397,0.00009286,-0.00022359,-0.00230861,-0.00398732,-0.00382 938,0.00027230,-0.00090496,0.00035278,0.00072212,0.00080709,-0.0003964 2,-0.00005240,-0.00086730,-0.00059809,-0.05762624,0.02491151,-0.064425 39,-0.02798884,0.01262240,-0.01165168,-0.00036908,0.00091706,-0.001621 31,-0.00004610,0.00008050,0.00006956,-0.00018008,0.00014653,-0.0000770 5,0.00022224,-0.00022396,0.00126518,0.06652406,-0.02508956,0.07347014, -0.00086686,-0.00782162,0.00069235,0.00007486,0.00120353,-0.00042302,0 .00014602,-0.00025709,0.00003007,-0.00143952,0.00189026,0.00122042,0.0 0004294,0.00001273,-0.00005157,-0.00000157,0.00004049,-0.00000875,0.00 011996,-0.00012038,-0.00005441,0.00012882,-0.00022885,-0.00015495,0.00 066013,0.00021412,-0.00004163,0.00172515,0.02568593,0.00248233,-0.0000 9750,-0.00070894,-0.00786344,0.00035260,-0.00158757,-0.00067060,0.0008 9900,-0.00238303,-0.00087649,0.00214667,-0.00715006,0.00071991,-0.0424 7608,0.02509571,-0.00903888,-0.00222660,-0.00095041,0.00314610,0.00034 672,0.00159173,-0.00017470,-0.00027133,0.00019560,0.00031419,-0.000120 37,-0.00048895,-0.00018016,0.00039509,-0.00005005,0.00090749,0.0400320 9,0.00083661,-0.00152607,-0.00025137,-0.00092828,0.00075567,-0.0004240 7,0.00009358,-0.00021354,-0.00004017,0.00025391,0.00009474,0.00042358, 0.00005889,0.00002590,0.00000870,-0.00004376,0.00000987,0.00001005,-0. 00014505,0.00027139,0.00013499,-0.00003869,-0.00005539,-0.00001998,-0. 00034172,0.00003588,0.00061832,-0.00139334,-0.01108615,-0.00307555,0.0 0302140,0.00054213,0.00094224,0.00000037,0.00047057,-0.00032560,-0.000 51156,0.00071860,-0.00160985,0.00117286,-0.00861019,0.00148540,0.03322 425,-0.32794566,-0.02616801,-0.00058201,0.00088181,0.00103832,-0.00000 365,-0.00064095,-0.00017894,-0.00019559,0.00000356,0.00013398,0.000077 06,-0.00056519,-0.00014649,-0.00025558,0.00036898,-0.00017581,-0.03448 968,0.34653905,0.00068584,0.00544401,-0.00073951,0.00023454,-0.0005842 7,0.00049655,-0.00015566,-0.00009644,-0.00047210,0.00094678,-0.0017745 1,-0.00108206,0.00001333,-0.00000962,0.00016222,0.00003326,-0.00001133 ,0.00009181,0.00013606,0.00030837,0.00035788,-0.00013765,0.00017967,0. 00016364,-0.00023778,0.00002355,0.00004432,0.00007483,0.01833161,0.003 70477,-0.00460338,0.00235333,0.00204185,-0.00116123,0.00134837,-0.0008 4382,-0.00193481,0.00106570,-0.00546405,0.00176466,-0.02908592,-0.0000 0298,-0.00878062,-0.02502922,-0.05108159,0.00251310,0.00018875,-0.0011 1490,-0.00020577,0.00079657,0.00020554,0.00031416,-0.00013406,0.000032 69,0.00023909,-0.00101291,-0.00007728,-0.00036484,0.00061229,0.0007621 6,0.00999901,0.02799729,0.05227746,-0.00010921,-0.00012104,-0.00024303 ,0.00027801,0.00021046,0.00009116,0.00016224,-0.00024142,-0.00073170,- 0.00103214,-0.00036361,-0.00049296,-0.00001965,-0.00007164,0.00045478, -0.00010136,-0.00000930,0.00024681,0.00108265,0.00041084,0.00094372,0. 