Default is to use a total of 8 processors: 8 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 9244. 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 20-Feb-2018 ****************************************** %chk=\\icnas1.cc.ic.ac.uk\kk3015\Desktop\Yr3 Computational\Transition states\Exe rcise 2\Exo\Cyclohexadiene_dioxole_exo_Opt_Freq_TS_MO.chk Default route: MaxDisk=10GB ---------------------------------------------------------------------- # opt=(calcfc,ts,noeigen) freq b3lyp/6-31g(d) geom=connectivity gfprin t integral=grid=ultrafine pop=full ---------------------------------------------------------------------- 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 2.10958 -0.70403 -0.7266 C 1.19391 -1.36452 0.07836 C 0.79233 -0.77892 1.41679 C 0.79226 0.77926 1.4166 C 1.19415 1.36454 0.07812 C 2.1097 0.70373 -0.72672 H 2.64919 -1.24466 -1.50181 H 1.08842 -2.44469 -0.01207 H -0.18101 -1.18337 1.71557 H -0.18121 1.18372 1.71492 H 1.08886 2.44471 -0.01254 H 2.64944 1.24412 -1.50199 C -0.75851 -0.6947 -0.97092 O -1.81588 -1.14792 -0.1856 C -2.40405 0.00006 0.4187 C -0.7585 0.69453 -0.97107 H -3.48748 0.00004 0.2404 H -2.19978 0.00018 1.49821 O -1.81588 1.14792 -0.18587 H 1.5073 1.14222 2.16794 H 1.50769 -1.1416 2.16797 H -0.50625 -1.34478 -1.79206 H -0.5062 1.34445 -1.79233 Add virtual bond connecting atoms C13 and C2 Dist= 4.38D+00. Add virtual bond connecting atoms C16 and C5 Dist= 4.38D+00. Add virtual bond connecting atoms H18 and H9 Dist= 4.44D+00. Add virtual bond connecting atoms H18 and H10 Dist= 4.44D+00. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.3866 calculate D2E/DX2 analytically ! ! R2 R(1,6) 1.4078 calculate D2E/DX2 analytically ! ! R3 R(1,7) 1.0883 calculate D2E/DX2 analytically ! ! R4 R(2,3) 1.5151 calculate D2E/DX2 analytically ! ! R5 R(2,8) 1.0891 calculate D2E/DX2 analytically ! ! R6 R(2,13) 2.3155 calculate D2E/DX2 analytically ! ! R7 R(3,4) 1.5582 calculate D2E/DX2 analytically ! ! R8 R(3,9) 1.0955 calculate D2E/DX2 analytically ! ! R9 R(3,21) 1.0989 calculate D2E/DX2 analytically ! ! R10 R(4,5) 1.5151 calculate D2E/DX2 analytically ! ! R11 R(4,10) 1.0955 calculate D2E/DX2 analytically ! ! R12 R(4,20) 1.0989 calculate D2E/DX2 analytically ! ! R13 R(5,6) 1.3866 calculate D2E/DX2 analytically ! ! R14 R(5,11) 1.0891 calculate D2E/DX2 analytically ! ! R15 R(5,16) 2.3157 calculate D2E/DX2 analytically ! ! R16 R(6,12) 1.0883 calculate D2E/DX2 analytically ! ! R17 R(9,18) 2.3502 calculate D2E/DX2 analytically ! ! R18 R(10,18) 2.35 calculate D2E/DX2 analytically ! ! R19 R(13,14) 1.3929 calculate D2E/DX2 analytically ! ! R20 R(13,16) 1.3892 calculate D2E/DX2 analytically ! ! R21 R(13,22) 1.0773 calculate D2E/DX2 analytically ! ! R22 R(14,15) 1.4244 calculate D2E/DX2 analytically ! ! R23 R(15,17) 1.098 calculate D2E/DX2 analytically ! ! R24 R(15,18) 1.0987 calculate D2E/DX2 analytically ! ! R25 R(15,19) 1.4244 calculate D2E/DX2 analytically ! ! R26 R(16,19) 1.3929 calculate D2E/DX2 analytically ! ! R27 R(16,23) 1.0773 calculate D2E/DX2 analytically ! ! A1 A(2,1,6) 118.4535 calculate D2E/DX2 analytically ! ! A2 A(2,1,7) 120.2863 calculate D2E/DX2 analytically ! ! A3 A(6,1,7) 119.7791 calculate D2E/DX2 analytically ! ! A4 A(1,2,3) 120.2486 calculate D2E/DX2 analytically ! ! A5 A(1,2,8) 119.2228 calculate D2E/DX2 analytically ! ! A6 A(1,2,13) 98.9721 calculate D2E/DX2 analytically ! ! A7 A(3,2,8) 115.5325 calculate D2E/DX2 analytically ! ! A8 A(3,2,13) 93.7275 calculate D2E/DX2 analytically ! ! A9 A(8,2,13) 99.6491 calculate D2E/DX2 analytically ! ! A10 A(2,3,4) 112.7312 calculate D2E/DX2 analytically ! ! A11 A(2,3,9) 109.4941 calculate D2E/DX2 analytically ! ! A12 A(2,3,21) 107.6833 calculate D2E/DX2 analytically ! ! A13 A(4,3,9) 111.6644 calculate D2E/DX2 analytically ! ! A14 A(4,3,21) 109.2788 calculate D2E/DX2 analytically ! ! A15 A(9,3,21) 105.6695 calculate D2E/DX2 analytically ! ! A16 A(3,4,5) 112.7299 calculate D2E/DX2 analytically ! ! A17 A(3,4,10) 111.6655 calculate D2E/DX2 analytically ! ! A18 A(3,4,20) 109.2795 calculate D2E/DX2 analytically ! ! A19 A(5,4,10) 109.49 calculate D2E/DX2 analytically ! ! A20 A(5,4,20) 107.6878 calculate D2E/DX2 analytically ! ! A21 A(10,4,20) 105.6688 calculate D2E/DX2 analytically ! ! A22 A(4,5,6) 120.2528 calculate D2E/DX2 analytically ! ! A23 A(4,5,11) 115.533 calculate D2E/DX2 analytically ! ! A24 A(4,5,16) 93.7165 calculate D2E/DX2 analytically ! ! A25 A(6,5,11) 119.2216 calculate D2E/DX2 analytically ! ! A26 A(6,5,16) 98.9688 calculate D2E/DX2 analytically ! ! A27 A(11,5,16) 99.6558 calculate D2E/DX2 analytically ! ! A28 A(1,6,5) 118.4544 calculate D2E/DX2 analytically ! ! A29 A(1,6,12) 119.7791 calculate D2E/DX2 analytically ! ! A30 A(5,6,12) 120.2856 calculate D2E/DX2 analytically ! ! A31 A(3,9,18) 123.5054 calculate D2E/DX2 analytically ! ! A32 A(4,10,18) 123.5194 calculate D2E/DX2 analytically ! ! A33 A(2,13,14) 106.886 calculate D2E/DX2 analytically ! ! A34 A(2,13,16) 106.8175 calculate D2E/DX2 analytically ! ! A35 A(2,13,22) 88.4756 calculate D2E/DX2 analytically ! ! A36 A(14,13,16) 108.993 calculate D2E/DX2 analytically ! ! A37 A(14,13,22) 114.2775 calculate D2E/DX2 analytically ! ! A38 A(16,13,22) 127.1113 calculate D2E/DX2 analytically ! ! A39 A(13,14,15) 106.8821 calculate D2E/DX2 analytically ! ! A40 A(14,15,17) 109.7874 calculate D2E/DX2 analytically ! ! A41 A(14,15,18) 109.8869 calculate D2E/DX2 analytically ! ! A42 A(14,15,19) 107.3905 calculate D2E/DX2 analytically ! ! A43 A(17,15,18) 110.0604 calculate D2E/DX2 analytically ! ! A44 A(17,15,19) 109.7872 calculate D2E/DX2 analytically ! ! A45 A(18,15,19) 109.887 calculate D2E/DX2 analytically ! ! A46 A(5,16,13) 106.8151 calculate D2E/DX2 analytically ! ! A47 A(5,16,19) 106.8889 calculate D2E/DX2 analytically ! ! A48 A(5,16,23) 88.4732 calculate D2E/DX2 analytically ! ! A49 A(13,16,19) 108.9919 calculate D2E/DX2 analytically ! ! A50 A(13,16,23) 127.1134 calculate D2E/DX2 analytically ! ! A51 A(19,16,23) 114.2779 calculate D2E/DX2 analytically ! ! A52 A(9,18,10) 60.479 calculate D2E/DX2 analytically ! ! A53 A(9,18,15) 104.5083 calculate D2E/DX2 analytically ! ! A54 A(10,18,15) 104.4992 calculate D2E/DX2 analytically ! ! A55 A(15,19,16) 106.8825 calculate D2E/DX2 analytically ! ! D1 D(6,1,2,3) -34.4335 calculate D2E/DX2 analytically ! ! D2 D(6,1,2,8) 171.6781 calculate D2E/DX2 analytically ! ! D3 D(6,1,2,13) 65.2532 calculate D2E/DX2 analytically ! ! D4 D(7,1,2,3) 159.4776 calculate D2E/DX2 analytically ! ! D5 D(7,1,2,8) 5.5893 calculate D2E/DX2 analytically ! ! D6 D(7,1,2,13) -100.8356 calculate D2E/DX2 analytically ! ! D7 D(2,1,6,5) -0.0011 calculate D2E/DX2 analytically ! ! D8 D(2,1,6,12) -166.1633 calculate D2E/DX2 analytically ! ! D9 D(7,1,6,5) 166.1601 calculate D2E/DX2 analytically ! ! D10 D(7,1,6,12) -0.002 calculate D2E/DX2 analytically ! ! D11 D(1,2,3,4) 32.6255 calculate D2E/DX2 analytically ! ! D12 D(1,2,3,9) 157.5786 calculate D2E/DX2 analytically ! ! D13 D(1,2,3,21) -87.9912 calculate D2E/DX2 analytically ! ! D14 D(8,2,3,4) -172.5681 calculate D2E/DX2 analytically ! ! D15 D(8,2,3,9) -47.6149 calculate D2E/DX2 analytically ! ! D16 D(8,2,3,21) 66.8152 calculate D2E/DX2 analytically ! ! D17 D(13,2,3,4) -70.0195 calculate D2E/DX2 analytically ! ! D18 D(13,2,3,9) 54.9337 calculate D2E/DX2 analytically ! ! D19 D(13,2,3,21) 169.3639 calculate D2E/DX2 analytically ! ! D20 D(1,2,13,14) -173.08 calculate D2E/DX2 analytically ! ! D21 D(1,2,13,16) -56.5246 calculate D2E/DX2 analytically ! ! D22 D(1,2,13,22) 71.9745 calculate D2E/DX2 analytically ! ! D23 D(3,2,13,14) -51.6565 calculate D2E/DX2 analytically ! ! D24 D(3,2,13,16) 64.8989 calculate D2E/DX2 analytically ! ! D25 D(3,2,13,22) -166.602 calculate D2E/DX2 analytically ! ! D26 D(8,2,13,14) 65.0367 calculate D2E/DX2 analytically ! ! D27 D(8,2,13,16) -178.4079 calculate D2E/DX2 analytically ! ! D28 D(8,2,13,22) -49.9088 calculate D2E/DX2 analytically ! ! D29 D(2,3,4,5) -0.0155 calculate D2E/DX2 analytically ! ! D30 D(2,3,4,10) 123.74 calculate D2E/DX2 analytically ! ! D31 D(2,3,4,20) -119.7197 calculate D2E/DX2 analytically ! ! D32 D(9,3,4,5) -123.7766 calculate D2E/DX2 analytically ! ! D33 D(9,3,4,10) -0.0211 calculate D2E/DX2 analytically ! ! D34 D(9,3,4,20) 116.5193 calculate D2E/DX2 analytically ! ! D35 D(21,3,4,5) 119.6833 calculate D2E/DX2 analytically ! ! D36 D(21,3,4,10) -116.5612 calculate D2E/DX2 analytically ! ! D37 D(21,3,4,20) -0.0209 calculate D2E/DX2 analytically ! ! D38 D(2,3,9,18) -101.4769 calculate D2E/DX2 analytically ! ! D39 D(4,3,9,18) 24.0919 calculate D2E/DX2 analytically ! ! D40 D(21,3,9,18) 142.8035 calculate D2E/DX2 analytically ! ! D41 D(3,4,5,6) -32.6011 calculate D2E/DX2 analytically ! ! D42 D(3,4,5,11) 172.5846 calculate D2E/DX2 analytically ! ! D43 D(3,4,5,16) 70.0339 calculate D2E/DX2 analytically ! ! D44 D(10,4,5,6) -157.5516 calculate D2E/DX2 analytically ! ! D45 D(10,4,5,11) 47.6341 calculate D2E/DX2 analytically ! ! D46 D(10,4,5,16) -54.9166 calculate D2E/DX2 analytically ! ! D47 D(20,4,5,6) 88.0187 calculate D2E/DX2 analytically ! ! D48 D(20,4,5,11) -66.7956 calculate D2E/DX2 analytically ! ! D49 D(20,4,5,16) -169.3463 calculate D2E/DX2 analytically ! ! D50 D(3,4,10,18) -24.0648 calculate D2E/DX2 analytically ! ! D51 D(5,4,10,18) 101.5002 calculate D2E/DX2 analytically ! ! D52 D(20,4,10,18) -142.7773 calculate D2E/DX2 analytically ! ! D53 D(4,5,6,1) 34.4275 calculate D2E/DX2 analytically ! ! D54 D(4,5,6,12) -159.4826 calculate D2E/DX2 analytically ! ! D55 D(11,5,6,1) -171.6755 calculate D2E/DX2 analytically ! ! D56 D(11,5,6,12) -5.5857 calculate D2E/DX2 analytically ! ! D57 D(16,5,6,1) -65.2451 calculate D2E/DX2 analytically ! ! D58 D(16,5,6,12) 100.8447 calculate D2E/DX2 analytically ! ! D59 D(4,5,16,13) -64.9044 calculate D2E/DX2 analytically ! ! D60 D(4,5,16,19) 51.6501 calculate D2E/DX2 analytically ! ! D61 D(4,5,16,23) 166.5956 calculate D2E/DX2 analytically ! ! D62 D(6,5,16,13) 56.5205 calculate D2E/DX2 analytically ! ! D63 D(6,5,16,19) 173.0749 calculate D2E/DX2 analytically ! ! D64 D(6,5,16,23) -71.9796 calculate D2E/DX2 analytically ! ! D65 D(11,5,16,13) 178.4034 calculate D2E/DX2 analytically ! ! D66 D(11,5,16,19) -65.0421 calculate D2E/DX2 analytically ! ! D67 D(11,5,16,23) 49.9034 calculate D2E/DX2 analytically ! ! D68 D(3,9,18,10) -26.0385 calculate D2E/DX2 analytically ! ! D69 D(3,9,18,15) 72.627 calculate D2E/DX2 analytically ! ! D70 D(4,10,18,9) 26.027 calculate D2E/DX2 analytically ! ! D71 D(4,10,18,15) -72.6539 calculate D2E/DX2 analytically ! ! D72 D(2,13,14,15) 109.4373 calculate D2E/DX2 analytically ! ! D73 D(16,13,14,15) -5.6659 calculate D2E/DX2 analytically ! ! D74 D(22,13,14,15) -154.4538 calculate D2E/DX2 analytically ! ! D75 D(2,13,16,5) 0.0012 calculate D2E/DX2 analytically ! ! D76 D(2,13,16,19) -115.1479 calculate D2E/DX2 analytically ! ! D77 D(2,13,16,23) 101.1737 calculate D2E/DX2 analytically ! ! D78 D(14,13,16,5) 115.1487 calculate D2E/DX2 analytically ! ! D79 D(14,13,16,19) -0.0004 calculate D2E/DX2 analytically ! ! D80 D(14,13,16,23) -143.6788 calculate D2E/DX2 analytically ! ! D81 D(22,13,16,5) -101.1754 calculate D2E/DX2 analytically ! ! D82 D(22,13,16,19) 143.6754 calculate D2E/DX2 analytically ! ! D83 D(22,13,16,23) -0.0029 calculate D2E/DX2 analytically ! ! D84 D(13,14,15,17) 128.3918 calculate D2E/DX2 analytically ! ! D85 D(13,14,15,18) -110.4238 calculate D2E/DX2 analytically ! ! D86 D(13,14,15,19) 9.0721 calculate D2E/DX2 analytically ! ! D87 D(14,15,18,9) 27.6346 calculate D2E/DX2 analytically ! ! D88 D(14,15,18,10) 90.3251 calculate D2E/DX2 analytically ! ! D89 D(17,15,18,9) 148.655 calculate D2E/DX2 analytically ! ! D90 D(17,15,18,10) -148.6546 calculate D2E/DX2 analytically ! ! D91 D(19,15,18,9) -90.3248 calculate D2E/DX2 analytically ! ! D92 D(19,15,18,10) -27.6343 calculate D2E/DX2 analytically ! ! D93 D(14,15,19,16) -9.0724 calculate D2E/DX2 analytically ! ! D94 D(17,15,19,16) -128.3923 calculate D2E/DX2 analytically ! ! D95 D(18,15,19,16) 110.4234 calculate D2E/DX2 analytically ! ! D96 D(5,16,19,15) -109.4349 calculate D2E/DX2 analytically ! ! D97 D(13,16,19,15) 5.6666 calculate D2E/DX2 analytically ! ! D98 D(23,16,19,15) 154.4574 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 2.109575 -0.704030 -0.726604 2 6 0 1.193908 -1.364520 0.078362 3 6 0 0.792327 -0.778915 1.416792 4 6 0 0.792256 0.779263 1.416597 5 6 0 1.194149 1.364537 0.078119 6 6 0 2.109705 0.703725 -0.726718 7 1 0 2.649187 -1.244655 -1.501806 8 1 0 1.088418 -2.444690 -0.012065 9 1 0 -0.181006 -1.183365 1.715572 10 1 0 -0.181214 1.183717 1.714915 11 1 0 1.088860 2.444708 -0.012544 12 1 0 2.649444 1.244124 -1.501989 13 6 0 -0.758510 -0.694696 -0.970916 14 8 0 -1.815882 -1.147923 -0.185603 15 6 0 -2.404052 0.000061 0.418700 16 6 0 -0.758503 0.694525 -0.971074 17 1 0 -3.487475 0.000041 0.240401 18 1 0 -2.199784 0.000182 1.498213 19 8 0 -1.815882 1.147917 -0.185868 20 1 0 1.507304 1.142216 2.167943 21 1 0 1.507686 -1.141603 2.167973 22 1 0 -0.506248 -1.344778 -1.792055 23 1 0 -0.506199 1.344450 -1.792326 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.386601 0.000000 3 C 2.516922 1.515122 0.000000 4 C 2.920411 2.558907 1.558178 0.000000 5 C 2.400948 2.729057 2.558885 1.515119 0.000000 6 C 1.407755 2.400932 2.920332 2.516978 1.386607 7 H 1.088299 2.151543 3.490424 4.007682 3.379524 8 H 2.140847 1.089070 2.214522 3.538737 3.811761 9 H 3.382417 2.145615 1.095548 2.211003 3.326275 10 H 3.843477 3.326075 2.211014 1.095546 2.145558 11 H 3.386191 3.811760 3.538740 2.214526 1.089071 12 H 2.165175 3.379514 4.007599 3.490471 2.151540 13 C 2.878487 2.315510 2.848392 3.205877 3.025523 14 O 3.987347 3.029097 3.083276 3.617109 3.929668 15 C 4.709596 3.863059 3.437998 3.437927 3.863268 16 C 3.200249 3.025375 3.205932 2.848334 2.315723 17 H 5.723442 4.878896 4.506370 4.506298 4.879118 18 H 4.900643 3.923714 3.092952 3.092884 3.923890 19 O 4.373936 