00006664,-0.00003713,0.00002403,0.00000097,-0.00000374,0.00003921,0.00 037768,0.00032149,0.00028513,0.00066997,0.00055491,-0.00120586,0.00618 574,-0.00384031,-0.00800165,-0.16006288,0.05397186,0.11199816,0.000376 43,-0.00244674,-0.00101269,-0.00043477,-0.00059497,-0.00048904,0.00003 515,-0.00001523,-0.00000904,-0.00042991,0.00010125,0.00051656,0.000346 44,-0.00023010,0.00065765,-0.02175186,0.00913662,0.02136538,0.00078389 ,0.00051178,-0.00003932,0.00008292,-0.00004000,-0.00003084,0.17111372, -0.00029603,-0.00104547,0.00060229,0.00010969,0.00040007,-0.00029109,- 0.00003551,-0.00036634,0.00003216,-0.00087876,0.00101558,0.00183156,-0 .00009026,-0.00000697,0.00004526,-0.00002815,0.00001529,0.00001292,0.0 0035971,0.00000580,-0.00036656,-0.00007717,0.00003775,0.00000422,0.000 04413,0.00004571,-0.00004290,-0.00108813,0.00090962,-0.00024496,-0.001 00388,-0.00137709,0.00035709,-0.00636332,0.00509946,0.00879103,0.05154 207,-0.07025216,-0.05386374,0.01947629,-0.01573376,-0.02015806,0.00187 855,-0.00323037,0.00234094,-0.00009988,0.00005195,-0.00003904,0.000340 98,-0.00008842,-0.00043300,0.00003817,0.00012111,-0.00066830,-0.007514 12,0.00381728,0.00823186,0.00003172,-0.00404023,-0.00057058,0.00034433 ,-0.00019654,-0.00157921,-0.05694759,0.08341341,0.00053019,0.00304841, -0.00094930,0.00051172,-0.00032521,0.00057749,-0.00021197,-0.00002211, -0.00060894,-0.00016776,-0.00193295,-0.00381495,0.00010979,-0.00012684 ,0.00023723,0.00010814,0.00000722,0.00011294,0.00013518,0.00039620,0.0 0172567,0.00038933,-0.00020543,-0.00012963,-0.00023602,-0.00009572,0.0 0021448,0.00114453,-0.00263457,0.00116645,0.00218821,0.00449845,0.0013 0167,0.01331463,-0.00749069,-0.02750986,0.11538427,-0.05836891,-0.1615 2448,-0.00049890,0.00077147,0.00115117,-0.00199937,0.00030027,-0.00035 239,0.00013961,-0.00000611,-0.00014951,-0.00087652,0.00018923,0.000745 12,-0.00018418,0.00042828,0.00062719,-0.00516091,0.00328874,0.00697957 ,-0.00046456,0.00050955,-0.00002439,0.00021109,0.00005145,-0.00009043, -0.12373777,0.05686349,0.17808571,-0.00103310,0.00036393,-0.00049257,0 .00108329,-0.00041139,0.00094436,0.00016228,0.00024161,-0.00073152,-0. 00010889,0.00012080,-0.00024323,-0.00001970,0.00007155,0.00045488,-0.0 0010136,0.00000926,0.00024689,0.00027813,-0.00021041,0.00009090,0.0000 0093,0.00000378,0.00003931,0.00006663,0.00003717,0.00002401,0.00066943 ,-0.00055733,-0.00120351,0.00037848,-0.00031924,0.00028550,-0.00043548 ,0.00059611,-0.00049011,0.00037724,0.00245051,-0.00101468,-0.15997241, -0.05399074,0.11198040,0.00618740,0.00384571,-0.00801229,-0.00043052,- 0.00010128,0.00051676,0.00003532,0.00001520,-0.00000920,0.00008313,0.0 0004007,-0.00003120,0.00078278,-0.00051142,-0.00003949,-0.02174699,-0. 