3.929503 3.617175 3.083210 3.029340 20 H 3.485650 3.278459 2.183155 1.098885 2.124819 21 H 2.988698 2.124764 1.098888 2.183147 3.278190 22 H 2.896252 2.527722 3.507591 4.061171 3.705305 23 H 3.489170 3.705180 4.061193 3.507507 2.527875 6 7 8 9 10 6 C 0.000000 7 H 2.165176 0.000000 8 H 3.386189 2.468889 0.000000 9 H 3.843598 4.285472 2.487390 0.000000 10 H 3.382347 4.924983 4.214233 2.367082 0.000000 11 H 2.140839 4.273631 4.889398 4.214482 2.487429 12 H 1.088299 2.488779 4.273643 4.925124 4.285411 13 C 3.200292 3.492377 2.719010 2.790972 3.327971 14 O 4.373973 4.656027 3.185385 2.507697 3.423544 15 C 4.709684 5.547331 4.284824 2.832721 2.832353 16 C 2.878613 3.956570 3.766362 3.328369 2.790539 17 H 5.723540 6.499475 5.194155 3.809110 3.808759 18 H 4.900713 5.836288 4.366991 2.350211 2.349966 19 O 3.987488 5.233826 4.622985 3.423911 2.507269 20 H 2.989017 4.524169 4.218269 2.909185 1.748728 21 H 3.485240 3.844596 2.574177 1.748740 2.909426 22 H 3.489200 3.170337 2.630804 3.526370 4.335640 23 H 2.896378 4.091983 4.479923 4.336006 3.525931 11 12 13 14 15 11 H 0.000000 12 H 2.468860 0.000000 13 C 3.766578 3.956667 0.000000 14 O 4.623254 5.233918 1.392899 0.000000 15 C 4.285173 5.547482 2.263079 1.424427 0.000000 16 C 2.719314 3.492568 1.389221 2.264869 2.263092 17 H 5.194538 6.499649 3.065485 2.072082 1.097996 18 H 4.367296 5.836404 2.942231 2.073828 1.098669 19 O 3.185786 4.656240 2.264853 2.295840 1.424437 20 H 2.574122 3.844902 4.284926 4.671989 4.434307 21 H 4.218020 4.523707 3.897178 4.072526 4.434529 22 H 4.480093 4.092059 1.077271 2.081966 3.209001 23 H 2.631046 3.170559 2.212802 3.241720 3.209028 16 17 18 19 20 16 C 0.000000 17 H 3.065496 0.000000 18 H 2.942241 1.800066 0.000000 19 O 1.392897 2.072088 2.073838 0.000000 20 H 3.897145 5.474285 3.936405 4.072349 0.000000 21 H 4.284926 5.474534 3.936697 4.672106 2.283819 22 H 2.212781 3.850601 3.937365 3.241683 5.091278 23 H 1.077272 3.850639 3.937376 2.081971 4.447339 21 22 23 21 H 0.000000 22 H 4.447362 0.000000 23 H 5.091185 2.689228 0.000000 Stoichiometry C9H12O2 Framework group C1[X(C9H12O2)] Deg. of freedom 63 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -2.109575 0.704030 -0.726604 2 6 0 -1.193908 1.364520 0.078362 3 6 0 -0.792327 0.778915 1.416792 4 6 0 -0.792256 -0.779263 1.416597 5 6 0 -1.194149 -1.364537 0.078119 6 6 0 -2.109705 -0.703725 -0.726718 7 1 0 -2.649187 1.244655 -1.501806 8 1 0 -1.088418 2.444690 -0.012065 9 1 0 0.181006 1.183365 1.715572 10 1 0 0.181214 -1.183717 1.714915 11 1 0 -1.088860 -2.444708 -0.012544 12 1 0 -2.649444 -1.244124 -1.501989 13 6 0 0.758510 0.694696 -0.970916 14 8 0 1.815882 1.147923 -0.185603 15 6 0 2.404052 -0.000061 0.418700 16 6 0 0.758503 -0.694525 -0.971074 17 1 0 3.487475 -0.000041 0.240401 18 1 0 2.199784 -0.000182 1.498213 19 8 0 1.815882 -1.147917 -0.185868 20 1 0 -1.507304 -1.142216 2.167943 21 1 0 -1.507686 1.141603 2.167973 22 1 0 0.506248 1.344778 -1.792055 23 1 0 0.506199 -1.344450 -1.792326 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9100587 1.0127513 0.9486919 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 -3.986519213253 1.330423869102 -1.373082843605 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C1 Shell 2 SP 3 bf 2 - 5 -3.986519213253 1.330423869102 -1.373082843605 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C1 Shell 3 SP 1 bf 6 - 9 -3.986519213253 1.330423869102 -1.373082843605 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 -3.986519213253 1.330423869102 -1.373082843605 0.8000000000D+00 0.1000000000D+01 Atom C2 Shell 5 S 6 bf 16 - 16 -2.256159353452 2.578569081391 0.148082442680 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C2 Shell 6 SP 3 bf 17 - 20 -2.256159353452 2.578569081391 0.148082442680 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C2 Shell 7 SP 1 bf 21 - 24 -2.256159353452 2.578569081391 0.148082442680 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C2 Shell 8 D 1 bf 25 - 30 -2.256159353452 2.578569081391 0.148082442680 0.8000000000D+00 0.1000000000D+01 Atom C3 Shell 9 S 6 bf 31 - 31 -1.497281244062 1.471936008807 2.677348590718 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 -1.497281244062 1.471936008807 2.677348590718 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 -1.497281244062 1.471936008807 2.677348590718 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 12 D 1 bf 40 - 45 -1.497281244062 1.471936008807 2.677348590718 0.8000000000D+00 0.1000000000D+01 Atom C4 Shell 13 S 6 bf 46 - 46 -1.497147075583 -1.472593677480 2.676980094122 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 -1.497147075583 -1.472593677480 2.676980094122 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 -1.497147075583 -1.472593677480 2.676980094122 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C4 Shell 16 D 1 bf 55 - 60 -1.497147075583 -1.472593677480 2.676980094122 0.8000000000D+00 0.1000000000D+01 Atom C5 Shell 17 S 6 bf 61 - 61 -2.256614781087 -2.578601249643 0.147623239230 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C5 Shell 18 SP 3 bf 62 - 65 -2.256614781087 -2.578601249643 0.147623239230 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C5 Shell 19 SP 1 bf 66 - 69 -2.256614781087 -2.578601249643 0.147623239230 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C5 Shell 20 D 1 bf 70 - 75 -2.256614781087 -2.578601249643 0.147623239230 0.8000000000D+00 0.1000000000D+01 Atom C6 Shell 21 S 6 bf 76 - 76 -3.986764879526 -1.329847543099 -1.373298272384 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C6 Shell 22 SP 3 bf 77 - 80 -3.986764879526 -1.329847543099 -1.373298272384 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C6 Shell 23 SP 1 bf 81 - 84 -3.986764879526 -1.329847543099 -1.373298272384 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C6 Shell 24 D 1 bf 85 - 90 -3.986764879526 -1.329847543099 -1.373298272384 0.8000000000D+00 0.1000000000D+01 Atom H7 Shell 25 S 3 bf 91 - 91 -5.006238110551 2.352057060412 -2.838002321270 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H7 Shell 26 S 1 bf 92 - 92 -5.006238110551 2.352057060412 -2.838002321270 0.1612777588D+00 0.1000000000D+01 Atom H8 Shell 27 S 3 bf 93 - 93 -2.056812142254 4.619794558209 -0.022799822339 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H8 Shell 28 S 1 bf 94 - 94 -2.056812142254 4.619794558209 -0.022799822339 0.1612777588D+00 0.1000000000D+01 Atom H9 Shell 29 S 3 bf 95 - 95 0.342051562577 2.236235741956 3.241960964702 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H9 Shell 30 S 1 bf 96 - 96 0.342051562577 2.236235741956 3.241960964702 0.1612777588D+00 0.1000000000D+01 Atom H10 Shell 31 S 3 bf 97 - 97 0.342444622458 -2.236900972128 3.240719414632 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H10 Shell 32 S 1 bf 98 - 98 0.342444622458 -2.236900972128 3.240719414632 0.1612777588D+00 0.1000000000D+01 Atom H11 Shell 33 S 3 bf 99 - 99 -2.057647407721 -4.619828616469 -0.023705001156 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H11 Shell 34 S 1 bf 100 - 100 -2.057647407721 -4.619828616469 -0.023705001156 0.1612777588D+00 0.1000000000D+01 Atom H12 Shell 35 S 3 bf 101 - 101 -5.006723773484 -2.351053654864 -2.838348141152 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H12 Shell 36 S 1 bf 102 - 102 -5.006723773484 -2.351053654864 -2.838348141152 0.1612777588D+00 0.1000000000D+01 Atom C13 Shell 37 S 6 bf 103 - 103 1.433375962572 1.312785161555 -1.834765614582 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C13 Shell 38 SP 3 bf 104 - 107 1.433375962572 1.312785161555 -1.834765614582 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C13 Shell 39 SP 1 bf 108 - 111 1.433375962572 1.312785161555 -1.834765614582 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C13 Shell 40 D 1 bf 112 - 117 1.433375962572 1.312785161555 -1.834765614582 0.8000000000D+00 0.1000000000D+01 Atom O14 Shell 41 S 6 bf 118 - 118 3.431519463758 2.169260066175 -0.350739115987 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 O14 Shell 42 SP 3 bf 119 - 122 3.431519463758 2.169260066175 -0.350739115987 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 O14 Shell 43 SP 1 bf 123 - 126 3.431519463758 2.169260066175 -0.350739115987 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O14 Shell 44 D 1 bf 127 - 132 3.431519463758 2.169260066175 -0.350739115987 0.8000000000D+00 0.1000000000D+01 Atom C15 Shell 45 S 6 bf 133 - 133 4.542999681807 -0.000115299544 0.791228055294 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 46 SP 3 bf 134 - 137 4.542999681807 -0.000115299544 0.791228055294 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 47 SP 1 bf 138 - 141 4.542999681807 -0.000115299544 0.791228055294 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C15 Shell 48 D 1 bf 142 - 147 4.542999681807 -0.000115299544 0.791228055294 0.8000000000D+00 0.1000000000D+01 Atom C16 Shell 49 S 6 bf 148 - 148 1.433362732638 -1.312462066499 -1.835064191311 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C16 Shell 50 SP 3 bf 149 - 152 1.433362732638 -1.312462066499 -1.835064191311 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C16 Shell 51 SP 1 bf 153 - 156 1.433362732638 -1.312462066499 -1.835064191311 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C16 Shell 52 D 1 bf 157 - 162 1.433362732638 -1.312462066499 -1.835064191311 0.8000000000D+00 0.1000000000D+01 Atom H17 Shell 53 S 3 bf 163 - 163 6.590372437876 -0.000077506465 0.454291775527 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H17 Shell 54 S 1 bf 164 - 164 6.590372437876 -0.000077506465 0.454291775527 0.1612777588D+00 0.1000000000D+01 Atom H18 Shell 55 S 3 bf 165 - 165 4.156989104095 -0.000343956134 2.831211982184 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H18 Shell 56 S 1 bf 166 - 166 4.156989104095 -0.000343956134 2.831211982184 0.1612777588D+00 0.1000000000D+01 Atom O19 Shell 57 S 6 bf 167 - 167 3.431519460698 -2.169248778749 -0.351239893412 0.5484671660D+04 0.1831074430D-02 0.8252349460D+03 0.1395017220D-01 0.1880469580D+03 0.6844507810D-01 0.5296450000D+02 0.2327143360D+00 0.1689757040D+02 0.4701928980D+00 0.5799635340D+01 0.3585208530D+00 Atom O19 Shell 58 SP 3 bf 168 - 171 3.431519460698 -2.169248778749 -0.351239893412 0.1553961625D+02 -0.1107775495D+00 0.7087426823D-01 0.3599933586D+01 -0.1480262627D+00 0.3397528391D+00 0.1013761750D+01 0.1130767015D+01 0.7271585773D+00 Atom O19 Shell 59 SP 1 bf 172 - 175 3.431519460698 -2.169248778749 -0.351239893412 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O19 Shell 60 D 1 bf 176 - 181 3.431519460698 -2.169248778749 -0.351239893412 0.8000000000D+00 0.1000000000D+01 Atom H20 Shell 61 S 3 bf 182 - 182 -2.848391967934 -2.158475445637 4.096818265161 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 -2.848391967934 -2.158475445637 4.096818265161 0.1612777588D+00 0.1000000000D+01 Atom H21 Shell 63 S 3 bf 184 - 184 -2.849113840273 2.157317001445 4.096874956945 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 -2.849113840273 2.157317001445 4.096874956945 0.1612777588D+00 0.1000000000D+01 Atom H22 Shell 65 S 3 bf 186 - 186 0.956669869704 2.541262105810 -3.386493441614 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 0.956669869704 2.541262105810 -3.386493441614 0.1612777588D+00 0.1000000000D+01 Atom H23 Shell 67 S 3 bf 188 - 188 0.956577269540 -2.540642323078 -3.387005557396 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 0.956577269540 -2.540642323078 -3.387005557396 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 650.5347088001 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= 1.27D-01 1.28D-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= 1.81D-02 5.03D-02. 66 vectors produced by pass 2 Test12= 8.43D-15 1.39D-09 XBig12= 1.31D-04 1.75D-03. 66 vectors produced by pass 3 Test12= 8.43D-15 1.39D-09 XBig12= 2.41D-07 5.22D-05. 66 vectors produced by pass 4 Test12= 8.43D-15 1.39D-09 XBig12= 2.89D-10 1.98D-06. 54 vectors produced by pass 5 Test12= 8.43D-15 1.39D-09 XBig12= 2.48D-13 6.84D-08. 