00914596,0.02137384,0.00034686,0.00022996,0.00065791,0.00237935,0.0002 5716,-0.00062871,0.17101719,0.00087923,0.00101579,-0.00183082,-0.00035 985,0.00000578,0.00036614,0.00003554,-0.00036615,-0.00003211,0.0002964 9,-0.00104483,-0.00060222,0.00009020,-0.00000691,-0.00004530,0.0000281 2,0.00001528,-0.00001295,-0.00010983,0.00039977,0.00029074,-0.00004412 ,0.00004571,0.00004285,0.00007699,0.00003766,-0.00000413,0.00100323,-0 .00137783,-0.00035793,0.00108754,0.00090957,0.00024515,-0.00187911,-0. 00323378,-0.00234312,-0.01946251,-0.01573959,0.02016413,-0.05156338,-0 .07028995,0.05391442,0.00635839,0.00510080,-0.00878569,-0.00034087,-0. 00008828,0.00043279,0.00009991,0.00005195,0.00003909,-0.00034435,-0.00 019704,0.00158029,-0.00003212,-0.00403634,0.00056863,0.00750976,0.0038 2013,-0.00823236,-0.00003779,0.00012153,0.00066798,-0.00025639,0.00140 432,0.00085576,0.05696492,0.08345239,-0.00016693,0.00193468,-0.0038143 6,0.00013506,-0.00039661,0.00172562,-0.00021199,0.00002217,-0.00060873 ,0.00053063,-0.00304876,-0.00095057,0.00010982,0.00012671,0.00023711,0 .00010820,-0.00000725,0.00011287,0.00051166,0.00032527,0.00057782,-0.0 0023602,0.00009568,0.00021452,0.00038903,0.00020531,-0.00012947,0.0021 8837,-0.00450046,0.00130044,0.00114529,0.00263497,0.00116709,-0.002000 53,-0.00030109,-0.00035261,-0.00050327,-0.00077522,0.00115740,0.115365 38,0.05841990,-0.16157731,0.01330536,0.00750079,-0.02751010,-0.0008769 7,-0.00018902,0.00074502,0.00013966,0.00000612,-0.00014947,0.00021112, -0.00005165,-0.00009003,-0.00046446,-0.00050943,-0.00002547,-0.0051481 2,-0.00328686,0.00697087,-0.00018438,-0.00042851,0.00062784,-0.0006286 6,-0.00085537,0.00222917,-0.12371826,-0.05692135,0.17814234||-0.000002 36,0.00000131,0.00000237,-0.00000043,0.00000448,-0.00000138,-0.0000039 9,0.00000140,-0.00000131,0.00000873,-0.00000242,-0.00000010,-0.0000003 6,0.00000049,0.00000140,0.00000043,0.00000056,0.00000012,-0.00000206,- 0.00000331,0.00000230,0.00000055,-0.00000070,0.00000073,0.00000141,-0. 00000087,-0.00000113,-0.00000281,0.00000232,-0.00000410,0.00000333,-0. 00000039,0.00000124,-0.00000424,-0.00000002,-0.00000078,0.00000003,-0. 00000027,-0.00000379,-0.00000013,0.00000092,0.00000118,0.00000229,-0.0 0000271,0.00000101,-0.00000103,-0.00000034,0.00000020,-0.00000038,0.00 000027,0.00000035,0.00000140,-0.00000013,0.00000118,0.00000111,-0.0000 0074,0.00000244,-0.00000016,0.00000086,-0.00000245,-0.00000131,-0.0000 0092,0.00000154,-0.00000124,-0.00000023,-0.00000148,0.00000123,0.00000 043,0.00000048|||@ Everything starts as somebody's daydream. -- Larry Niven Job cpu time: 0 days 0 hours 8 minutes 56.0 seconds. File lengths (MBytes): RWF= 102 Int= 0 D2E= 0 Chk= 4 Scr= 1 Normal termination of Gaussian 09 at Fri Nov 17 16:20:20 2017.