2 vectors produced by pass 6 Test12= 8.43D-15 1.39D-09 XBig12= 2.34D-16 2.03D-09. InvSVY: IOpt=1 It= 1 EMax= 1.61D-15 Solved reduced A of dimension 386 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 -- -0.38964 -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 0.11233 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 0.31362 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 0.86450 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 1.09921 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 2.00053 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 0.00002 -0.00002 -0.00009 0.00004 2 2S -0.00007 0.00009 -0.00007 -0.00010 0.00006 3 2PX 0.00000 0.00000 -0.00002 -0.00007 0.00005 4 2PY -0.00001 -0.00001 0.00005 0.00001 0.00000 5 2PZ 0.00000 -0.00002 0.00001 0.00003 0.00001 6 3S 0.00081 -0.00085 0.00019 0.00040 0.00110 7 3PX 0.00033 -0.00032 0.00024 -0.00002 0.00054 8 3PY -0.00027 -0.00001 -0.00025 0.00018 -0.00035 9 3PZ 0.00024 -0.00016 0.00019 -0.00007 0.00056 10 4XX -0.00001 0.00001 -0.00001 -0.00006 0.00003 11 4YY -0.00001 0.00002 -0.00003 -0.00006 0.00005 12 4ZZ -0.00002 0.00004 -0.00003 -0.00007 0.00004 13 4XY -0.00001 -0.00001 -0.00001 0.00002 -0.00001 14 4XZ 0.00001 -0.00002 0.00002 0.00000 -0.00001 15 4YZ 0.00001 -0.00001 0.00000 0.00006 -0.00006 16 2 C 1S 0.00001 -0.00002 0.00004 -0.00011 0.00022 17 2S 0.00009 -0.00012 0.00012 -0.00041 0.00085 18 2PX 0.00001 0.00002 0.00003 -0.00010 0.00008 19 2PY 0.00000 0.00000 -0.00006 0.00008 -0.00015 20 2PZ 0.00001 0.00001 0.00003 -0.00003 0.00010 21 3S -0.00081 0.00082 -0.00079 0.00149 -0.00368 22 3PX -0.00006 -0.00012 -0.00019 0.00090 -0.00076 23 3PY 0.00038 -0.00030 0.00067 -0.00037 0.00137 24 3PZ -0.00010 -0.00021 -0.00037 0.00000 0.00002 25 4XX -0.00001 0.00003 0.00004 -0.00005 0.00013 26 4YY 0.00001 -0.00001 0.00004 -0.00020 0.00028 27 4ZZ 0.00001 -0.00001 0.00003 -0.00013 0.00020 28 4XY 0.00000 0.00002 0.00002 -0.00007 0.00010 29 4XZ -0.00001 0.00001 -0.00003 -0.00009 0.00012 30 4YZ 0.00001 0.00001 0.00002 0.00003 -0.00005 31 3 C 1S -0.00001 -0.00001 -0.00002 -0.00010 0.00014 32 2S -0.00004 -0.00004 -0.00005 -0.00012 0.00029 33 2PX -0.00003 0.00001 -0.00006 -0.00013 0.00015 34 2PY 0.00001 0.00000 0.00004 0.00004 0.00001 35 2PZ 0.00002 -0.00003 0.00000 0.00020 -0.00027 36 3S 0.00046 0.00018 0.00051 -0.00023 -0.00029 37 3PX 0.00000 0.00012 0.00002 0.00054 -0.00141 38 3PY -0.00014 0.00014 0.00001 -0.00019 0.00084 39 3PZ -0.00039 0.00024 -0.00041 -0.00027 0.00056 40 4XX -0.00003 0.00001 -0.00003 -0.00006 0.00011 41 4YY -0.00001 -0.00001 -0.00002 -0.00010 0.00010 42 4ZZ -0.00001 -0.00003 0.00002 -0.00011 0.00016 43 4XY 0.00000 0.00000 0.00002 0.00001 0.00005 44 4XZ 0.00002 -0.00002 0.00003 0.00001 -0.00003 45 4YZ 0.00001 0.00000 -0.00001 -0.00004 -0.00003 46 4 C 1S 0.00000 -0.00001 -0.00002 -0.00010 -0.00014 47 2S 0.00001 -0.00006 -0.00005 -0.00012 -0.00029 48 2PX 0.00003 -0.00001 -0.00006 -0.00013 -0.00015 49 2PY 0.00001 -0.00001 -0.00004 -0.00004 0.00001 50 2PZ -0.00003 -0.00001 0.00000 0.00020 0.00028 51 3S -0.00022 0.00044 0.00051 -0.00023 0.00029 52 3PX 0.00008 0.00009 0.00001 0.00054 0.00141 53 3PY -0.00020 -0.00001 -0.00001 0.00019 0.00084 54 3PZ 0.00045 -0.00009 -0.00041 -0.00027 -0.00057 55 4XX 0.00002 -0.00001 -0.00003 -0.00006 -0.00011 56 4YY 0.00000 -0.00001 -0.00002 -0.00010 -0.00010 57 4ZZ -0.00001 -0.00002 0.00002 -0.00011 -0.00016 58 4XY 0.00000 0.00000 -0.00002 -0.00001 0.00005 59 4XZ -0.00003 0.00000 0.00003 0.00001 0.00003 60 4YZ 0.00001 -0.00001 0.00001 0.00004 -0.00003 61 5 C 1S -0.00002 0.00000 0.00004 -0.00011 -0.00023 62 2S -0.00015 -0.00003 0.00012 -0.00041 -0.00085 63 2PX 0.00001 0.00002 0.00003 -0.00010 -0.00008 64 2PY 0.00000 0.00000 0.00006 -0.00008 -0.00015 65 2PZ 0.00000 0.00001 0.00003 -0.00003 -0.00010 66 3S 0.00115 0.00006 -0.00079 0.00147 0.00369 67 3PX -0.00003 -0.00012 -0.00019 0.00090 0.00076 68 3PY 0.00049 -0.00003 -0.00067 0.00036 0.00137 69 3PZ -0.00007 -0.00022 -0.00037 0.00000 -0.00002 70 4XX 0.00002 0.00001 0.00004 -0.00005 -0.00013 71 4YY -0.00002 0.00000 0.00004 -0.00020 -0.00028 72 4ZZ -0.00002 0.00000 0.00003 -0.00012 -0.00020 73 4XY -0.00001 -0.00001 -0.00002 0.00007 0.00010 74 4XZ 0.00002 0.00000 -0.00003 -0.00009 -0.00012 75 4YZ 0.00000 -0.00001 -0.00002 -0.00003 -0.00005 76 6 C 1S 0.00002 0.00001 -0.00002 -0.00008 -0.00004 77 2S 0.00011 0.00002 -0.00007 -0.00010 -0.00006 78 2PX 0.00001 0.00000 -0.00002 -0.00007 -0.00005 79 2PY 0.00000 0.00001 -0.00005 -0.00001 0.00000 80 2PZ -0.00002 -0.00001 0.00001 0.00003 -0.00001 81 3S -0.00117 -0.00008 0.00019 0.00041 -0.00110 82 3PX -0.00046 -0.00001 0.00024 -0.00002 -0.00054 83 3PY -0.00019 0.00019 0.00025 -0.00017 -0.00035 84 3PZ -0.00028 0.00004 0.00019 -0.00007 -0.00057 85 4XX 0.00001 0.00000 -0.00001 -0.00006 -0.00003 86 4YY 0.00002 0.00001 -0.00003 -0.00006 -0.00005 87 4ZZ 0.00004 0.00002 -0.00003 -0.00007 -0.00004 88 4XY 0.00000 0.00001 0.00001 -0.00002 -0.00001 89 4XZ -0.00002 -0.00001 0.00002 0.00000 0.00001 90 4YZ 0.00001 0.00000 0.00000 -0.00006 -0.00006 91 7 H 1S 0.00001 0.00002 0.00003 0.00001 0.00002 92 2S 0.00010 -0.00003 0.00012 -0.00020 0.00028 93 8 H 1S 0.00000 -0.00001 -0.00002 -0.00006 0.00005 94 2S -0.00008 0.00006 -0.00025 -0.00007 -0.00001 95 9 H 1S -0.00007 0.00007 -0.00007 -0.00004 0.00018 96 2S 0.00017 -0.00041 0.00010 -0.00027 0.00023 97 10 H 1S 0.00010 0.00001 -0.00007 -0.00004 -0.00018 98 2S -0.00040 -0.00019 0.00010 -0.00027 -0.00023 99 11 H 1S -0.00001 -0.00001 -0.00002 -0.00006 -0.00005 100 2S 0.00010 -0.00001 -0.00025 -0.00007 0.00001 101 12 H 1S 0.00001 0.00002 0.00003 0.00001 -0.00001 102 2S -0.00009 0.00005 0.00012 -0.00020 -0.00028 103 13 C 1S -0.00001 0.00001 -0.00012 0.70395 -0.70045 104 2S -0.00007 0.00030 -0.00038 0.03470 -0.03551 105 2PX -0.00014 0.00022 0.00006 0.00041 -0.00036 106 2PY -0.00004 0.00015 0.00014 0.00024 0.00010 107 2PZ -0.00011 0.00018 0.00002 0.00061 -0.00067 108 3S 0.00115 -0.00194 0.00089 -0.00721 0.01897 109 3PX 0.00078 -0.00079 0.00066 0.00005 0.00024 110 3PY 0.00021 -0.00061 -0.00057 -0.00046 -0.00480 111 3PZ 0.00074 -0.00062 0.00080 -0.00081 0.00264 112 4XX -0.00008 0.00009 0.00007 -0.00641 0.00610 113 4YY -0.00014 0.00005 -0.00003 -0.00646 0.00588 114 4ZZ -0.00006 0.00004 -0.00003 -0.00636 0.00603 115 4XY -0.00001 0.00008 -0.00004 0.00009 0.00002 116 4XZ -0.00004 0.00006 0.00018 0.00019 -0.00019 117 4YZ 0.00000 0.00007 0.00000 -0.00007 0.00001 118 14 O 1S -0.40033 0.90840 -0.00007 -0.00003 0.00014 119 2S -0.01032 0.02357 0.00001 0.00009 0.00035 120 2PX 0.00011 -0.00024 -0.00009 0.00008 -0.00006 121 2PY 0.00038 -0.00080 0.00000 -0.00004 -0.00003 122 2PZ 0.00006 -0.00008 -0.00006 0.00006 -0.00002 123 3S -0.00550 0.01200 0.00114 0.00001 -0.00352 124 3PX 0.00024 -0.00028 0.00053 -0.00028 0.00045 125 3PY 0.00007 -0.00039 0.00039 0.00072 0.00031 126 3PZ 0.00006 -0.00014 0.00039 -0.00014 -0.00008 127 4XX 0.00334 -0.00751 -0.00010 -0.00015 0.00038 128 4YY 0.00331 -0.00761 -0.00050 -0.00004 0.00038 129 4ZZ 0.00334 -0.00752 -0.00002 -0.00008 0.00034 130 4XY -0.00001 0.00001 0.00016 -0.00009 0.00017 131 4XZ 0.00000 -0.00005 -0.00020 -0.00032 0.00037 132 4YZ -0.00001 0.00002 0.00020 -0.00004 0.00013 133 15 C 1S 0.00001 0.00002 0.99303 0.00001 0.00000 134 2S 0.00013 0.00033 0.04864 -0.00058 0.00000 135 2PX -0.00006 -0.00015 -0.00077 -0.00008 0.00000 136 2PY -0.00039 0.00015 0.00000 0.00000 0.00008 137 2PZ -0.00008 -0.00019 -0.00067 -0.00010 0.00000 138 3S -0.00103 -0.00266 -0.01350 0.00274 0.00001 139 3PX 0.00015 0.00040 0.00060 -0.00136 0.00000 140 3PY 0.00106 -0.00041 0.00000 0.00000 0.00025 141 3PZ 0.00021 0.00054 -0.00001 -0.00099 0.00000 142 4XX 0.00003 0.00008 -0.00875 0.00007 0.00000 143 4YY 0.00014 0.00036 -0.00875 0.00003 0.00000 144 4ZZ 0.00004 0.00009 -0.00878 0.00002 0.00000 145 4XY 0.00012 -0.00005 0.00000 0.00000 0.00002 146 4XZ 0.00003 0.00009 0.00006 0.00025 0.00000 147 4YZ 0.00015 -0.00006 0.00000 0.00000 0.00003 148 16 C 1S 0.00001 0.00000 -0.00012 0.70011 0.70429 149 2S 0.00026 0.00018 -0.00038 0.03450 0.03570 150 2PX 0.00026 0.00007 0.00006 0.00041 0.00036 151 2PY -0.00013 -0.00008 -0.00014 -0.00024 0.00010 152 2PZ 0.00020 0.00005 0.00002 0.00060 0.00067 153 3S -0.00216 -0.00065 0.00089 -0.00711 -0.01901 154 3PX -0.00110 -0.00006 0.00066 0.00005 -0.00024 155 3PY 0.00056 0.00031 0.00057 0.00049 -0.00480 156 3PZ -0.00097 0.00004 0.00080 -0.00079 -0.00265 157 4XX 0.00012 0.00001 0.00007 -0.00637 -0.00613 158 4YY 0.00014 -0.00006 -0.00003 -0.00643 -0.00591 159 4ZZ 0.00006 -0.00001 -0.00003 -0.00633 -0.00606 160 4XY -0.00006 -0.00005 0.00004 -0.00009 0.00002 161 4XZ 0.00007 0.00001 0.00018 0.00019 0.00019 162 4YZ -0.00005 -0.00005 0.00000 0.00007 0.00001 163 17 H 1S 0.00006 0.00017 -0.00018 -0.00007 0.00000 164 2S 0.00005 0.00012 0.00240 0.00015 0.00000 165 18 H 1S 0.00004 0.00011 -0.00007 -0.00013 0.00000 166 2S 0.00006 0.00016 0.00276 -0.00005 0.00000 167 19 O 1S 0.90840 0.40035 -0.00007 -0.00003 -0.00014 168 2S 0.02352 0.01044 0.00001 0.00009 -0.00035 169 2PX -0.00024 -0.00010 -0.00009 0.00008 0.00006 170 2PY 0.00082 0.00034 0.00000 0.00004 -0.00003 171 2PZ -0.00010 -0.00002 -0.00006 0.00006 0.00002 172 3S 0.01215 0.00515 0.00114 -0.00001 0.00352 173 3PX -0.00037 -0.00005 0.00053 -0.00028 -0.00045 174 3PY 0.00031 0.00024 -0.00039 -0.00072 0.00031 175 3PZ -0.00014 -0.00006 0.00039 -0.00014 0.00008 176 4XX -0.00753 -0.00329 -0.00010 -0.00015 -0.00038 177 4YY -0.00758 -0.00339 -0.00050 -0.00004 -0.00038 178 4ZZ -0.00754 -0.00330 -0.00002 -0.00008 -0.00034 179 4XY -0.00001 0.00000 -0.00016 0.00009 0.00017 180 4XZ -0.00003 -0.00004 -0.00020 -0.00032 -0.00038 181 4YZ -0.00002 -0.00001 -0.00020 0.00004 0.00013 182 20 H 1S -0.00003 -0.00001 0.00001 0.00005 0.00013 183 2S -0.00012 0.00001 0.00012 0.00049 0.00083 184 21 H 1S 0.00002 -0.00003 0.00001 0.00005 -0.00013 185 2S 0.00010 -0.00007 0.00012 0.00049 -0.00082 186 22 H 1S 0.00001 0.00012 0.00006 -0.00026 0.00012 187 2S 0.00009 0.00008 0.00039 0.00140 -0.00070 188 23 H 1S 0.00008 0.00009 0.00006 -0.00026 -0.00012 189 2S -0.00001 0.00012 0.00039 0.00139 0.00070 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 0.01205 0.01181 -0.00068 0.00056 0.69866 2 2S 0.00009 0.00019 -0.00022 0.00022 0.03469 3 2PX 0.00000 -0.00013 -0.00005 0.00008 0.00024 4 2PY -0.00015 -0.00006 0.00007 0.00004 0.00014 5 2PZ -0.00013 -0.00016 -0.00011 0.00007 -0.00002 6 3S 0.01081 0.00299 0.00053 -0.00042 -0.00755 7 3PX 0.00404 0.00108 0.00034 -0.00050 -0.00091 8 3PY -0.00106 0.00045 0.00003 -0.00006 -0.00069 9 3PZ 0.00433 0.00099 0.00033 -0.00030 -0.00041 10 4XX -0.00023 -0.00022 -0.00007 0.00004 -0.00669 11 4YY -0.00031 -0.00020 -0.00002 0.00003 -0.00674 12 4ZZ -0.00025 -0.00026 -0.00004 0.00003 -0.00662 13 4XY -0.00010 -0.00012 0.00007 -0.00002 0.00000 14 4XZ -0.00004 -0.00003 0.00005 -0.00004 0.00011 15 4YZ -0.00009 -0.00009 0.00000 0.00005 -0.00001 16 2 C 1S 0.71915 0.68455 -0.01407 0.01374 -0.01229 17 2S 0.03734 0.03424 -0.00083 0.00072 -0.00083 18 2PX 0.00031 0.00010 -0.00001 -0.00004 0.00019 19 2PY -0.00053 -0.00010 0.00005 0.00002 0.00009 20 2PZ 0.00005 -0.00001 -0.00012 -0.00008 0.00010 21 3S -0.02238 -0.01200 0.00288 -0.00389 0.00248 22 3PX 0.00038 -0.00020 0.00061 -0.00047 -0.00092 23 3PY 0.00669 0.00096 -0.00039 0.00097 -0.00060 24 3PZ -0.00040 -0.00004 0.00169 -0.00177 -0.00083 25 4XX -0.00612 -0.00626 -0.00001 -0.00007 -0.00002 26 4YY -0.00601 -0.00606 0.00008 -0.00004 0.00009 27 4ZZ -0.00616 -0.00619 -0.00013 0.00010 0.00000 28 4XY 0.00004 0.00009 0.00003 -0.00006 -0.00003 29 4XZ 0.00005 0.00016 -0.00004 0.00002 -0.00008 30 4YZ 0.00003 0.00003 0.00006 -0.00003 -0.00001 31 3 C 1S 0.01402 0.01350 0.70610 -0.69809 0.00037 32 2S 0.00036 0.00050 0.03551 -0.03582 -0.00015 33 2PX 0.00010 0.00003 0.00001 -0.00002 0.00010 34 2PY -0.00007 -0.00001 0.00003 0.00003 0.00004 35 2PZ -0.00022 0.00006 -0.00014 0.00019 0.00004 36 3S 0.00761 0.00259 -0.01080 0.01966 0.00035 37 3PX -0.00214 -0.00033 -0.00002 0.00000 -0.00037 38 3PY -0.00036 0.00042 -0.00119 -0.00268 0.00002 39 3PZ -0.00306 -0.00120 0.00087 -0.00191 -0.00019 40 4XX -0.00016 -0.00023 -0.00631 0.00597 -0.00007 41 4YY -0.00022 -0.00024 -0.00667 0.00593 -0.00005 42 4ZZ -0.00020 -0.00032 -0.00640 0.00607 0.00000 43 4XY 0.00005 0.00003 0.00000 0.00000 -0.00001 44 4XZ -0.00007 -0.00006 -0.00003 0.00004 0.00004 45 4YZ 0.00016 0.00016 0.00005 0.00005 -0.00002 46 4 C 1S -0.01334 0.01417 0.69784 0.70634 0.00037 47 2S -0.00033 0.00051 0.03509 0.03623 -0.00015 48 2PX -0.00010 0.00004 0.00001 0.00002 0.00010 49 2PY -0.00007 0.00001 -0.00003 0.00003 -0.00004 50 2PZ 0.00022 0.00005 -0.00014 -0.00020 0.00004 51 3S -0.00748 0.00296 -0.01057 -0.01979 0.00034 52 3PX 0.00212 -0.00044 -0.00002 0.00000 -0.00037 53 3PY -0.00038 -0.00040 0.00122 -0.00267 -0.00002 54 3PZ 0.00299 -0.00135 0.00085 0.00192 -0.00019 55 4XX 0.00015 -0.00024 -0.00624 -0.00605 -0.00007 56 4YY 0.00021 -0.00025 -0.00660 -0.00601 -0.00005 57 4ZZ 0.00018 -0.00033 -0.00633 -0.00615 0.00000 58 4XY 0.00005 -0.00003 0.00000 0.00000 0.00001 59 4XZ 0.00007 -0.00006 -0.00003 -0.00004 0.00004 60 4YZ 0.00015 -0.00017 -0.00006 0.00005 0.00002 61 5 C 1S -0.68486 0.71885 -0.01391 -0.01390 -0.01241 62 2S -0.03563 0.03602 -0.00083 -0.00073 -0.00084 63 2PX -0.00031 0.00012 -0.00001 0.00004 0.00019 64 2PY -0.00052 0.00013 -0.00005 0.00002 -0.00009 65 2PZ -0.00005 -0.00001 -0.00012 0.00008 0.00010 66 3S 0.02177 -0.01307 0.00283 0.00393 0.00253 67 3PX -0.00038 -0.00018 0.00061 0.00048 -0.00093 68 3PY 0.00663 -0.00128 0.00038 0.00097 0.00061 69 3PZ 0.00040 -0.00006 0.00167 0.00179 -0.00083 70 4XX 0.00580 -0.00655 -0.00001 0.00007 -0.00002 71 4YY 0.00570 -0.00635 0.00008 0.00004 0.00009 72 4ZZ 0.00585 -0.00648 -0.00013 -0.00010 0.00000 73 4XY 0.00004 -0.00010 -0.00003 -0.00007 0.00003 74 4XZ -0.00004 0.00016 -0.00004 -0.00002 -0.00008 75 4YZ 0.00003 -0.00004 -0.00006 -0.00003 0.00001 76 6 C 1S -0.01147 0.01238 -0.00068 -0.00057 0.70492 77 2S -0.00008 0.00020 -0.00022 -0.00022 0.03501 78 2PX -0.00001 -0.00013 -0.00005 -0.00008 0.00024 79 2PY -0.00014 0.00007 -0.00007 0.00004 -0.00013 80 2PZ 0.00012 -0.00016 -0.00010 -0.00007 -0.00002 81 3S -0.01065 0.00351 0.00052 0.00042 -0.00770 82 3PX -0.00399 0.00128 0.00034 0.00050 -0.00093 83 3PY -0.00108 -0.00040 -0.00003 -0.00006 0.00066 84 3PZ -0.00428 0.00120 0.00032 0.00030 -0.00043 85 4XX 0.00021 -0.00024 -0.00007 -0.00004 -0.00674 86 4YY 0.00030 -0.00022 -0.00002 -0.00003 -0.00679 87 4ZZ 0.00024 -0.00027 -0.00004 -0.00003 -0.00668 88 4XY -0.00010 0.00013 -0.00007 -0.00002 -0.00001 89 4XZ 0.00004 -0.00003 0.00005 0.00004 0.00011 90 4YZ -0.00009 0.00009 0.00000 0.00005 0.00001 91 7 H 1S 0.00006 -0.00007 0.00001 -0.00001 -0.00031 92 2S 0.00114 0.00027 0.00026 -0.00024 0.00134 93 8 H 1S -0.00021 -0.00011 -0.00011 0.00006 -0.00004 94 2S 0.00029 0.00168 -0.00002 0.00006 0.00009 95 9 H 1S -0.00013 -0.00009 -0.00010 -0.00031 0.00001 96 2S 0.00060 0.00009 0.00221 -0.00210 0.00030 97 10 H 1S 0.00012 -0.00010 -0.00010 0.00031 0.00001 98 2S -0.00059 0.00012 0.00219 0.00213 0.00031 99 11 H 1S 0.00020 -0.00012 -0.00011 -0.00006 -0.00004 100 2S -0.00021 0.00169 -0.00002 -0.00006 0.00009 101 12 H 1S -0.00007 -0.00007 0.00001 0.00001 -0.00031 102 2S -0.00113 0.00033 0.00026 0.00024 0.00135 103 13 C 1S -0.00020 -0.00010 0.00002 0.00002 0.00002 104 2S -0.00129 -0.00055 -0.00014 0.00039 -0.00005 105 2PX 0.00020 0.00009 0.00004 -0.00004 0.00014 106 2PY -0.00009 0.00005 0.00016 0.00001 0.00000 107 2PZ -0.00006 -0.00003 -0.00016 0.00021 -0.00001 108 3S 0.00930 0.00223 0.00026 -0.00367 -0.00014 109 3PX -0.00092 -0.00050 0.00034 -0.00111 -0.00079 110 3PY -0.00196 0.00063 -0.00050 0.00201 -0.00015 111 3PZ 0.00319 0.00059 0.00082 -0.00242 -0.00038 112 4XX -0.00005 -0.00003 -0.00012 0.00011 -0.00014 113 4YY -0.00026 -0.00015 -0.00008 0.00005 -0.00006 114 4ZZ -0.00024 -0.00015 -0.00009 0.00012 -0.00013 115 4XY 0.00005 -0.00007 0.00002 -0.00005 -0.00006 116 4XZ -0.00003 -0.00007 0.00005 -0.00009 -0.00008 117 4YZ -0.00004 0.00006 0.00005 0.00004 -0.00006 118 14 O 1S 0.00010 0.00003 0.00006 -0.00003 -0.00004 119 2S 0.00051 0.00013 0.00028 -0.00016 -0.00019 120 2PX -0.00008 -0.00004 -0.00001 -0.00002 0.00000 121 2PY -0.00003 0.00000 -0.00002 -0.00003 0.00001 122 2PZ 0.00002 -0.00003 0.00002 0.00001 0.00003 123 3S -0.00310 -0.00067 -0.00150 0.00145 0.00101 124 3PX 0.00132 0.00045 0.00023 -0.00052 -0.00029 125 3PY 0.00048 -0.00011 0.00044 -0.00019 -0.00015 126 3PZ 0.00022 0.00026 -0.00014 -0.00022 -0.00032 127 4XX 0.00012 0.00002 0.00016 0.00001 -0.00008 128 4YY 0.00031 0.00009 0.00011 -0.00007 -0.00011 129 4ZZ 0.00036 0.00012 0.00019 -0.00006 -0.00009 130 4XY -0.00006 -0.00001 -0.00004 0.00004 0.00004 131 4XZ -0.00002 -0.00002 0.00000 -0.00002 0.00005 132 4YZ 0.00000 0.00001 0.00001 0.00004 0.00004 133 15 C 1S 0.00000 0.00002 0.00000 0.00000 -0.00001 134 2S 0.00000 0.00018 -0.00003 0.00000 -0.00008 135 2PX 0.00000 -0.00011 0.00002 0.00000 0.00000 136 2PY 0.00012 0.00000 0.00000 -0.00002 0.00000 137 2PZ 0.00000 0.00006 -0.00010 0.00000 0.00003 138 3S -0.00002 -0.00087 0.00104 0.00001 0.00030 139 3PX 0.00002 0.00065 -0.00041 0.00000 0.00000 140 3PY -0.00024 0.00001 0.00000 0.00026 0.00000 141 3PZ 0.00000 -0.00018 0.00032 0.00000 -0.00006 142 4XX 0.00000 0.00007 -0.00007 0.00000 -0.00002 143 4YY 0.00000 0.00001 0.00003 0.00000 0.00001 144 4ZZ 0.00000 0.00006 -0.00001 0.00000 -0.00004 145 4XY -0.00005 0.00000 0.00000 -0.00003 0.00000 146 4XZ 0.00000 -0.00003 0.00001 0.00000 0.00000 147 4YZ 0.00004 0.00000 0.00000 -0.00002 0.00000 148 16 C 1S 0.00019 -0.00011 0.00002 -0.00002 0.00002 149 2S 0.00126 -0.00061 -0.00013 -0.00039 -0.00005 150 2PX -0.00020 0.00010 0.00004 0.00004 0.00015 151 2PY -0.00009 -0.00004 -0.00016 0.00001 0.00000 152 2PZ 0.00006 -0.00003 -0.00015 -0.00021 0.00000 153 3S -0.00918 0.00268 0.00022 0.00368 -0.00015 154 3PX 0.00089 -0.00054 0.00033 0.00112 -0.00081 155 3PY -0.00199 -0.00053 0.00048 0.00201 0.00015 156 3PZ -0.00315 0.00074 0.00079 0.00243 -0.00039 157 4XX 0.00005 -0.00003 -0.00012 -0.00011 -0.00014 158 4YY 0.00025 -0.00017 -0.00008 -0.00005 -0.00006 159 4ZZ 0.00023 -0.00016 -0.00008 -0.00012 -0.00013 160 4XY 0.00005 0.00007 -0.00002 -0.00005 0.00006 161 4XZ 0.00003 -0.00007 0.00005 0.00009 -0.00008 162 4YZ -0.00004 -0.00005 -0.00006 0.00004 0.00006 163 17 H 1S 0.00000 -0.00002 -0.00002 0.00000 -0.00001 164 2S -0.00001 -0.00026 0.00013 0.00000 -0.00005 165 18 H 1S 0.00000 0.00009 -0.00004 0.00000 0.00001 166 2S 0.00001 0.00032 -0.00076 0.00000 -0.00006 167 19 O 1S -0.00010 0.00003 0.00006 0.00003 -0.00004 168 2S -0.00050 0.00015 0.00028 0.00016 -0.00019 169 2PX 0.00007 -0.00004 -0.00001 0.00002 0.00000 170 2PY -0.00003 0.00000 0.00002 -0.00003 -0.00001 171 2PZ -0.00002 -0.00002 0.00002 0.00000 0.00003 172 3S 0.00306 -0.00082 -0.00148 -0.00147 0.00103 173 3PX -0.00129 0.00051 0.00023 0.00053 -0.00029 174 3PY 0.00048 0.00008 -0.00044 -0.00020 0.00015 175 3PZ -0.00021 0.00027 -0.00015 0.00022 -0.00032 176 4XX -0.00012 0.00003 0.00016 -0.00001 -0.00008 177 4YY -0.00031 0.00011 0.00011 0.00007 -0.00012 178 4ZZ -0.00035 0.00014 0.00019 0.00006 -0.00010 179 4XY -0.00006 0.00001 0.00004 0.00004 -0.00004 180 4XZ 0.00002 -0.00002 0.00000 0.00002 0.00006 181 4YZ 0.00000 -0.00001 -0.00001 0.00004 -0.00004 182 20 H 1S 0.00039 -0.00013 -0.00009 0.00020 -0.00005 183 2S 0.00014 0.00014 0.00177 0.00178 -0.00014 184 21 H 1S -0.00040 -0.00011 -0.00009 -0.00020 -0.00005 185 2S -0.00013 0.00014 0.00179 -0.00176 -0.00013 186 22 H 1S -0.00022 -0.00014 0.00008 -0.00014 -0.00011 187 2S 0.00039 -0.00029 0.00058 -0.00118 -0.00007 188 23 H 1S 0.00022 -0.00015 0.00008 0.00014 -0.00011 189 2S -0.00040 -0.00027 0.00057 0.00118 -0.00007 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 0.70521 -0.00034 -0.00002 -0.09538 0.01853 2 2S 0.03573 0.00232 -0.00271 0.18221 -0.03474 3 2PX 0.00026 0.00108 -0.00075 0.03994 -0.00117 4 2PY -0.00029 -0.00042 -0.00050 -0.02998 0.00677 5 2PZ 0.00005 0.00015 -0.00009 0.03308 -0.00783 6 3S -0.01701 -0.00445 0.02195 0.11188 -0.03009 7 3PX -0.00240 -0.00292 0.00854 0.00063 -0.00202 8 3PY 0.00337 0.00016 -0.01026 -0.00183 0.00014 9 3PZ -0.00172 -0.00115 0.00564 -0.00174 -0.00222 10 4XX -0.00649 0.00025 -0.00018 -0.00440 0.00179 11 4YY -0.00614 0.00030 -0.00009 0.00298 -0.00056 12 4ZZ -0.00640 0.00041 -0.00045 -0.00337 0.00066 13 4XY 0.00012 -0.00008 -0.00026 0.00028 -0.00023 14 4XZ 0.00014 -0.00007 0.00015 0.00711 -0.00167 15 4YZ 0.00004 -0.00005 -0.00006 -0.00046 0.00014 16 2 C 1S -0.01210 -0.00188 0.00246 -0.09140 0.01321 17 2S -0.00074 0.00225 -0.00017 0.17063 -0.02625 18 2PX 0.00009 0.00154 -0.00109 -0.02432 0.01434 19 2PY 0.00010 -0.00063 -0.00058 -0.04654 0.00801 20 2PZ 0.00002 -0.00023 0.00070 0.00317 -0.01051 21 3S 0.00447 0.00685 -0.02164 0.13187 -0.01328 22 3PX -0.00093 0.00007 -0.00423 -0.00049 0.00160 23 3PY -0.00162 -0.00219 0.01160 -0.01393 -0.00134 24 3PZ -0.00061 -0.00034 -0.00364 0.00078 -0.00607 25 4XX -0.00009 0.00010 0.00015 -0.00551 0.00153 26 4YY -0.00006 -0.00028 0.00082 0.00086 -0.00027 27 4ZZ -0.00002 -0.00022 0.00068 -0.00068 -0.00068 28 4XY -0.00005 -0.00001 0.00005 0.00343 -0.00111 29 4XZ -0.00016 0.00007 -0.00012 0.00599 -0.00192 30 4YZ -0.00006 0.00001 0.00009 -0.00074 0.00092 31 3 C 1S 0.00027 -0.00166 0.00115 -0.08158 0.02465 32 2S -0.00014 0.00239 -0.00198 0.15286 -0.04710 33 2PX 0.00008 0.00108 -0.00111 -0.01409 0.00546 34 2PY -0.00003 0.00017 -0.00083 -0.01819 0.00662 35 2PZ 0.00009 -0.00087 0.00018 -0.03442 0.00014 36 3S -0.00017 -0.00019 0.00794 0.11365 -0.03489 37 3PX -0.00035 0.00161 -0.00279 -0.00242 0.00123 38 3PY -0.00006 -0.00161 0.00171 -0.00282 0.00328 39 3PZ -0.00004 -0.00105 -0.00241 -0.00208 0.00027 40 4XX -0.00005 0.00007 -0.00018 -0.00223 0.00040 41 4YY -0.00004 -0.00016 0.00028 0.00150 -0.00058 42 4ZZ -0.00001 -0.00021 0.00035 0.00107 0.00072 43 4XY 0.00004 0.00001 0.00000 -0.00006 -0.00006 44 4XZ 0.00002 -0.00030 0.00037 0.00194 -0.00065 45 4YZ 0.00001 -0.00008 0.00004 -0.00015 -0.00012 46 4 C 1S -0.00026 -0.00166 -0.00115 -0.08158 0.02466 47 2S 0.00014 0.00239 0.00198 0.15285 -0.04711 48 2PX -0.00007 0.00108 0.00111 -0.01409 0.00546 49 2PY -0.00003 -0.00017 -0.00083 0.01820 -0.00662 50 2PZ -0.00009 -0.00087 -0.00018 -0.03441 0.00014 51 3S 0.00017 -0.00019 -0.00794 0.11365 -0.03489 52 3PX 0.00035 0.00161 0.00280 -0.00241 0.00123 53 3PY -0.00006 0.00162 0.00171 0.00282 -0.00327 54 3PZ 0.00004 -0.00105 0.00241 -0.00208 0.00027 55 4XX 0.00005 0.00007 0.00018 -0.00223 0.00040 56 4YY 0.00004 -0.00016 -0.00028 0.00150 -0.00058 57 4ZZ 0.00001 -0.00021 -0.00035 0.00107 0.00072 58 4XY 0.00004 -0.00001 0.00000 0.00006 0.00006 59 4XZ -0.00002 -0.00030 -0.00037 0.00194 -0.00065 60 4YZ 0.00001 0.00008 0.00004 0.00015 0.00012 61 5 C 1S 0.01199 -0.00188 -0.00246 -0.09139 0.01323 62 2S 0.00074 0.00225 0.00017 0.17062 -0.02628 63 2PX -0.00009 0.00154 0.00109 -0.02431 0.01434 64 2PY 0.00010 0.00063 -0.00058 0.04654 -0.00801 65 2PZ -0.00002 -0.00023 -0.00070 0.00318 -0.01051 66 3S -0.00445 0.00685 0.02164 0.13186 -0.01331 67 3PX 0.00093 0.00007 0.00423 -0.00049 0.00160 68 3PY -0.00161 0.00219 0.01160 0.01392 0.00134 69 3PZ 0.00060 -0.00034 0.00365 0.00078 -0.00606 70 4XX 0.00009 0.00010 -0.00015 -0.00551 0.00153 71 4YY 0.00006 -0.00028 -0.00082 0.00087 -0.00027 72 4ZZ 0.00002 -0.00022 -0.00068 -0.00068 -0.00068 73 4XY -0.00005 0.00001 0.00005 -0.00343 0.00112 74 4XZ 0.00016 0.00007 0.00012 0.00599 -0.00192 75 4YZ -0.00006 -0.00001 0.00009 0.00074 -0.00092 76 6 C 1S -0.69895 -0.00034 0.00002 -0.09538 0.01854 77 2S -0.03542 0.00232 0.00271 0.18221 -0.03476 78 2PX -0.00026 0.00108 0.00075 0.03994 -0.00118 79 2PY -0.00029 0.00042 -0.00050 0.02997 -0.00676 80 2PZ -0.00005 0.00015 0.00009 0.03308 -0.00784 81 3S 0.01694 -0.00444 -0.02195 0.11188 -0.03009 82 3PX 0.00239 -0.00291 -0.00854 0.00064 -0.00202 83 3PY 0.00338 -0.00016 -0.01026 0.00183 -0.00013 84 3PZ 0.00171 -0.00115 -0.00564 -0.00174 -0.00222 85 4XX 0.00643 0.00025 0.00018 -0.00440 0.00179 86 4YY 0.00608 0.00030 0.00009 0.00298 -0.00056 87 4ZZ 0.00634 0.00041 0.00045 -0.00337 0.00066 88 4XY 0.00012 0.00008 -0.00026 -0.00028 0.00023 89 4XZ -0.00014 -0.00007 -0.00015 0.00711 -0.00167 90 4YZ 0.00004 0.00005 -0.00006 0.00046 -0.00014 91 7 H 1S -0.00025 0.00012 0.00004 0.03708 -0.00829 92 2S 0.00075 -0.00043 0.00320 0.00181 -0.00145 93 8 H 1S 0.00001 0.00044 -0.00093 0.03736 -0.00454 94 2S 0.00013 0.00104 -0.00364 0.00636 0.00024 95 9 H 1S 0.00002 0.00209 -0.00253 0.03706 -0.01329 96 2S 0.00033 0.00186 -0.00188 0.00200 -0.00618 97 10 H 1S -0.00002 0.00210 0.00254 0.03706 -0.01329 98 2S -0.00032 0.00186 0.00187 0.00200 -0.00618 99 11 H 1S -0.00001 0.00044 0.00093 0.03736 -0.00455 100 2S -0.00012 0.00104 0.00364 0.00635 0.00024 101 12 H 1S 0.00025 0.00012 -0.00004 0.03708 -0.00830 102 2S -0.00074 -0.00043 -0.00320 0.00181 -0.00145 103 13 C 1S 0.00001 -0.05621 0.04408 -0.02571 -0.12241 104 2S 0.00003 0.10426 -0.08664 0.05207 0.24580 105 2PX 0.00007 0.05979 -0.06053 -0.01488 0.02205 106 2PY -0.00003 -0.00912 -0.04360 -0.01419 -0.06650 107 2PZ 0.00003 0.04382 -0.04455 0.00150 -0.00993 108 3S -0.00084 0.03495 0.00910 0.03217 0.17211 109 3PX -0.00159 -0.00366 0.01821 -0.00320 -0.00226 110 3PY 0.00011 0.00021 -0.01692 -0.00195 -0.01028 111 3PZ -0.00139 -0.00408 0.02568 -0.00107 -0.00590 112 4XX -0.00012 0.00382 -0.00644 -0.00140 -0.00970 113 4YY -0.00005 -0.00147 0.00861 0.00137 0.00604 114 4ZZ -0.00006 -0.00073 -0.00180 -0.00082 -0.00696 115 4XY 0.00002 0.00226 -0.00613 0.00011 0.00065 116 4XZ -0.00007 0.01131 -0.01155 -0.00055 0.00474 117 4YZ -0.00005 0.00084 -0.00358 -0.00099 -0.00231 118 14 O 1S -0.00006 -0.13125 0.15242 0.00883 0.01419 119 2S -0.00030 0.28412 -0.33479 -0.02049 -0.03359 120 2PX 0.00002 -0.02241 0.03039 -0.02008 -0.12266 121 2PY 0.00000 -0.08689 0.06083 0.00854 0.03561 122 2PZ 0.00003 -0.00835 0.01426 -0.01174 -0.10844 123 3S 0.00184 0.28832 -0.35799 -0.02275 -0.03739 124 3PX -0.00052 -0.00923 0.02342 -0.00987 -0.05543 125 3PY -0.00020 -0.05298 0.03672 0.00479 0.01555 126 3PZ -0.00040 -0.00214 0.01099 -0.00502 -0.04936 127 4XX -0.00012 -0.00171 0.00000 0.00129 0.00396 128 4YY -0.00019 0.00722 0.00050 -0.00136 -0.00583 129 4ZZ -0.00016 -0.00460 0.00387 0.00018 0.00101 130 4XY 0.00004 0.00045 -0.00198 0.00195 0.01122 131 4XZ 0.00005 0.00716 -0.00771 0.00022 0.00388 132 4YZ 0.00003 -0.00191 0.00021 0.00132 0.01023 133 15 C 1S 0.00000 -0.08320 0.00000 0.01834 0.11738 134 2S 0.00000 0.16015 0.00000 -0.03863 -0.24499 135 2PX 0.00000 -0.06128 0.00000 0.00171 -0.01012 136 2PY -0.00002 0.00001 -0.12748 0.00000 0.00000 137 2PZ 0.00000 -0.05993 -0.00001 0.00672 -0.00417 138 3S 0.00000 0.02856 0.00000 -0.02224 -0.17824 139 3PX 0.00000 0.00866 0.00000 -0.00494 -0.00891 140 3PY 0.00011 0.00000 -0.00620 0.00000 0.00000 141 3PZ 0.00000 0.01227 0.00000 -0.00136 -0.00931 142 4XX 0.00000 -0.00116 0.00000 0.00107 0.00503 143 4YY 0.00000 0.00726 0.00000 -0.00129 -0.00324 144 4ZZ 0.00000 -0.00224 0.00000 0.00059 0.00459 145 4XY 0.00000 0.00000 0.01755 0.00000 0.00000 146 4XZ 0.00000 0.00959 0.00000 -0.00019 0.00357 147 4YZ -0.00001 0.00000 0.01777 0.00000 0.00000 148 16 C 1S -0.00001 -0.05621 -0.04408 -0.02570 -0.12240 149 2S -0.00003 0.10426 0.08664 0.05206 0.24580 150 2PX -0.00007 0.05979 0.06053 -0.01488 0.02205 151 2PY -0.00003 0.00911 -0.04361 0.01419 0.06650 152 2PZ -0.00003 0.04382 0.04454 0.00150 -0.00991 153 3S 0.00084 0.03495 -0.00909 0.03217 0.17211 154 3PX 0.00159 -0.00366 -0.01821 -0.00320 -0.00226 155 3PY 0.00011 -0.00021 -0.01692 0.00195 0.01028 156 3PZ 0.00139 -0.00408 -0.02569 -0.00106 -0.00590 157 4XX 0.00011 0.00382 0.00644 -0.00140 -0.00970 158 4YY 0.00005 -0.00147 -0.00861 0.00137 0.00604 159 4ZZ 0.00006 -0.00073 0.00180 -0.00082 -0.00696 160 4XY 0.00002 -0.00226 -0.00613 -0.00011 -0.00065 161 4XZ 0.00007 0.01131 0.01155 -0.00055 0.00474 162 4YZ -0.00005 -0.00084 -0.00358 0.00100 0.00231 163 17 H 1S 0.00000 0.02455 0.00000 -0.01041 -0.07732 164 2S 0.00000 0.00139 0.00000 0.00001 -0.01628 165 18 H 1S 0.00000 0.02534 0.00000 -0.00825 -0.07516 166 2S 0.00000 -0.00230 0.00000 0.00196 -0.01513 167 19 O 1S 0.00006 -0.13125 -0.15242 0.00883 0.01419 168 2S 0.00030 0.28412 0.33479 -0.02049 -0.03359 169 2PX -0.00002 -0.02242 -0.03040 -0.02008 -0.12266 170 2PY 0.00000 0.08689 0.06083 -0.00854 -0.03559 171 2PZ -0.00003 -0.00833 -0.01425 -0.01174 -0.10844 172 3S -0.00183 0.28832 0.35799 -0.02274 -0.03739 173 3PX 0.00052 -0.00924 -0.02342 -0.00987 -0.05543 174 3PY -0.00020 0.05298 0.03672 -0.00479 -0.01554 175 3PZ 0.00040 -0.00213 -0.01098 -0.00502 -0.04937 176 4XX 0.00012 -0.00171 0.00000 0.00129 0.00396 177 4YY 0.00019 0.00722 -0.00050 -0.00136 -0.00582 178 4ZZ 0.00016 -0.00460 -0.00387 0.00018 0.00101 179 4XY 0.00004 -0.00045 -0.00198 -0.00195 -0.01122 180 4XZ -0.00004 0.00716 0.00771 0.00022 0.00388 181 4YZ 0.00003 0.00191 0.00021 -0.00132 -0.01024 182 20 H 1S 0.00005 0.00050 0.00061 0.03921 -0.01538 183 2S 0.00007 0.00121 0.00136 0.00321 -0.00367 184 21 H 1S -0.00005 0.00050 -0.00061 0.03922 -0.01538 185 2S -0.00007 0.00121 -0.00136 0.00320 -0.00367 186 22 H 1S -0.00023 0.01251 -0.01447 0.01509 0.06814 187 2S -0.00031 -0.00345 0.00847 0.00255 0.01258 188 23 H 1S 0.00023 0.01251 0.01447 0.01508 0.06813 189 2S 0.00031 -0.00346 -0.00847 0.00255 0.01258 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 0.10572 0.06440 0.01274 0.00727 0.08066 2 2S -0.20540 -0.12805 -0.02553 -0.01530 -0.16378 3 2PX -0.00706 -0.04459 0.01059 -0.00458 -0.02125 4 2PY 0.05184 -0.07807 0.00820 -0.00964 -0.10415 5 2PZ 0.01100 -0.03744 -0.00022 0.00672 0.00047 6 3S -0.15237 -0.07285 -0.02503 -0.00478 -0.12773 7 3PX 0.00249 0.00657 0.00269 0.00316 0.00806 8 3PY 0.00493 -0.02229 0.00068 -0.00246 -0.03749 9 3PZ 0.00882 0.01008 -0.00274 0.00497 0.01708 10 4XX 0.00670 -0.00004 0.00186 -0.00029 0.00146 11 4YY -0.00490 0.00641 -0.00089 0.00069 0.00748 12 4ZZ 0.00601 -0.00096 0.00004 0.00053 0.00057 13 4XY 0.00084 -0.00408 -0.00012 -0.00034 -0.00109 14 4XZ -0.00472 -0.00713 -0.00106 -0.00002 -0.00613 15 4YZ 0.00176 -0.00269 0.00031 0.00080 0.00192 16 2 C 1S 0.00747 0.12444 -0.00049 -0.00481 0.02264 17 2S -0.01418 -0.24080 0.00018 0.01118 -0.04691 18 2PX 0.05829 0.02709 0.01392 -0.00123 0.09492 19 2PY 0.01148 0.00553 -0.00032 -0.00308 0.00526 20 2PZ 0.09022 -0.00674 -0.00712 0.04279 0.13781 21 3S -0.01431 -0.21043 0.00800 0.00039 -0.04358 22 3PX 0.00996 0.00285 -0.00010 -0.00202 0.02376 23 3PY 0.00625 0.00250 -0.00512 0.00312 -0.00098 24 3PZ 0.01542 0.00010 -0.00379 0.01692 0.03504 25 4XX -0.00218 0.00700 -0.00029 -0.00204 -0.00229 26 4YY -0.00061 0.00073 0.00012 0.00009 -0.00081 27 4ZZ 0.00531 0.00138 -0.00010 0.00213 0.00682 28 4XY -0.00503 -0.00333 -0.00124 -0.00048 -0.00396 29 4XZ -0.00164 -0.00666 -0.00099 0.00147 -0.00268 30 4YZ -0.00739 0.00133 0.00059 -0.00148 -0.00523 31 3 C 1S -0.11129 0.06713 0.00650 -0.03433 -0.09318 32 2S 0.21416 -0.13013 -0.01235 0.06896 0.18931 33 2PX 0.00844 0.01551 0.00763 -0.00345 0.01268 34 2PY -0.03642 -0.06529 0.00103 0.03476 0.09507 35 2PZ 0.01722 0.04146 -0.00619 0.00551 0.02003 36 3S 0.18755 -0.10781 -0.01229 0.06572 0.17956 37 3PX 0.00519 0.00524 0.00451 0.00040 0.00931 38 3PY -0.00547 -0.01783 -0.00001 0.00860 0.03889 39 3PZ 0.00638 0.00269 -0.00014 0.00279 0.01637 40 4XX -0.00074 -0.00076 0.00011 0.00151 0.00477 41 4YY 0.00374 0.00741 -0.00015 -0.00368 -0.01016 42 4ZZ -0.00473 -0.00512 0.00047 0.00010 -0.00048 43 4XY 0.00066 0.00119 -0.00021 -0.00017 0.00150 44 4XZ -0.00196 -0.00236 -0.00017 -0.00002 -0.00246 45 4YZ 0.00143 0.00346 0.00009 0.00087 0.00254 46 4 C 1S -0.11132 -0.06709 0.00649 0.03432 0.09318 47 2S 0.21421 0.13006 -0.01233 -0.06894 -0.18931 48 2PX 0.00843 -0.01552 0.00763 0.00344 -0.01270 49 2PY 0.03639 -0.06529 -0.00104 0.03477 0.09508 50 2PZ 0.01721 -0.04148 -0.00619 -0.00549 -0.02000 51 3S 0.18759 0.10775 -0.01226 -0.06571 -0.17955 52 3PX 0.00519 -0.00524 0.00451 -0.00040 -0.00932 53 3PY 0.00546 -0.01783 0.00001 0.00861 0.03889 54 3PZ 0.00638 -0.00270 -0.00014 -0.00279 -0.01635 55 4XX -0.00074 0.00076 0.00011 -0.00151 -0.00477 56 4YY 0.00374 -0.00741 -0.00015 0.00368 0.01016 57 4ZZ -0.00473 0.00513 0.00047 -0.00010 0.00048 58 4XY -0.00066 0.00119 0.00021 -0.00017 0.00150 59 4XZ -0.00196 0.00236 -0.00017 0.00002 0.00246 60 4YZ -0.00143 0.00345 -0.00009 0.00087 0.00255 61 5 C 1S 0.00742 -0.12444 -0.00049 0.00483 -0.02264 62 2S -0.01409 0.24081 0.00018 -0.01122 0.04691 63 2PX 0.05829 -0.02711 0.01393 0.00121 -0.09494 64 2PY -0.01151 0.00554 0.00031 -0.00305 0.00530 65 2PZ 0.09022 0.00671 -0.00711 -0.04279 -0.13780 66 3S -0.01424 0.21043 0.00800 -0.00043 0.04358 67 3PX 0.00996 -0.00285 -0.00010 0.00201 -0.02376 68 3PY -0.00626 0.00250 0.00511 0.00313 -0.00097 69 3PZ 0.01542 -0.00011 -0.00379 -0.01691 -0.03504 70 4XX -0.00218 -0.00700 -0.00029 0.00204 0.00229 71 4YY -0.00061 -0.00073 0.00012 -0.00009 0.00081 72 4ZZ 0.00531 -0.00138 -0.00010 -0.00213 -0.00682 73 4XY 0.00503 -0.00333 0.00124 -0.00048 -0.00396 74 4XZ -0.00163 0.00666 -0.00099 -0.00147 0.00267 75 4YZ 0.00739 0.00133 -0.00059 -0.00148 -0.00523 76 6 C 1S 0.10570 -0.06444 0.01274 -0.00728 -0.08066 77 2S -0.20536 0.12813 -0.02554 0.01532 0.16377 78 2PX -0.00705 0.04458 0.01059 0.00456 0.02123 79 2PY -0.05187 -0.07806 -0.00820 -0.00961 -0.10416 80 2PZ 0.01101 0.03741 -0.00022 -0.00673 -0.00048 81 3S -0.15234 0.07291 -0.02503 0.00481 0.12772 82 3PX 0.00249 -0.00658 0.00269 -0.00316 -0.00807 83 3PY -0.00493 -0.02229 -0.00068 -0.00246 -0.03748 84 3PZ 0.00882 -0.01008 -0.00274 -0.00497 -0.01708 85 4XX 0.00670 0.00004 0.00186 0.00029 -0.00146 86 4YY -0.00490 -0.00641 -0.00089 -0.00069 -0.00748 87 4ZZ 0.00601 0.00096 0.00004 -0.00053 -0.00057 88 4XY -0.00085 -0.00408 0.00012 -0.00033 -0.00109 89 4XZ -0.00472 0.00713 -0.00107 0.00002 0.00613 90 4YZ -0.00176 -0.00269 -0.00031 0.00080 0.00192 91 7 H 1S -0.06123 -0.03835 -0.01005 -0.00876 -0.08124 92 2S -0.01269 -0.00261 -0.00389 -0.00344 -0.02734 93 8 H 1S -0.00151 -0.07839 0.00120 0.00005 -0.01615 94 2S -0.00162 -0.01907 0.00015 -0.00331 -0.00473 95 9 H 1S 0.07057 -0.04276 -0.00107 0.03079 0.09334 96 2S 0.01290 -0.00874 -0.00180 0.01475 0.03179 97 10 H 1S 0.07058 0.04274 -0.00105 -0.03078 -0.09334 98 2S 0.01290 0.00873 -0.00180 -0.01475 -0.03179 99 11 H 1S -0.00148 0.07839 0.00120 -0.00008 0.01615 100 2S -0.00161 0.01907 0.00015 0.00330 0.00473 101 12 H 1S -0.06122 0.03838 -0.01005 0.00877 0.08123 102 2S -0.01269 0.00262 -0.00389 0.00344 0.02734 103 13 C 1S -0.00475 0.01206 -0.07241 0.09540 -0.02251 104 2S 0.00927 -0.02322 0.14730 -0.19676 0.04503 105 2PX 0.00303 0.01227 -0.08531 -0.03100 0.01198 106 2PY -0.00304 -0.01516 -0.15593 -0.13080 0.03061 107 2PZ 0.00726 -0.00044 -0.08062 0.01986 0.00233 108 3S 0.00866 -0.02694 0.12860 -0.18872 0.05487 109 3PX 0.00050 0.00446 -0.02247 0.00190 0.00808 110 3PY 0.00014 0.00038 -0.02897 -0.02719 0.00268 111 3PZ 0.00263 -0.00237 -0.01968 0.01219 0.00727 112 4XX -0.00120 0.00037 -0.01419 0.00289 -0.00136 113 4YY 0.00015 0.00102 0.00714 0.00733 -0.00180 114 4ZZ 0.00048 0.00010 -0.00463 -0.00003 0.00049 115 4XY 0.00019 0.00103 -0.00809 -0.00478 0.00178 116 4XZ -0.00033 0.00044 -0.00622 -0.00762 0.00190 117 4YZ -0.00006 0.00039 -0.00772 0.00424 -0.00014 118 14 O 1S 0.00235 -0.00715 0.07106 -0.02547 0.00812 119 2S -0.00547 0.01658 -0.16574 0.05880 -0.01852 120 2PX -0.01378 0.01548 0.07316 0.18528 -0.05830 121 2PY 0.00428 -0.00677 -0.08876 -0.05657 0.01760 122 2PZ -0.00318 0.00675 0.06652 0.16880 -0.04085 123 3S -0.00823 0.02076 -0.22093 0.08043 -0.03086 124 3PX -0.00676 0.00714 0.02849 0.08559 -0.02718 125 3PY 0.00336 -0.00377 -0.04835 -0.02426 0.00915 126 3PZ -0.00012 0.00251 0.02632 0.07956 -0.01598 127 4XX 0.00056 -0.00102 -0.00023 -0.00599 0.00168 128 4YY -0.00086 0.00046 0.01010 0.00336 -0.00115 129 4ZZ 0.00012 -0.00029 0.00085 -0.00283 0.00068 130 4XY 0.00114 -0.00052 -0.00146 -0.00716 0.00216 131 4XZ -0.00032 -0.00003 0.00109 -0.00506 0.00057 132 4YZ 0.00038 -0.00035 -0.00257 -0.00696 0.00168 133 15 C 1S 0.00912 0.00001 -0.12225 0.00000 0.00000 134 2S -0.01980 -0.00001 0.25807 0.00001 0.00001 135 2PX -0.00442 0.00000 0.06480 0.00000 0.00000 136 2PY 0.00000 0.01881 -0.00001 0.21590 -0.06312 137 2PZ 0.00607 0.00000 0.06778 0.00002 -0.00001 138 3S -0.01503 -0.00001 0.24382 0.00001 0.00001 139 3PX -0.00669 0.00000 0.02131 0.00000 0.00000 140 3PY 0.00000 0.00189 0.00000 0.05677 -0.01520 141 3PZ -0.00182 0.00000 0.02828 0.00001 0.00000 142 4XX 0.00069 0.00000 0.00236 0.00000 0.00000 143 4YY -0.00042 0.00000 -0.01362 0.00000 0.00000 144 4ZZ 0.00029 0.00000 0.00146 0.00000 0.00000 145 4XY 0.00000 -0.00129 0.00000 -0.01287 0.00323 146 4XZ -0.00007 0.00000 -0.00553 0.00000 0.00000 147 4YZ 0.00000 -0.00186 0.00000 -0.01406 0.00448 148 16 C 1S -0.00475 -0.01207 -0.07241 -0.09541 0.02250 149 2S 0.00928 0.02324 0.14729 0.19678 -0.04501 150 2PX 0.00302 -0.01226 -0.08531 0.03100 -0.01197 151 2PY 0.00304 -0.01515 0.15595 -0.13077 0.03064 152 2PZ 0.00726 0.00043 -0.08058 -0.01990 -0.00233 153 3S 0.00868 0.02696 0.12859 0.18873 -0.05486 154 3PX 0.00049 -0.00446 -0.02247 -0.00190 -0.00808 155 3PY -0.00014 0.00039 0.02897 -0.02718 0.00269 156 3PZ 0.00264 0.00237 -0.01968 -0.01220 -0.00727 157 4XX -0.00120 -0.00037 -0.01419 -0.00289 0.00136 158 4YY 0.00015 -0.00102 0.00714 -0.00733 0.00180 159 4ZZ 0.00048 -0.00010 -0.00463 0.00003 -0.00050 160 4XY -0.00019 0.00103 0.00809 -0.00478 0.00178 161 4XZ -0.00033 -0.00044 -0.00622 0.00762 -0.00190 162 4YZ 0.00006 0.00039 0.00772 0.00423 -0.00014 163 17 H 1S -0.00772 0.00000 0.11585 0.00000 0.00001 164 2S 0.00021 0.00000 0.03820 0.00000 0.00000 165 18 H 1S -0.00190 -0.00001 0.11587 0.00000 0.00000 166 2S 0.00654 0.00000 0.03555 0.00000 0.00000 167 19 O 1S 0.00235 0.00715 0.07106 0.02548 -0.00812 168 2S -0.00548 -0.01658 -0.16574 -0.05881 0.01850 169 2PX -0.01379 -0.01549 0.07316 -0.18528 0.05831 170 2PY -0.00429 -0.00677 0.08875 -0.05652 0.01760 171 2PZ -0.00318 -0.00677 0.06654 -0.16881 0.04085 172 3S -0.00824 -0.02076 -0.22092 -0.08045 0.03084 173 3PX -0.00676 -0.00714 0.02849 -0.08559 0.02718 174 3PY -0.00336 -0.00377 0.04835 -0.02424 0.00915 175 3PZ -0.00013 -0.00252 0.02633 -0.07957 0.01597 176 4XX 0.00056 0.00102 -0.00023 0.00599 -0.00168 177 4YY -0.00086 -0.00046 0.01009 -0.00336 0.00116 178 4ZZ 0.00012 0.00029 0.00085 0.00283 -0.00068 179 4XY -0.00114 -0.00052 0.00146 -0.00716 0.00216 180 4XZ -0.00032 0.00003 0.00109 0.00506 -0.00057 181 4YZ -0.00038 -0.00035 0.00258 -0.00696 0.00168 182 20 H 1S 0.06843 0.04373 -0.00807 -0.03305 -0.08667 183 2S 0.01613 0.00723 -0.00284 -0.01301 -0.03160 184 21 H 1S 0.06841 -0.04375 -0.00808 0.03306 0.08667 185 2S 0.01612 -0.00724 -0.00285 0.01302 0.03160 186 22 H 1S -0.00059 -0.01420 0.05360 -0.11567 0.02285 187 2S -0.00151 -0.00614 0.01636 -0.04773 0.01077 188 23 H 1S -0.00058 0.01420 0.05359 0.11567 -0.02285 189 2S -0.00151 0.00614 0.01636 0.04773 -0.01077 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 0.05700 -0.00370 -0.00456 -0.00525 -0.06954 2 2S -0.11520 0.00603 0.00978 0.00987 0.14349 3 2PX 0.08940 -0.01931 -0.02768 -0.11645 -0.06288 4 2PY 0.13460 -0.00267 0.00743 0.12255 0.08214 5 2PZ 0.08850 -0.03279 -0.05975 -0.14404 -0.07086 6 3S -0.10505 0.01671 0.01735 0.01927 0.15380 7 3PX 0.02722 -0.00291 -0.00619 -0.03702 -0.02733 8 3PY 0.02907 0.00142 0.00399 0.03503 0.03359 9 3PZ 0.02889 -0.00949 -0.01935 -0.04668 -0.03176 10 4XX 0.00703 -0.00040 0.00076 -0.00090 -0.00320 11 4YY -0.00385 0.00038 0.00101 0.00204 -0.00904 12 4ZZ 0.00294 -0.00007 -0.00049 0.00341 0.00280 13 4XY 0.00455 -0.00015 -0.00020 0.00210 -0.00786 14 4XZ 0.00046 -0.00055 -0.00003 0.00132 0.00555 15 4YZ 0.00465 -0.00026 -0.00027 0.00046 -0.00926 16 2 C 1S -0.10221 0.01243 0.00591 -0.00758 0.06160 17 2S 0.20674 -0.02605 -0.01125 0.01797 -0.12766 18 2PX 0.00355 0.00929 0.04269 0.01431 -0.07389 19 2PY 0.07521 0.01895 0.04312 0.19958 -0.11921 20 2PZ -0.00523 -0.00864 -0.02145 -0.01118 -0.01967 21 3S 0.19341 -0.02643 -0.01499 0.01836 -0.14638 22 3PX 0.00839 0.00957 0.01713 -0.00485 -0.03068 23 3PY 0.03143 0.00913 0.02112 0.08102 -0.04702 24 3PZ -0.00418 -0.00263 -0.00587 -0.01018 -0.00078 25 4XX -0.00818 0.00096 0.00299 -0.00020 0.00863 26 4YY 0.00404 -0.00063 0.00065 0.00238 -0.01114 27 4ZZ -0.00854 0.00206 0.00006 0.00181 0.00992 28 4XY 0.00041 0.00000 -0.00187 -0.00216 0.00004 29 4XZ -0.00002 -0.00128 0.00078 0.00152 0.00499 30 4YZ -0.00150 -0.00002 0.00103 -0.00081 0.00208 31 3 C 1S 0.04252 -0.00808 0.00682 -0.00557 -0.04544 32 2S -0.08562 0.01802 -0.01496 0.01014 0.09133 33 2PX -0.02395 0.00211 0.09665 0.03188 0.00769 34 2PY 0.07744 -0.00185 0.02339 0.08418 0.03414 35 2PZ -0.10177 0.03755 0.00527 0.10170 0.10455 36 3S -0.08413 0.01121 -0.01994 0.02786 0.12228 37 3PX -0.00901 -0.00468 0.04047 0.01507 0.00724 38 3PY 0.02420 -0.00042 0.00272 0.03835 0.00864 39 3PZ -0.03481 0.01451 -0.00661 0.04013 0.04435 40 4XX -0.00235 0.00083 0.00328 0.00497 0.00641 41 4YY -0.00228 0.00097 -0.00078 0.00096 -0.00755 42 4ZZ 0.00760 -0.00105 -0.00188 -0.00214 -0.00294 43 4XY -0.00165 0.00026 0.00069 -0.00075 0.00126 44 4XZ 0.00378 -0.00097 0.00063 -0.00322 -0.00274 45 4YZ -0.00494 0.00010 -0.00096 -0.00328 0.00987 46 4 C 1S 0.04252 -0.00808 0.00682 -0.00557 0.04544 47 2S -0.08563 0.01802 -0.01495 0.01014 -0.09135 48 2PX -0.02396 0.00211 0.09666 0.03187 -0.00779 49 2PY -0.07741 0.00184 -0.02338 -0.08420 0.03414 50 2PZ -0.10178 0.03755 0.00527 0.10168 -0.10450 51 3S -0.08413 0.01120 -0.01993 0.02787 -0.12230 52 3PX -0.00902 -0.00469 0.04046 0.01506 -0.00729 53 3PY -0.02419 0.00042 -0.00271 -0.03836 0.00864 54 3PZ -0.03482 0.01451 -0.00661 0.04012 -0.04433 55 4XX -0.00235 0.00082 0.00329 0.00497 -0.00641 56 4YY -0.00228 0.00097 -0.00078 0.00095 0.00754 57 4ZZ 0.00760 -0.00105 -0.00189 -0.00213 0.00294 58 4XY 0.00165 -0.00026 -0.00069 0.00075 0.00126 59 4XZ 0.00378 -0.00097 0.00063 -0.00323 0.00274 60 4YZ 0.00494 -0.00010 0.00095 0.00328 0.00987 61 5 C 1S -0.10221 0.01243 0.00593 -0.00757 -0.06160 62 2S 0.20674 -0.02605 -0.01129 0.01797 0.12767 63 2PX 0.00354 0.00928 0.04264 0.01427 0.07384 64 2PY -0.07521 -0.01894 -0.04309 -0.19958 -0.11925 65 2PZ -0.00525 -0.00864 -0.02149 -0.01122 0.01965 66 3S 0.19341 -0.02641 -0.01502 0.01836 0.14637 67 3PX 0.00838 0.00956 0.01711 -0.00486 0.03066 68 3PY -0.03143 -0.00912 -0.02110 -0.08101 -0.04705 69 3PZ -0.00419 -0.00263 -0.00588 -0.01019 0.00077 70 4XX -0.00818 0.00096 0.00300 -0.00020 -0.00863 71 4YY 0.00404 -0.00063 0.00064 0.00238 0.01114 72 4ZZ -0.00854 0.00206 0.00006 0.00181 -0.00992 73 4XY -0.00041 0.00000 0.00187 0.00216 0.00005 74 4XZ -0.00002 -0.00128 0.00078 0.00152 -0.00499 75 4YZ 0.00150 0.00002 -0.00103 0.00081 0.00209 76 6 C 1S 0.05700 -0.00370 -0.00459 -0.00524 0.06954 77 2S -0.11519 0.00604 0.00983 0.00986 -0.14349 78 2PX 0.08937 -0.01931 -0.02769 -0.11647 0.06289 79 2PY -0.13463 0.00267 -0.00745 -0.12250 0.08209 80 2PZ 0.08848 -0.03278 -0.05976 -0.14405 0.07087 81 3S -0.10504 0.01671 0.01740 0.01926 -0.15379 82 3PX 0.02722 -0.00291 -0.00620 -0.03703 0.02734 83 3PY -0.02908 -0.00142 -0.00400 -0.03502 0.03357 84 3PZ 0.02888 -0.00949 -0.01936 -0.04669 0.03177 85 4XX 0.00702 -0.00040 0.00076 -0.00090 0.00320 86 4YY -0.00385 0.00038 0.00100 0.00204 0.00904 87 4ZZ 0.00294 -0.00007 -0.00049 0.00341 -0.00280 88 4XY -0.00455 0.00015 0.00021 -0.00210 -0.00786 89 4XZ 0.00046 -0.00054 -0.00003 0.00131 -0.00556 90 4YZ -0.00466 0.00026 0.00027 -0.00046 -0.00926 91 7 H 1S -0.06454 0.01841 0.03452 0.12050 0.13843 92 2S -0.02740 0.01176 0.02237 0.08523 0.08666 93 8 H 1S 0.11678 0.00021 0.02013 0.11151 -0.13178 94 2S 0.05092 0.00380 0.01351 0.06812 -0.08343 95 9 H 1S -0.04246 0.01139 0.05537 0.04764 0.06776 96 2S -0.01761 0.01371 0.05148 0.02204 0.03710 97 10 H 1S -0.04246 0.01138 0.05539 0.04761 -0.06777 98 2S -0.01761 0.01371 0.05151 0.02202 -0.03710 99 11 H 1S 0.11678 0.00021 0.02010 0.11150 0.13179 100 2S 0.05092 0.00380 0.01349 0.06812 0.08344 101 12 H 1S -0.06453 0.01841 0.03456 0.12050 -0.13842 102 2S -0.02740 0.01176 0.02239 0.08522 -0.08665 103 13 C 1S 0.00938 -0.01088 -0.00407 0.00035 0.00588 104 2S -0.02083 0.02184 0.00862 -0.00108 -0.01077 105 2PX -0.02356 -0.04637 -0.05097 0.03423 0.05262 106 2PY 0.04752 0.19533 0.06025 -0.03874 -0.01149 107 2PZ 0.00371 -0.15377 0.06749 -0.01086 0.03788 108 3S -0.00966 0.04435 0.01529 -0.00642 -0.01815 109 3PX -0.00746 -0.00762 -0.02764 0.01432 0.01824 110 3PY 0.01394 0.06106 0.01984 -0.01141 -0.00885 111 3PZ 0.00437 -0.05090 0.03234 -0.00446 0.00577 112 4XX 0.00152 -0.00174 -0.00691 0.00150 0.00273 113 4YY -0.00087 0.00133 -0.00001 0.00014 -0.00111 114 4ZZ 0.00115 0.00280 0.00727 -0.00239 -0.00125 115 4XY 0.00091 0.00669 0.00442 -0.00441 0.00558 116 4XZ -0.00110 -0.00280 0.00205 0.00093 0.00326 117 4YZ 0.00074 0.00165 0.00110 -0.00030 0.00424 118 14 O 1S -0.00787 -0.02952 -0.00277 0.01110 -0.00414 119 2S 0.01893 0.06741 0.00642 -0.02494 0.00879 120 2PX 0.00466 0.05353 -0.16048 0.03339 -0.06331 121 2PY 0.02735 0.19859 0.08016 -0.06939 0.01149 122 2PZ 0.00854 -0.05732 0.12567 -0.03150 -0.05849 123 3S 0.02411 0.09922 0.00695 -0.04170 0.02137 124 3PX 0.00461 0.03584 -0.08927 0.01747 -0.03354 125 3PY 0.01586 0.11636 0.04812 -0.04077 0.00388 126 3PZ 0.00535 -0.02719 0.07607 -0.01900 -0.02974 127 4XX 0.00143 0.00629 0.00441 -0.00253 -0.00040 128 4YY -0.00198 -0.01676 -0.00726 0.00596 -0.00110 129 4ZZ 0.00065 0.00841 0.00325 -0.00174 -0.00074 130 4XY -0.00205 -0.01180 0.00815 -0.00047 0.00280 131 4XZ 0.00007 0.00511 -0.00055 -0.00080 -0.00002 132 4YZ -0.00149 -0.00144 -0.01119 0.00382 0.00235 133 15 C 1S -0.00096 -0.01077 -0.00554 -0.00027 0.00000 134 2S 0.00286 0.02344 0.00836 0.00201 0.00001 135 2PX 0.01562 0.22011 -0.14689 0.00046 -0.00004 136 2PY 0.00002 -0.00001 -0.00003 0.00002 -0.07078 137 2PZ 0.00729 0.07973 0.30137 -0.09949 0.00007 138 3S 0.00474 0.04138 0.02727 -0.00855 0.00001 139 3PX 0.00845 0.08451 -0.07300 0.00356 -0.00001 140 3PY 0.00001 0.00000 -0.00001 0.00001 -0.02804 141 3PZ 0.00408 0.01925 0.11941 -0.04302 0.00003 142 4XX -0.00055 -0.00014 -0.00211 0.00084 0.00000 143 4YY 0.00114 -0.00245 -0.00482 0.00048 0.00000 144 4ZZ -0.00100 -0.00010 0.00614 -0.00098 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00227 146 4XZ -0.00164 -0.01453 -0.00686 0.00449 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00290 148 16 C 1S 0.00936 -0.01088 -0.00407 0.00035 -0.00589 149 2S -0.02080 0.02184 0.00862 -0.00108 0.01079 150 2PX -0.02354 -0.04638 -0.05096 0.03425 -0.05261 151 2PY -0.04754 -0.19530 -0.06027 0.03874 -0.01150 152 2PZ 0.00369 -0.15381 0.06747 -0.01084 -0.03788 153 3S -0.00963 0.04436 0.01529 -0.00642 0.01816 154 3PX -0.00746 -0.00762 -0.02763 0.01432 -0.01824 155 3PY -0.01394 -0.06105 -0.01984 0.01141 -0.00886 156 3PZ 0.00436 -0.05091 0.03234 -0.00446 -0.00578 157 4XX 0.00152 -0.00174 -0.00691 0.00150 -0.00273 158 4YY -0.00087 0.00133 -0.00001 0.00014 0.00111 159 4ZZ 0.00115 0.00280 0.00727 -0.00239 0.00126 160 4XY -0.00092 -0.00669 -0.00442 0.00440 0.00558 161 4XZ -0.00110 -0.00280 0.00205 0.00093 -0.00325 162 4YZ -0.00074 -0.00165 -0.00111 0.00030 0.00424 163 17 H 1S 0.00690 0.10833 -0.09034 0.00870 -0.00003 164 2S 0.00243 0.06408 -0.05002 0.00280 -0.00002 165 18 H 1S 0.00034 0.02997 0.17195 -0.04819 0.00005 166 2S -0.00428 0.02516 0.10560 -0.02521 0.00003 167 19 O 1S -0.00787 -0.02952 -0.00277 0.01110 0.00414 168 2S 0.01892 0.06741 0.00642 -0.02494 -0.00879 169 2PX 0.00462 0.05353 -0.16048 0.03338 0.06324 170 2PY -0.02736 -0.19858 -0.08019 0.06939 0.01145 171 2PZ 0.00850 -0.05737 0.12565 -0.03151 0.05853 172 3S 0.02410 0.09922 0.00695 -0.04169 -0.02137 173 3PX 0.00459 0.03584 -0.08928 0.01746 0.03350 174 3PY -0.01586 -0.11636 -0.04814 0.04077 0.00386 175 3PZ 0.00532 -0.02721 0.07606 -0.01900 0.02976 176 4XX 0.00143 0.00629 0.00441 -0.00253 0.00040 177 4YY -0.00199 -0.01676 -0.00726 0.00596 0.00109 178 4ZZ 0.00065 0.00841 0.00325 -0.00174 0.00074 179 4XY 0.00204 0.01180 -0.00815 0.00046 0.00280 180 4XZ 0.00007 0.00512 -0.00055 -0.00080 0.00002 181 4YZ 0.00149 0.00143 0.01119 -0.00382 0.00236 182 20 H 1S -0.04641 0.01879 -0.03239 0.04632 -0.08452 183 2S -0.02136 0.00974 -0.01511 0.03115 -0.05213 184 21 H 1S -0.04640 0.01879 -0.03240 0.04630 0.08456 185 2S -0.02136 0.00974 -0.01512 0.03114 0.05216 186 22 H 1S 0.00745 0.12876 0.00465 -0.00974 -0.03701 187 2S 0.00579 0.07793 0.00772 -0.00247 -0.02723 188 23 H 1S 0.00747 0.12876 0.00465 -0.00975 0.03702 189 2S 0.00580 0.07793 0.00772 -0.00248 0.02725 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 0.01120 0.00120 -0.00259 0.00504 0.00674 2 2S -0.02096 -0.00220 0.00791 -0.01054 -0.01764 3 2PX 0.01416 0.00926 -0.03107 -0.15429 -0.12104 4 2PY -0.01103 -0.05719 -0.03608 -0.19641 0.01487 5 2PZ 0.03524 -0.05816 -0.01681 -0.07672 -0.16408 6 3S -0.03569 -0.00516 -0.00333 -0.01434 -0.02553 7 3PX -0.00017 0.00837 -0.01601 -0.06153 -0.01631 8 3PY 0.00466 -0.01737 -0.01231 -0.07222 0.03690 9 3PZ 0.01224 -0.02820 -0.00607 -0.02507 -0.03668 10 4XX -0.00010 0.00217 -0.00089 -0.00437 -0.00157 11 4YY 0.00214 0.00037 0.00117 0.00309 0.00777 12 4ZZ 0.00008 -0.00265 0.00010 0.00260 -0.00083 13 4XY 0.00198 -0.00173 -0.00027 -0.00082 -0.00671 14 4XZ -0.00022 -0.00064 0.00069 -0.00131 -0.00156 15 4YZ 0.00367 -0.00012 -0.00047 -0.00073 -0.01097 16 2 C 1S -0.02374 -0.00058 -0.00395 -0.00060 0.02736 17 2S 0.04993 -0.00101 0.00774 0.00101 -0.06302 18 2PX -0.01203 0.10545 0.03942 0.12509 0.10106 19 2PY 0.02919 -0.01636 0.00075 0.03514 0.25433 20 2PZ 0.02251 0.00100 0.04134 0.23683 -0.03096 21 3S 0.05784 0.01166 0.01690 0.01219 -0.09500 22 3PX -0.00312 0.04404 0.01134 0.03646 0.04769 23 3PY 0.00934 -0.01976 -0.00857 0.00708 0.07515 24 3PZ 0.02116 -0.00503 0.01307 0.08431 -0.01001 25 4XX -0.00268 -0.00004 0.00022 -0.00440 -0.00057 26 4YY 0.00332 0.00143 0.00081 0.00260 0.01169 27 4ZZ -0.00431 -0.00110 -0.00159 0.00350 -0.00279 28 4XY 0.00058 -0.00365 -0.00091 -0.00120 -0.00320 29 4XZ 0.00067 0.00388 0.00245 -0.00455 0.00024 30 4YZ -0.00094 0.00053 -0.00121 -0.00457 -0.00081 31 3 C 1S 0.01410 -0.00518 -0.00044 0.00002 0.00885 32 2S -0.03009 0.01145 0.00052 0.00169 -0.01672 33 2PX -0.01786 0.22940 0.07297 -0.12360 0.12740 34 2PY -0.01118 -0.01030 0.01420 0.14019 0.01425 35 2PZ -0.04258 -0.10548 -0.07152 -0.15615 0.07834 36 3S -0.04059 0.01712 0.00841 0.00240 -0.05379 37 3PX 0.00232 0.10343 0.03544 -0.05639 0.06028 38 3PY -0.00918 0.00082 0.01009 0.06578 0.03114 39 3PZ -0.02057 -0.04030 -0.02590 -0.07064 0.02678 40 4XX -0.00244 0.00088 -0.00017 -0.00463 0.00344 41 4YY 0.00212 0.00102 -0.00008 -0.00205 0.00505 42 4ZZ 0.00061 -0.00332 -0.00083 0.00507 -0.00687 43 4XY -0.00150 0.00302 0.00087 -0.00124 0.00780 44 4XZ 0.00134 0.00828 0.00354 -0.00200 -0.00167 45 4YZ -0.00352 -0.00011 -0.00057 -0.00273 0.00142 46 4 C 1S -0.01410 -0.00514 -0.00043 0.00003 -0.00885 47 2S 0.03010 0.01138 0.00049 0.00168 0.01673 48 2PX 0.01813 0.22935 0.07295 -0.12350 -0.12751 49 2PY -0.01120 0.01038 -0.01417 -0.14017 0.01426 50 2PZ 0.04242 -0.10561 -0.07157 -0.15615 -0.07843 51 3S 0.04061 0.01703 0.00839 0.00238 0.05380 52 3PX -0.00220 0.10342 0.03544 -0.05635 -0.06034 53 3PY -0.00920 -0.00078 -0.01008 -0.06579 0.03113 54 3PZ 0.02051 -0.04036 -0.02592 -0.07065 -0.02682 55 4XX 0.00244 0.00088 -0.00017 -0.00463 -0.00344 56 4YY -0.00211 0.00103 -0.00008 -0.00205 -0.00505 57 4ZZ -0.00061 -0.00332 -0.00083 0.00507 0.00688 58 4XY -0.00150 -0.00302 -0.00087 0.00124 0.00780 59 4XZ -0.00133 0.00827 0.00354 -0.00200 0.00167 60 4YZ -0.00352 0.00013 0.00057 0.00272 0.00142 61 5 C 1S 0.02373 -0.00063 -0.00396 -0.00059 -0.02737 62 2S -0.04993 -0.00090 0.00778 0.00098 0.06302 63 2PX 0.01217 0.10545 0.03943 0.12517 -0.10092 64 2PY 0.02920 0.01627 -0.00080 -0.03534 0.25432 65 2PZ -0.02247 0.00101 0.04133 0.23680 0.03117 66 3S -0.05781 0.01179 0.01694 0.01213 0.09502 67 3PX 0.00317 0.04405 0.01135 0.03650 -0.04764 68 3PY 0.00937 0.01973 0.00855 -0.00715 0.07515 69 3PZ -0.02115 -0.00502 0.01307 0.08430 0.01008 70 4XX 0.00268 -0.00005 0.00022 -0.00440 0.00056 71 4YY -0.00332 0.00144 0.00081 0.00260 -0.01169 72 4ZZ 0.00431 -0.00112 -0.00159 0.00350 0.00279 73 4XY 0.00059 0.00365 0.00091 0.00121 -0.00320 74 4XZ -0.00067 0.00387 0.00245 -0.00454 -0.00024 75 4YZ -0.00094 -0.00052 0.00121 0.00457 -0.00081 76 6 C 1S -0.01120 0.00124 -0.00257 0.00504 -0.00673 77 2S 0.02096 -0.00227 0.00788 -0.01054 0.01763 78 2PX -0.01419 0.00933 -0.03105 -0.15433 0.12095 79 2PY -0.01094 0.05724 0.03611 0.19644 0.01496 80 2PZ -0.03531 -0.05807 -0.01678 -0.07680 0.16402 81 3S 0.03569 -0.00526 -0.00336 -0.01432 0.02551 82 3PX 0.00017 0.00838 -0.01600 -0.06151 0.01628 83 3PY 0.00469 0.01738 0.01231 0.07222 0.03694 84 3PZ -0.01228 -0.02817 -0.00606 -0.02507 0.03667 85 4XX 0.00010 0.00217 -0.00088 -0.00437 0.00156 86 4YY -0.00214 0.00037 0.00117 0.00309 -0.00776 87 4ZZ -0.00008 -0.00265 0.00010 0.00260 0.00083 88 4XY 0.00198 0.00173 0.00027 0.00083 -0.00671 89 4XZ 0.00022 -0.00064 0.00069 -0.00131 0.00156 90 4YZ 0.00367 0.00011 0.00047 0.00074 -0.01097 91 7 H 1S -0.03400 0.00339 0.00882 0.01603 0.11251 92 2S -0.02851 0.00150 0.00539 0.01587 0.10980 93 8 H 1S 0.03818 -0.00211 0.00456 0.02001 0.13988 94 2S 0.02417 0.00269 0.00595 0.01912 0.14217 95 9 H 1S -0.03164 0.09956 0.02827 -0.06374 0.08251 96 2S -0.02291 0.06368 0.00951 -0.04922 0.07450 97 10 H 1S 0.03175 0.09950 0.02825 -0.06365 -0.08257 98 2S 0.02297 0.06364 0.00949 -0.04914 -0.07455 99 11 H 1S -0.03818 -0.00202 0.00460 0.02008 -0.13986 100 2S -0.02416 0.00274 0.00597 0.01918 -0.14215 101 12 H 1S 0.03402 0.00329 0.00878 0.01611 -0.11250 102 2S 0.02852 0.00143 0.00537 0.01595 -0.10978 103 13 C 1S 0.04335 0.00846 -0.00357 -0.00432 0.00571 104 2S -0.08674 -0.02289 0.01068 0.00808 -0.00806 105 2PX 0.13353 -0.09458 0.13115 -0.02801 -0.01139 106 2PY -0.07245 -0.02201 0.00089 -0.01147 -0.00262 107 2PZ 0.20087 -0.03063 0.16376 -0.02589 0.02551 108 3S -0.13910 -0.00850 0.01256 0.01685 -0.04802 109 3PX 0.03562 -0.03422 0.04726 -0.00534 -0.00372 110 3PY -0.00528 -0.00616 0.00328 0.00033 0.01918 111 3PZ 0.05307 -0.00403 0.06048 -0.00699 0.01614 112 4XX 0.01110 0.00027 0.00659 -0.00396 -0.00160 113 4YY -0.00183 0.00046 -0.00230 0.00138 0.00149 114 4ZZ -0.00420 0.00122 -0.00650 0.00176 0.00185 115 4XY 0.01347 -0.00070 0.00450 -0.00022 -0.00121 116 4XZ 0.00595 -0.00538 0.00273 -0.00138 0.00025 117 4YZ 0.02186 -0.00208 0.00452 -0.00011 0.00320 118 14 O 1S -0.01680 -0.01267 0.02331 -0.00419 0.00047 119 2S 0.03654 0.02831 -0.05156 0.00895 -0.00287 120 2PX -0.20189 0.12894 -0.15367 0.02091 -0.04591 121 2PY 0.02966 0.00066 0.02249 0.01388 0.02101 122 2PZ -0.12174 0.05275 -0.18957 0.04672 0.05296 123 3S 0.08737 0.04948 -0.10462 0.01779 0.00119 124 3PX -0.10898 0.07182 -0.08055 0.01163 -0.03279 125 3PY 0.00787 0.00891 0.00852 0.00960 0.01277 126 3PZ -0.05879 0.02984 -0.10564 0.03040 0.03688 127 4XX 0.00009 -0.00067 0.00830 -0.00066 0.00101 128 4YY -0.00227 -0.00028 -0.00208 -0.00071 -0.00156 129 4ZZ -0.00539 -0.00300 0.00038 -0.00006 -0.00122 130 4XY 0.00858 -0.00645 0.00492 -0.00083 0.00145 131 4XZ -0.00199 -0.00354 0.00343 -0.00036 -0.00144 132 4YZ 0.00511 -0.00045 0.00949 -0.00241 -0.00199 133 15 C 1S 0.00001 0.01987 -0.02040 -0.00014 -0.00001 134 2S -0.00002 -0.04360 0.04006 0.00102 0.00002 135 2PX 0.00006 0.00865 0.29899 -0.03914 -0.00004 136 2PY -0.19148 0.00012 0.00002 0.00001 -0.00993 137 2PZ -0.00014 -0.19840 0.06919 0.01122 0.00001 138 3S -0.00002 -0.05148 0.05403 0.00650 0.00002 139 3PX 0.00002 -0.00575 0.10989 -0.00774 -0.00001 140 3PY -0.08924 0.00006 0.00001 0.00000 0.00178 141 3PZ -0.00006 -0.08661 0.01954 0.01502 0.00001 142 4XX 0.00000 -0.00317 0.02270 -0.00375 0.00000 143 4YY 0.00000 0.01639 -0.02990 0.00468 0.00000 144 4ZZ 0.00000 -0.01230 0.00792 -0.00148 0.00000 145 4XY 0.00391 0.00000 0.00000 0.00000 -0.00212 146 4XZ 0.00000 0.00184 -0.00456 -0.00025 0.00000 147 4YZ 0.00850 0.00000 -0.00001 0.00000 0.00433 148 16 C 1S -0.04334 0.00850 -0.00356 -0.00432 -0.00571 149 2S 0.08672 -0.02298 0.01065 0.00806 0.00806 150 2PX -0.13359 -0.09446 0.13120 -0.02800 0.01139 151 2PY -0.07239 0.02209 -0.00089 0.01149 -0.00267 152 2PZ -0.20086 -0.03042 0.16383 -0.02585 -0.02553 153 3S 0.13910 -0.00863 0.01251 0.01682 0.04801 154 3PX -0.03564 -0.03419 0.04727 -0.00534 0.00373 155 3PY -0.00526 0.00617 -0.00329 -0.00034 0.01917 156 3PZ -0.05305 -0.00397 0.06050 -0.00697 -0.01614 157 4XX -0.01110 0.00028 0.00659 -0.00395 0.00160 158 4YY 0.00182 0.00045 -0.00230 0.00138 -0.00149 159 4ZZ 0.00420 0.00122 -0.00650 0.00176 -0.00185 160 4XY 0.01347 0.00069 -0.00451 0.00022 -0.00121 161 4XZ -0.00595 -0.00537 0.00273 -0.00138 -0.00025 162 4YZ 0.02186 0.00206 -0.00452 0.00011 0.00320 163 17 H 1S 0.00004 -0.00169 0.19585 -0.02668 -0.00002 164 2S 0.00003 0.00841 0.14793 -0.02503 -0.00002 165 18 H 1S -0.00007 -0.12927 0.03819 0.00245 0.00001 166 2S -0.00004 -0.07777 0.03192 -0.01652 0.00000 167 19 O 1S 0.01679 -0.01268 0.02331 -0.00419 -0.00046 168 2S -0.03654 0.02834 -0.05155 0.00895 0.00285 169 2PX 0.20199 0.12873 -0.15374 0.02087 0.04589 170 2PY 0.02964 -0.00070 -0.02246 -0.01390 0.02108 171 2PZ 0.12173 0.05265 -0.18961 0.04673 -0.05294 172 3S -0.08737 0.04957 -0.10459 0.01780 -0.00123 173 3PX 0.10904 0.07171 -0.08059 0.01160 0.03278 174 3PY 0.00785 -0.00893 -0.00850 -0.00961 0.01281 175 3PZ 0.05879 0.02979 -0.10566 0.03041 -0.03687 176 4XX -0.00009 -0.00067 0.00830 -0.00066 -0.00101 177 4YY 0.00227 -0.00028 -0.00208 -0.00071 0.00156 178 4ZZ 0.00539 -0.00301 0.00038 -0.00006 0.00122 179 4XY 0.00859 0.00644 -0.00493 0.00083 0.00145 180 4XZ 0.00199 -0.00354 0.00343 -0.00036 0.00144 181 4YZ 0.00511 0.00045 -0.00949 0.00241 -0.00199 182 20 H 1S 0.02571 -0.12774 -0.05408 0.01220 0.02405 183 2S 0.01198 -0.10026 -0.04368 0.00922 0.01493 184 21 H 1S -0.02586 -0.12769 -0.05406 0.01226 -0.02407 185 2S -0.01210 -0.10023 -0.04367 0.00927 -0.01495 186 22 H 1S -0.18979 0.01015 -0.08951 0.01444 -0.01385 187 2S -0.14822 0.01125 -0.07275 0.00772 -0.00331 188 23 H 1S 0.18977 0.00996 -0.08957 0.01441 0.01388 189 2S 0.14821 0.01110 -0.07280 0.00770 0.00333 31 32 33 34 35 O O O O O Eigenvalues -- -0.38964 -0.38415 -0.37329 -0.35526 -0.34882 1 1 C 1S -0.00999 0.01764 0.01083 -0.00563 -0.00511 2 2S 0.02442 -0.04016 -0.02195 0.00836 0.01106 3 2PX 0.02173 -0.07886 -0.05001 0.02593 -0.06474 4 2PY -0.11437 0.19125 0.00073 0.00043 0.08213 5 2PZ 0.06210 -0.09331 -0.01744 0.01613 0.08544 6 3S 0.01835 -0.06651 -0.07764 0.05452 0.01058 7 3PX 0.00345 -0.03126 -0.03147 0.02535 -0.03995 8 3PY -0.03865 0.05037 0.01269 -0.00307 0.03212 9 3PZ 0.02361 -0.02974 -0.01972 0.01899 0.04541 10 4XX -0.00311 0.00315 -0.00321 0.00086 -0.00326 11 4YY 0.00326 -0.00571 0.00484 -0.00224 -0.00106 12 4ZZ -0.00360 0.00915 0.00062 -0.00079 0.00378 13 4XY 0.00093 -0.00115 -0.00197 0.00123 0.00182 14 4XZ -0.00264 0.00609 -0.00204 0.00113 0.00290 15 4YZ 0.00077 -0.00278 0.00017 0.00078 -0.00156 16 2 C 1S -0.00339 -0.00256 0.00623 -0.00443 -0.00778 17 2S 0.00582 0.00655 -0.01854 0.01276 0.01954 18 2PX -0.00252 0.01299 -0.05238 0.01323 -0.09596 19 2PY 0.01289 -0.05039 0.13676 -0.05872 -0.02132 20 2PZ 0.01551 0.03912 0.03081 -0.01262 0.06736 21 3S 0.01606 0.01083 0.01221 -0.01656 0.01464 22 3PX -0.00160 -0.01053 -0.05380 0.02956 -0.05666 23 3PY 0.00481 -0.00966 0.01683 -0.00962 -0.00985 24 3PZ 0.00693 -0.01470 0.01455 -0.00025 0.04227 25 4XX -0.00094 0.00035 -0.00514 0.00165 0.00137 26 4YY 0.00196 -0.00346 0.00662 -0.00265 -0.00410 27 4ZZ -0.00151 0.00076 -0.00026 -0.00010 -0.00218 28 4XY 0.00435 -0.00588 0.00128 -0.00025 0.00135 29 4XZ 0.00133 0.00137 -0.00401 0.00235 0.00624 30 4YZ 0.00223 -0.01022 -0.00122 0.00048 -0.00250 31 3 C 1S 0.00305 -0.02069 0.00249 -0.00130 -0.00272 32 2S -0.00755 0.04516 0.00035 0.00387 0.00792 33 2PX 0.08121 -0.04531 -0.15595 0.08163 0.08065 34 2PY 0.07395 -0.21889 0.01050 -0.00259 0.04210 35 2PZ 0.00720 -0.16430 0.09247 -0.04277 -0.06566 36 3S -0.00370 0.08486 -0.04622 -0.00035 -0.00103 37 3PX 0.03274 -0.01868 -0.06141 0.02250 0.03264 38 3PY 0.03468 -0.09032 0.04182 -0.01347 0.01866 39 3PZ 0.01608 -0.08315 0.06037 -0.02689 -0.02498 40 4XX 0.00435 -0.01049 -0.00122 0.00088 0.00329 41 4YY -0.00171 0.00682 0.00236 -0.00078 -0.00059 42 4ZZ -0.00110 -0.00219 0.00012 -0.00014 -0.00285 43 4XY 0.00073 -0.00053 -0.01121 0.00586 0.00004 44 4XZ 0.00447 0.00227 -0.00668 0.00433 0.00978 45 4YZ -0.00023 -0.00022 0.00379 -0.00186 -0.00002 46 4 C 1S 0.00306 -0.02068 -0.00248 0.00130 -0.00272 47 2S -0.00755 0.04515 -0.00037 -0.00386 0.00793 48 2PX 0.08124 -0.04524 0.15595 -0.08164 0.08059 49 2PY -0.07395 0.21893 0.01042 -0.00254 -0.04208 50 2PZ 0.00718 -0.16427 -0.09245 0.04277 -0.06563 51 3S -0.00373 0.08487 0.04619 0.00037 -0.00102 52 3PX 0.03277 -0.01865 0.06139 -0.02250 0.03262 53 3PY -0.03468 0.09034 0.04179 -0.01345 -0.01866 54 3PZ 0.01609 -0.08314 -0.06035 0.02688 -0.02493 55 4XX 0.00435 -0.01048 0.00123 -0.00089 0.00330 56 4YY -0.00171 0.00682 -0.00236 0.00079 -0.00059 57 4ZZ -0.00110 -0.00220 -0.00012 0.00015 -0.00286 58 4XY -0.00073 0.00052 -0.01121 0.00586 -0.00004 59 4XZ 0.00447 0.00227 0.00667 -0.00433 0.00977 60 4YZ 0.00023 0.00023 0.00379 -0.00186 0.00002 61 5 C 1S -0.00338 -0.00256 -0.00622 0.00442 -0.00778 62 2S 0.00581 0.00655 0.01853 -0.01276 0.01953 63 2PX -0.00249 0.01303 0.05233 -0.01321 -0.09596 64 2PY -0.01291 0.05038 0.13677 -0.05873 0.02133 65 2PZ 0.01548 0.03913 -0.03082 0.01262 0.06733 66 3S 0.01607 0.01080 -0.01224 0.01657 0.01467 67 3PX -0.00157 -0.01050 0.05377 -0.02955 -0.05667 68 3PY -0.00480 0.00966 0.01682 -0.00962 0.00987 69 3PZ 0.00694 -0.01470 -0.01456 0.00026 0.04226 70 4XX -0.00094 0.00035 0.00515 -0.00165 0.00137 71 4YY 0.00197 -0.00347 -0.00663 0.00265 -0.00410 72 4ZZ -0.00151 0.00077 0.00026 0.00010 -0.00218 73 4XY -0.00435 0.00588 0.00128 -0.00025 -0.00135 74 4XZ 0.00133 0.00138 0.00402 -0.00235 0.00624 75 4YZ -0.00222 0.01022 -0.00123 0.00048 0.00250 76 6 C 1S -0.00999 0.01763 -0.01083 0.00563 -0.00510 77 2S 0.02442 -0.04016 0.02196 -0.00836 0.01106 78 2PX 0.02175 -0.07891 0.05004 -0.02594 -0.06474 79 2PY 0.11436 -0.19123 0.00066 0.00047 -0.08213 80 2PZ 0.06209 -0.09336 0.01749 -0.01615 0.08544 81 3S 0.01834 -0.06648 0.07766 -0.05452 0.01054 82 3PX 0.00346 -0.03126 0.03148 -0.02535 -0.03996 83 3PY 0.03862 -0.05036 0.01266 -0.00305 -0.03213 84 3PZ 0.02361 -0.02974 0.01975 -0.01900 0.04539 85 4XX -0.00311 0.00315 0.00321 -0.00086 -0.00326 86 4YY 0.00326 -0.00571 -0.00484 0.00224 -0.00106 87 4ZZ -0.00360 0.00916 -0.00062 0.00079 0.00378 88 4XY -0.00093 0.00115 -0.00197 0.00123 -0.00182 89 4XZ -0.00264 0.00609 0.00204 -0.00113 0.00290 90 4YZ -0.00076 0.00278 0.00017 0.00078 0.00156 91 7 H 1S -0.06115 0.11467 0.01200 -0.01066 0.01681 92 2S -0.05781 0.11958 0.00973 -0.00875 0.01667 93 8 H 1S 0.01387 -0.03208 0.07863 -0.03236 -0.02009 94 2S 0.01011 -0.03590 0.08717 -0.02907 -0.02221 95 9 H 1S 0.06089 -0.08555 -0.08469 0.04661 0.05426 96 2S 0.04165 -0.08611 -0.09763 0.06870 0.05670 97 10 H 1S 0.06090 -0.08547 0.08476 -0.04665 0.05424 98 2S 0.04165 -0.08604 0.09770 -0.06874 0.05666 99 11 H 1S 0.01388 -0.03208 -0.07865 0.03237 -0.02009 100 2S 0.01013 -0.03590 -0.08719 0.02910 -0.02220 101 12 H 1S -0.06113 0.11469 -0.01201 0.01065 0.01680 102 2S -0.05780 0.11960 -0.00974 0.00875 0.01665 103 13 C 1S 0.01689 0.00694 0.01729 0.03095 -0.00027 104 2S -0.03769 -0.01690 -0.03517 -0.07035 0.00351 105 2PX 0.11956 0.02817 0.05553 -0.07432 0.12388 106 2PY 0.23109 0.11832 -0.00839 0.00356 -0.18250 107 2PZ -0.09960 -0.03291 -0.08251 -0.04468 -0.12772 108 3S -0.05887 -0.02341 -0.07142 -0.10611 0.00159 109 3PX 0.05942 0.01763 0.05557 0.00859 0.08671 110 3PY 0.05969 0.02882 0.01931 0.05217 -0.05864 111 3PZ -0.04602 -0.00577 -0.03759 0.01252 -0.08091 112 4XX 0.01016 0.00359 0.00611 -0.00543 0.00039 113 4YY -0.00909 -0.00439 0.00396 0.01151 0.00543 114 4ZZ 0.00693 0.00473 -0.00790 -0.00274 -0.00897 115 4XY -0.00675 -0.00170 0.00604 0.00330 -0.00188 116 4XZ 0.00732 0.00269 -0.00251 -0.00900 -0.00648 117 4YZ -0.00407 -0.00262 -0.00412 0.00351 0.00620 118 14 O 1S 0.03751 0.01425 -0.01761 -0.03612 -0.01841 119 2S -0.07462 -0.02607 0.03965 0.07271 0.03595 120 2PX -0.04357 -0.02394 0.17543 0.06750 0.13861 121 2PY -0.20891 -0.08341 0.09719 0.41167 0.10606 122 2PZ -0.11696 -0.03180 -0.20952 0.03334 -0.09784 123 3S -0.17861 -0.07432 0.06346 0.13343 0.08452 124 3PX -0.02992 -0.01449 0.12787 0.04961 0.09596 125 3PY -0.12844 -0.05036 0.06190 0.27481 0.06921 126 3PZ -0.07708 -0.02164 -0.13952 0.02383 -0.06025 127 4XX -0.00403 -0.00040 -0.00514 0.00060 -0.01004 128 4YY 0.01542 0.00641 -0.00349 -0.02028 -0.00698 129 4ZZ 0.00532 0.00242 0.00345 0.00181 0.00747 130 4XY 0.00010 -0.00003 -0.00861 -0.00813 -0.00210 131 4XZ 0.00067 0.00041 0.00243 -0.00199 0.00135 132 4YZ 0.00249 -0.00081 0.00771 -0.00315 0.00640 133 15 C 1S -0.03130 -0.01593 0.00001 0.00000 0.02086 134 2S 0.07640 0.03965 -0.00002 0.00000 -0.05254 135 2PX -0.15448 -0.07159 0.00002 -0.00001 -0.06520 136 2PY 0.00000 0.00000 -0.06917 -0.17972 -0.00002 137 2PZ -0.01810 0.00012 -0.00001 -0.00002 0.17944 138 3S 0.08254 0.04564 -0.00002 0.00001 -0.06788 139 3PX -0.06702 -0.03035 0.00001 -0.00001 -0.00660 140 3PY 0.00000 0.00000 -0.02101 -0.00551 -0.00001 141 3PZ -0.02680 0.00025 0.00000 0.00000 0.04819 142 4XX -0.00403 -0.00156 0.00000 0.00000 -0.01842 143 4YY -0.01126 -0.00388 0.00000 0.00000 0.00293 144 4ZZ 0.01304 0.00461 0.00000 0.00000 0.01774 145 4XY 0.00000 0.00000 0.01652 0.01811 0.00000 146 4XZ 0.00785 0.00305 0.00000 0.00000 -0.00392 147 4YZ 0.00000 0.00000 -0.00762 0.01714 0.00000 148 16 C 1S 0.01689 0.00694 -0.01729 -0.03094 -0.00027 149 2S -0.03769 -0.01690 0.03518 0.07034 0.00351 150 2PX 0.11954 0.02816 -0.05553 0.07431 0.12388 151 2PY -0.23107 -0.11832 -0.00832 0.00353 0.18252 152 2PZ -0.09962 -0.03292 0.08250 0.04468 -0.12769 153 3S -0.05887 -0.02340 0.07144 0.10610 0.00158 154 3PX 0.05941 0.01762 -0.05556 -0.00859 0.08671 155 3PY -0.05968 -0.02882 0.01932 0.05217 0.05865 156 3PZ -0.04602 -0.00577 0.03759 -0.01250 -0.08090 157 4XX 0.01016 0.00358 -0.00612 0.00543 0.00040 158 4YY -0.00909 -0.00439 -0.00395 -0.01151 0.00544 159 4ZZ 0.00694 0.00473 0.00789 0.00274 -0.00897 160 4XY 0.00675 0.00170 0.00604 0.00330 0.00188 161 4XZ 0.00732 0.00269 0.00251 0.00900 -0.00648 162 4YZ 0.00406 0.00261 -0.00412 0.00351 -0.00620 163 17 H 1S -0.05864 -0.02633 0.00001 0.00000 -0.10328 164 2S -0.06677 -0.02973 0.00001 0.00000 -0.09892 165 18 H 1S 0.05619 0.02390 -0.00001 0.00000 0.12007 166 2S 0.05455 0.01111 -0.00001 0.00000 0.15195 167 19 O 1S 0.03751 0.01425 0.01760 0.03612 -0.01841 168 2S -0.07463 -0.02608 -0.03963 -0.07271 0.03595 169 2PX -0.04361 -0.02397 -0.17541 -0.06751 0.13864 170 2PY 0.20893 0.08341 0.09709 0.41169 -0.10602 171 2PZ -0.11686 -0.03174 0.20956 -0.03324 -0.09790 172 3S -0.17861 -0.07433 -0.06341 -0.13344 0.08451 173 3PX -0.02996 -0.01452 -0.12786 -0.04962 0.09599 174 3PY 0.12845 0.05036 0.06183 0.27482 -0.06919 175 3PZ -0.07702 -0.02160 0.13955 -0.02377 -0.06030 176 4XX -0.00403 -0.00040 0.00513 -0.00060 -0.01004 177 4YY 0.01542 0.00641 0.00348 0.02029 -0.00698 178 4ZZ 0.00532 0.00242 -0.00345 -0.00181 0.00747 179 4XY -0.00010 0.00003 -0.00861 -0.00813 0.00211 180 4XZ 0.00067 0.00041 -0.00243 0.00199 0.00135 181 4YZ -0.00249 0.00081 0.00771 -0.00315 -0.00640 182 20 H 1S -0.02004 -0.07977 -0.11097 0.05664 -0.05819 183 2S -0.02532 -0.07538 -0.09566 0.05377 -0.06180 184 21 H 1S -0.02004 -0.07969 0.11101 -0.05666 -0.05825 185 2S -0.02532 -0.07531 0.09569 -0.05378 -0.06185 186 22 H 1S 0.10333 0.05197 0.00693 -0.00527 -0.04078 187 2S 0.09582 0.05555 0.01354 0.00959 -0.05589 188 23 H 1S 0.10332 0.05196 -0.00696 0.00528 -0.04079 189 2S 0.09582 0.05554 -0.01357 -0.00958 -0.05590 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 -0.00476 0.00273 0.00196 -0.01120 0.00590 2 2S 0.00544 -0.01589 -0.00790 0.02348 -0.01967 3 2PX -0.04993 -0.14856 -0.00080 -0.19343 0.11957 4 2PY -0.00449 -0.01654 0.21061 -0.00890 -0.02875 5 2PZ -0.05529 -0.12126 0.02507 0.20518 -0.15109 6 3S 0.04962 0.07021 0.00322 0.05553 0.04886 7 3PX -0.00355 -0.02662 0.00320 -0.12749 0.12075 8 3PY -0.02037 -0.04051 0.07793 0.00527 -0.07359 9 3PZ -0.00507 -0.00321 0.02233 0.13575 -0.09139 10 4XX 0.00022 -0.00152 0.00351 -0.00665 0.01019 11 4YY -0.00207 -0.00040 -0.00856 0.00362 -0.00345 12 4ZZ 0.00243 0.00732 0.00764 0.00066 -0.00537 13 4XY -0.00501 -0.01190 -0.00292 0.00789 0.00667 14 4XZ 0.00311 0.00451 0.00649 -0.00104 0.00071 15 4YZ -0.00530 -0.00993 -0.00311 -0.00356 -0.01174 16 2 C 1S -0.01043 0.00118 -0.00072 0.01248 -0.01316 17 2S 0.02696 0.00313 0.00765 -0.02322 0.02808 18 2PX 0.08862 0.10023 -0.06202 -0.12501 0.25643 19 2PY -0.05356 -0.02359 -0.18181 0.07743 -0.08082 20 2PZ 0.10175 0.23178 0.05569 0.04045 -0.16000 21 3S 0.02197 -0.05079 -0.02049 -0.06292 0.04144 22 3PX 0.04269 0.04286 -0.02755 -0.07268 0.19394 23 3PY -0.01134 0.02968 -0.04898 0.05954 -0.02274 24 3PZ 0.03863 0.09630 0.02298 0.03569 -0.14707 25 4XX -0.00065 -0.00141 0.00777 0.01108 -0.00722 26 4YY -0.00225 -0.00268 -0.02072 0.00379 -0.00184 27 4ZZ 0.00156 0.00579 0.00930 -0.01078 0.00812 28 4XY -0.00278 -0.00455 -0.00177 0.00378 -0.00203 29 4XZ 0.00614 -0.00381 0.00470 -0.00194 -0.00293 30 4YZ -0.00327 -0.00689 0.00267 -0.00447 0.00138 31 3 C 1S -0.01000 -0.00302 0.00649 0.00204 -0.00751 32 2S 0.02398 0.00983 -0.01911 -0.00732 0.00931 33 2PX 0.14174 -0.16972 0.00768 0.05503 -0.07888 34 2PY 0.01368 0.01053 0.27372 -0.09271 -0.01319 35 2PZ -0.17318 -0.18132 -0.03430 0.01722 0.03516 36 3S 0.05249 0.02785 -0.00793 -0.01555 0.09904 37 3PX 0.07490 -0.08644 0.00326 0.01733 -0.04011 38 3PY 0.01211 -0.00208 0.13290 -0.06111 -0.01253 39 3PZ -0.06069 -0.11416 -0.03278 -0.01015 0.01889 40 4XX -0.00131 -0.00940 0.00761 0.00246 -0.00619 41 4YY -0.00038 0.00083 -0.01219 0.00278 -0.00399 42 4ZZ -0.00065 0.00559 0.00678 -0.00717 0.00915 43 4XY 0.00981 -0.01125 0.00068 -0.00033 -0.00312 44 4XZ 0.00982 -0.00252 0.00308 0.00570 -0.01276 45 4YZ -0.01006 -0.01132 0.00382 -0.00204 0.00325 46 4 C 1S 0.00999 0.00302 0.00649 0.00204 0.00753 47 2S -0.02397 -0.00985 -0.01910 -0.00731 -0.00935 48 2PX -0.14176 0.16976 0.00743 0.05504 0.07889 49 2PY 0.01372 0.01022 -0.27372 0.09271 -0.01323 50 2PZ 0.17318 0.18128 -0.03448 0.01722 -0.03512 51 3S -0.05250 -0.02785 -0.00791 -0.01557 -0.09910 52 3PX -0.07492 0.08648 0.00314 0.01734 0.04012 53 3PY 0.01214 -0.00224 -0.13289 0.06110 -0.01256 54 3PZ 0.06069 0.11412 -0.03290 -0.01011 -0.01886 55 4XX 0.00129 0.00941 0.00760 0.00247 0.00621 56 4YY 0.00039 -0.00084 -0.01218 0.00278 0.00398 57 4ZZ 0.00066 -0.00559 0.00679 -0.00717 -0.00915 58 4XY 0.00981 -0.01125 -0.00066 0.00033 -0.00312 59 4XZ -0.00982 0.00251 0.00308 0.00570 0.01275 60 4YZ -0.01006 -0.01132 -0.00382 0.00204 0.00325 61 5 C 1S 0.01043 -0.00118 -0.00072 0.01248 0.01316 62 2S -0.02695 -0.00313 0.00765 -0.02321 -0.02810 63 2PX -0.08863 -0.10030 -0.06192 -0.12503 -0.25640 64 2PY -0.05356 -0.02337 0.18182 -0.07743 -0.08080 65 2PZ -0.10171 -0.23175 0.05593 0.04047 0.15997 66 3S -0.02194 0.05075 -0.02050 -0.06287 -0.04139 67 3PX -0.04269 -0.04289 -0.02754 -0.07270 -0.19393 68 3PY -0.01133 0.02975 0.04896 -0.05952 -0.02269 69 3PZ -0.03861 -0.09628 0.02308 0.03571 0.14702 70 4XX 0.00064 0.00142 0.00777 0.01107 0.00724 71 4YY 0.00226 0.00267 -0.02073 0.00379 0.00184 72 4ZZ -0.00156 -0.00578 0.00930 -0.01078 -0.00813 73 4XY -0.00278 -0.00455 0.00177 -0.00378 -0.00203 74 4XZ -0.00614 0.00381 0.00469 -0.00194 0.00293 75 4YZ -0.00326 -0.00689 -0.00267 0.00447 0.00138 76 6 C 1S 0.00476 -0.00272 0.00196 -0.01120 -0.00590 77 2S -0.00545 0.01588 -0.00791 0.02347 0.01965 78 2PX 0.04989 0.14857 -0.00097 -0.19344 -0.11975 79 2PY -0.00447 -0.01678 -0.21060 0.00891 -0.02878 80 2PZ 0.05529 0.12128 0.02494 0.20519 0.15122 81 3S -0.04963 -0.07020 0.00325 0.05550 -0.04889 82 3PX 0.00353 0.02662 0.00315 -0.12751 -0.12091 83 3PY -0.02035 -0.04059 -0.07790 -0.00527 -0.07359 84 3PZ 0.00506 0.00322 0.02231 0.13575 0.09148 85 4XX -0.00023 0.00152 0.00351 -0.00666 -0.01018 86 4YY 0.00208 0.00040 -0.00856 0.00363 0.00345 87 4ZZ -0.00243 -0.00732 0.00764 0.00066 0.00536 88 4XY -0.00501 -0.01190 0.00293 -0.00789 0.00667 89 4XZ -0.00311 -0.00451 0.00650 -0.00105 -0.00071 90 4YZ -0.00530 -0.00992 0.00311 0.00356 -0.01174 91 7 H 1S 0.05628 0.12074 0.06924 -0.02891 0.02584 92 2S 0.06642 0.15115 0.08106 -0.03231 0.05062 93 8 H 1S -0.02691 -0.02568 -0.15224 0.03721 -0.02189 94 2S -0.04163 -0.03578 -0.16878 0.04308 -0.05195 95 9 H 1S 0.06147 -0.13917 0.06461 0.01832 -0.06720 96 2S 0.01781 -0.12493 0.06750 0.04701 -0.11832 97 10 H 1S -0.06154 0.13921 0.06442 0.01833 0.06724 98 2S -0.01786 0.12497 0.06731 0.04702 0.11835 99 11 H 1S 0.02694 0.02554 -0.15225 0.03722 0.02187 100 2S 0.04166 0.03563 -0.16880 0.04309 0.05192 101 12 H 1S -0.05629 -0.12069 0.06934 -0.02891 -0.02584 102 2S -0.06642 -0.15108 0.08118 -0.03231 -0.05061 103 13 C 1S 0.00393 -0.00532 -0.00345 -0.01309 0.00046 104 2S -0.01436 0.00844 0.00539 0.03296 -0.00360 105 2PX 0.06826 -0.04154 -0.04072 -0.03638 -0.07545 106 2PY -0.02131 0.01544 0.07045 0.02276 -0.01348 107 2PZ -0.03286 0.00484 0.01754 -0.00900 0.10149 108 3S 0.03894 0.03292 0.01008 0.03756 -0.00171 109 3PX 0.06157 -0.01583 -0.02907 -0.01483 -0.08060 110 3PY -0.04199 0.00393 0.02060 0.01828 0.01807 111 3PZ -0.00484 0.02487 0.01761 0.00808 0.07069 112 4XX 0.01180 -0.00671 -0.00323 -0.01368 0.00968 113 4YY -0.00250 0.00149 -0.00236 0.00225 -0.00211 114 4ZZ -0.00724 0.00411 0.00537 0.00947 -0.00515 115 4XY 0.00318 -0.00175 0.00108 -0.00084 -0.00516 116 4XZ -0.00161 -0.00017 0.00258 0.00409 -0.00505 117 4YZ -0.00352 0.00072 -0.00251 -0.00145 0.00740 118 14 O 1S 0.00440 -0.00152 0.00622 0.00387 -0.00232 119 2S -0.00431 0.00462 -0.01234 -0.00699 0.00183 120 2PX 0.17413 -0.06329 -0.06112 -0.10721 0.07196 121 2PY -0.09835 0.05452 -0.03248 -0.00043 -0.00159 122 2PZ -0.24695 0.11980 0.06053 0.16849 -0.07474 123 3S -0.03609 -0.00561 -0.02748 -0.02268 0.02597 124 3PX 0.13311 -0.04313 -0.04358 -0.07749 0.06062 125 3PY -0.06159 0.03943 -0.02186 0.00021 -0.00652 126 3PZ -0.16746 0.08429 0.04199 0.12561 -0.06623 127 4XX -0.00450 0.00313 0.00401 0.00662 0.00115 128 4YY 0.00626 -0.00197 0.00166 0.00057 -0.00071 129 4ZZ 0.00321 -0.00022 -0.00221 -0.00374 -0.00434 130 4XY -0.00615 0.00148 0.00085 0.00285 -0.00245 131 4XZ 0.00109 -0.00037 -0.00081 -0.00131 -0.00043 132 4YZ 0.01005 -0.00528 -0.00311 -0.00633 0.00288 133 15 C 1S 0.00000 0.00000 -0.00483 -0.00071 0.00000 134 2S 0.00000 0.00001 0.01383 0.00372 0.00001 135 2PX 0.00000 0.00002 0.03289 0.07150 -0.00005 136 2PY 0.01507 0.00163 0.00000 0.00001 -0.00731 137 2PZ 0.00000 -0.00006 -0.08194 -0.11323 0.00002 138 3S 0.00000 0.00001 0.01435 0.00063 0.00002 139 3PX 0.00000 0.00000 0.00510 0.00276 -0.00001 140 3PY -0.01075 0.00629 0.00000 0.00000 -0.01242 141 3PZ 0.00001 -0.00002 -0.02067 -0.01324 -0.00004 142 4XX 0.00000 0.00001 0.00861 0.01578 -0.00001 143 4YY 0.00000 0.00000 0.00007 0.00386 0.00000 144 4ZZ 0.00000 0.00000 -0.00936 -0.02004 0.00001 145 4XY 0.00912 -0.00346 0.00000 0.00000 0.00582 146 4XZ 0.00000 0.00000 0.00054 -0.00058 0.00000 147 4YZ -0.01719 0.00728 0.00000 0.00000 -0.00599 148 16 C 1S -0.00394 0.00531 -0.00346 -0.01309 -0.00047 149 2S 0.01437 -0.00844 0.00540 0.03296 0.00362 150 2PX -0.06828 0.04149 -0.04075 -0.03638 0.07519 151 2PY -0.02132 0.01536 -0.07047 -0.02275 -0.01357 152 2PZ 0.03287 -0.00483 0.01753 -0.00901 -0.10128 153 3S -0.03894 -0.03291 0.01008 0.03755 0.00184 154 3PX -0.06158 0.01580 -0.02908 -0.01481 0.08045 155 3PY -0.04199 0.00391 -0.02062 -0.01828 0.01799 156 3PZ 0.00484 -0.02485 0.01762 0.00808 -0.07054 157 4XX -0.01180 0.00671 -0.00324 -0.01368 -0.00966 158 4YY 0.00250 -0.00149 -0.00236 0.00225 0.00210 159 4ZZ 0.00724 -0.00410 0.00537 0.00947 0.00514 160 4XY 0.00318 -0.00175 -0.00108 0.00084 -0.00517 161 4XZ 0.00162 0.00018 0.00258 0.00409 0.00504 162 4YZ -0.00352 0.00072 0.00251 0.00145 0.00742 163 17 H 1S 0.00000 0.00003 0.04716 0.08539 -0.00006 164 2S 0.00000 0.00003 0.05042 0.11070 -0.00010 165 18 H 1S 0.00000 -0.00004 -0.05915 -0.10844 0.00006 166 2S -0.00001 -0.00004 -0.07280 -0.14171 0.00012 167 19 O 1S -0.00440 0.00153 0.00621 0.00387 0.00233 168 2S 0.00431 -0.00464 -0.01234 -0.00699 -0.00184 169 2PX -0.17415 0.06323 -0.06117 -0.10719 -0.07169 170 2PY -0.09841 0.05459 0.03244 0.00040 -0.00157 171 2PZ 0.24695 -0.11973 0.06063 0.16845 0.07444 172 3S 0.03610 0.00556 -0.02749 -0.02268 -0.02606 173 3PX -0.13312 0.04308 -0.04362 -0.07747 -0.06040 174 3PY -0.06162 0.03947 0.02183 -0.00023 -0.00652 175 3PZ 0.16746 -0.08423 0.04206 0.12559 0.06599 176 4XX 0.00451 -0.00313 0.00401 0.00662 -0.00115 177 4YY -0.00626 0.00197 0.00166 0.00057 0.00071 178 4ZZ -0.00321 0.00022 -0.00221 -0.00374 0.00435 179 4XY -0.00615 0.00148 -0.00085 -0.00285 -0.00244 180 4XZ -0.00110 0.00036 -0.00081 -0.00131 0.00043 181 4YZ 0.01005 -0.00528 0.00312 0.00633 0.00287 182 20 H 1S 0.14061 0.00342 0.03765 -0.04876 -0.08655 183 2S 0.14961 -0.00224 0.04298 -0.04235 -0.10177 184 21 H 1S -0.14062 -0.00333 0.03757 -0.04875 0.08658 185 2S -0.14962 0.00234 0.04290 -0.04231 0.10184 186 22 H 1S -0.01308 0.01730 0.03246 0.04364 -0.06509 187 2S -0.00240 0.01917 0.03077 0.03396 -0.07002 188 23 H 1S 0.01308 -0.01726 0.03247 0.04364 0.06507 189 2S 0.00241 -0.01912 0.03077 0.03395 0.06996 41 42 43 44 45 O V V V V Eigenvalues -- -0.18560 -0.00699 0.01019 0.08379 0.11233 1 1 C 1S -0.00195 0.00460 -0.00663 0.02285 -0.02044 2 2S 0.00984 -0.00464 0.01376 -0.05094 0.02313 3 2PX 0.15355 -0.12053 -0.20335 0.03991 -0.07623 4 2PY -0.02331 0.03532 0.00584 -0.03603 0.05712 5 2PZ -0.11264 0.10322 0.15773 0.02659 -0.09752 6 3S 0.02464 -0.03353 -0.00387 -0.24358 0.42065 7 3PX 0.12917 -0.17287 -0.30019 0.08827 -0.15508 8 3PY -0.00715 0.02152 0.06006 -0.06203 0.11730 9 3PZ -0.08409 0.15000 0.17042 0.09429 -0.19295 10 4XX -0.00252 0.01610 -0.00012 -0.00056 0.00123 11 4YY 0.00188 -0.00378 -0.00175 -0.00387 -0.00098 12 4ZZ 0.00268 -0.00941 -0.00075 0.00528 -0.00295 13 4XY -0.00496 0.00829 -0.01075 -0.00494 0.00731 14 4XZ 0.00085 0.00539 -0.00099 0.00230 -0.00121 15 4YZ 0.00558 -0.01374 0.00905 -0.00596 0.00807 16 2 C 1S -0.00473 -0.02868 0.00882 0.02362 -0.04189 17 2S 0.02223 0.05165 -0.04385 -0.04894 0.06232 18 2PX -0.03691 0.29282 -0.00789 -0.00127 0.03384 19 2PY 0.00633 -0.09312 0.01684 -0.07482 0.08529 20 2PZ 0.02554 -0.18156 0.01180 0.00260 -0.01081 21 3S -0.04324 0.21357 0.08577 -0.26269 0.59800 22 3PX -0.01504 0.37271 -0.00152 0.00401 0.12821 23 3PY 0.03918 -0.10313 -0.02699 -0.16938 0.23973 24 3PZ 0.04465 -0.21537 0.03743 0.04878 0.06928 25 4XX -0.01126 0.00020 0.01993 -0.00062 -0.00327 26 4YY 0.00295 -0.00195 -0.00423 0.00824 -0.00910 27 4ZZ 0.00571 -0.00747 -0.01352 -0.00332 0.00293 28 4XY 0.00115 0.00500 -0.00005 0.00252 -0.00055 29 4XZ 0.00523 0.00384 -0.00879 -0.00656 -0.00084 30 4YZ 0.00006 -0.00467 0.00028 -0.00384 -0.00171 31 3 C 1S -0.01157 0.01411 0.01541 0.05243 0.00921 32 2S 0.02705 -0.02560 -0.03229 -0.07738 -0.00303 33 2PX -0.00744 0.01031 0.02049 -0.09419 -0.10188 34 2PY -0.00756 0.01787 -0.02728 -0.05154 -0.02532 35 2PZ -0.04300 0.02633 0.05412 -0.08098 0.00526 36 3S 0.03924 -0.12994 -0.14371 -0.73835 -0.26478 37 3PX -0.01337 0.01227 0.05387 -0.18145 -0.21144 38 3PY -0.00261 -0.01359 -0.04796 -0.19722 -0.15842 39 3PZ -0.03372 0.01991 0.04196 -0.16111 0.07278 40 4XX -0.00183 -0.00649 0.00244 0.01073 0.00045 41 4YY 0.00255 -0.00565 -0.00081 -0.00369 -0.00067 42 4ZZ -0.00267 0.01495 -0.00076 0.00228 -0.00187 43 4XY 0.00040 0.00587 0.00101 0.00322 0.00055 44 4XZ 0.00392 -0.01388 -0.00243 0.00026 0.00083 45 4YZ -0.00099 0.00202 0.00226 0.00681 -0.00837 46 4 C 1S -0.01156 0.01410 -0.01543 0.05242 0.00921 47 2S 0.02704 -0.02557 0.03233 -0.07738 -0.00303 48 2PX -0.00735 0.01028 -0.02052 -0.09420 -0.10191 49 2PY 0.00756 -0.01793 -0.02724 0.05153 0.02530 50 2PZ -0.04304 0.02624 -0.05414 -0.08094 0.00530 51 3S 0.03908 -0.12987 0.14387 -0.73823 -0.26479 52 3PX -0.01334 0.01219 -0.05390 -0.18145 -0.21143 53 3PY 0.00260 0.01346 -0.04797 0.19717 0.15830 54 3PZ -0.03374 0.01979 -0.04197 -0.16087 0.07303 55 4XX -0.00182 -0.00651 -0.00243 0.01073 0.00045 56 4YY 0.00255 -0.00565 0.00082 -0.00368 -0.00067 57 4ZZ -0.00268 0.01496 0.00074 0.00227 -0.00187 58 4XY -0.00040 -0.00587 0.00102 -0.00322 -0.00055 59 4XZ 0.00394 -0.01387 0.00245 0.00026 0.00083 60 4YZ 0.00100 -0.00202 0.00226 -0.00682 0.00837 61 5 C 1S -0.00471 -0.02868 -0.00878 0.02362 -0.04188 62 2S 0.02219 0.05170 0.04379 -0.04895 0.06230 63 2PX -0.03722 0.29286 0.00753 -0.00131 0.03376 64 2PY -0.00643 0.09313 0.01672 0.07479 -0.08531 65 2PZ 0.02574 -0.18159 -0.01156 0.00264 -0.01081 66 3S -0.04328 0.21337 -0.08600 -0.26256 0.59803 67 3PX -0.01531 0.37271 0.00101 0.00394 0.12807 68 3PY -0.03920 0.10307 -0.02712 0.16936 -0.23972 69 3PZ 0.04482 -0.21544 -0.03715 0.04885 0.06927 70 4XX -0.01125 0.00017 -0.01993 -0.00063 -0.00327 71 4YY 0.00295 -0.00194 0.00423 0.00824 -0.00911 72 4ZZ 0.00570 -0.00745 0.01353 -0.00331 0.00293 73 4XY -0.00115 -0.00501 -0.00004 -0.00251 0.00055 74 4XZ 0.00524 0.00385 0.00879 -0.00656 -0.00084 75 4YZ -0.00006 0.00467 0.00027 0.00384 0.00171 76 6 C 1S -0.00195 0.00460 0.00662 0.02285 -0.02043 77 2S 0.00987 -0.00466 -0.01375 -0.05096 0.02312 78 2PX 0.15338 -0.12031 0.20349 0.03998 -0.07618 79 2PY 0.02327 -0.03531 0.00586 0.03602 -0.05709 80 2PZ -0.11245 0.10306 -0.15786 0.02653 -0.09757 81 3S 0.02455 -0.03350 0.00392 -0.24368 0.42049 82 3PX 0.12899 -0.17255 0.30039 0.08835 -0.15503 83 3PY 0.00704 -0.02143 0.06006 0.06202 -0.11728 84 3PZ -0.08398 0.14983 -0.17062 0.09418 -0.19305 85 4XX -0.00253 0.01610 0.00009 -0.00056 0.00122 86 4YY 0.00188 -0.00378 0.00175 -0.00387 -0.00097 87 4ZZ 0.00269 -0.00941 0.00077 0.00528 -0.00295 88 4XY 0.00497 -0.00830 -0.01074 0.00493 -0.00732 89 4XZ 0.00085 0.00539 0.00099 0.00230 -0.00122 90 4YZ -0.00559 0.01375 0.00903 0.00596 -0.00807 91 7 H 1S -0.00339 0.02130 -0.01093 0.02993 -0.02732 92 2S -0.00394 0.06244 -0.06757 0.37818 -0.61038 93 8 H 1S 0.01302 -0.01335 -0.01335 0.02888 -0.02884 94 2S 0.00686 -0.05556 -0.01293 0.42894 -0.62079 95 9 H 1S 0.00218 -0.02834 0.00552 0.03639 0.00738 96 2S 0.02543 -0.04311 0.00654 0.67014 0.35020 97 10 H 1S 0.00227 -0.02837 -0.00547 0.03639 0.00740 98 2S 0.02562 -0.04313 -0.00645 0.66991 0.35020 99 11 H 1S 0.01304 -0.01334 0.01335 0.02888 -0.02885 100 2S 0.00692 -0.05553 0.01293 0.42886 -0.62077 101 12 H 1S -0.00342 0.02131 0.01090 0.02993 -0.02732 102 2S -0.00400 0.06251 0.06745 0.37819 -0.61035 103 13 C 1S 0.01561 0.01163 -0.05213 0.01390 -0.00959 104 2S -0.02637 -0.03776 0.11168 -0.04165 0.00095 105 2PX 0.21995 0.15853 -0.23742 0.01569 -0.06758 106 2PY -0.08632 -0.03378 0.07431 -0.03086 0.05607 107 2PZ -0.17703 -0.09894 0.20983 0.03479 -0.11988 108 3S -0.11585 0.00297 0.27490 -0.14095 0.29367 109 3PX 0.14330 0.20287 -0.31523 0.07931 -0.14860 110 3PY -0.07610 -0.00763 0.23624 -0.04996 0.12631 111 3PZ -0.13602 -0.07995 0.11713 0.10463 -0.27850 112 4XX -0.00837 0.00551 -0.00422 0.00188 0.00358 113 4YY 0.00091 -0.00097 -0.00407 -0.00079 -0.00558 114 4ZZ 0.01023 0.00183 -0.00641 0.00347 -0.00128 115 4XY -0.01162 -0.01369 -0.01143 -0.00153 0.00287 116 4XZ 0.00280 -0.01142 -0.00574 -0.00155 0.00413 117 4YZ 0.01258 0.01067 0.00815 -0.00259 0.01277 118 14 O 1S -0.00599 0.00575 0.01755 0.01155 -0.00909 119 2S 0.00548 -0.00827 -0.04327 -0.03193 0.00994 120 2PX -0.18577 -0.01604 0.12508 0.01590 -0.06027 121 2PY 0.02662 0.01482 0.01590 0.01248 -0.02725 122 2PZ 0.21705 0.08066 -0.08201 0.00359 -0.00481 123 3S 0.06526 -0.07385 -0.11186 -0.11297 0.12159 124 3PX -0.15616 -0.00513 0.10862 0.03680 -0.07011 125 3PY 0.01185 0.02618 0.00818 0.07041 -0.05144 126 3PZ 0.17788 0.09782 -0.09533 0.04667 0.02240 127 4XX -0.00410 -0.00186 0.01483 -0.00271 -0.00461 128 4YY -0.00348 0.00090 -0.00163 -0.00300 -0.00383 129 4ZZ -0.00104 0.00592 -0.00725 -0.00047 -0.00323 130 4XY 0.00705 -0.00053 -0.00326 -0.00059 -0.00353 131 4XZ 0.00027 -0.00120 0.00156 -0.01156 -0.00506 132 4YZ -0.00293 0.00122 0.00246 0.00326 0.00296 133 15 C 1S 0.00839 -0.00001 0.00000 0.05871 0.04879 134 2S -0.02049 -0.00328 0.00000 -0.10857 -0.07177 135 2PX 0.07239 0.00106 0.00000 -0.05294 -0.05267 136 2PY 0.00000 0.00003 0.06577 0.00003 -0.00003 137 2PZ -0.02596 0.02195 -0.00001 -0.19215 -0.16882 138 3S -0.04373 0.02257 -0.00002 -0.80835 -0.80860 139 3PX 0.01174 0.01859 -0.00001 -0.17740 -0.14499 140 3PY -0.00002 0.00007 0.11934 0.00009 -0.00008 141 3PZ 0.05639 0.04091 -0.00002 -0.48221 -0.43517 142 4XX 0.01838 0.00011 0.00000 0.01076 0.00338 143 4YY 0.00230 0.00338 0.00000 0.00118 -0.00217 144 4ZZ -0.01983 -0.00331 0.00000 0.00491 0.00638 145 4XY 0.00000 0.00001 0.01363 0.00000 0.00000 146 4XZ 0.00046 0.00053 0.00000 -0.00823 -0.00557 147 4YZ 0.00000 0.00000 -0.00627 0.00000 0.00000 148 16 C 1S 0.01561 0.01169 0.05212 0.01389 -0.00961 149 2S -0.02636 -0.03791 -0.11163 -0.04163 0.00100 150 2PX 0.22005 0.15884 0.23721 0.01564 -0.06763 151 2PY 0.08634 0.03389 0.07430 0.03085 -0.05608 152 2PZ -0.17715 -0.09922 -0.20971 0.03482 -0.11981 153 3S -0.11583 0.00268 -0.27487 -0.14090 0.29373 154 3PX 0.14342 0.20324 0.31496 0.07921 -0.14871 155 3PY 0.07614 0.00790 0.23624 0.04993 -0.12635 156 3PZ -0.13610 -0.08008 -0.11701 0.10460 -0.27845 157 4XX -0.00839 0.00552 0.00421 0.00188 0.00358 158 4YY 0.00092 -0.00096 0.00407 -0.00079 -0.00558 159 4ZZ 0.01024 0.00183 0.00641 0.00347 -0.00129 160 4XY 0.01161 0.01368 -0.01145 0.00154 -0.00287 161 4XZ 0.00281 -0.01141 0.00576 -0.00155 0.00413 162 4YZ -0.01257 -0.01066 0.00816 0.00258 -0.01277 163 17 H 1S 0.09038 0.00386 0.00000 0.03349 0.02901 164 2S 0.14833 0.00357 0.00000 0.46146 0.42986 165 18 H 1S -0.08858 -0.01615 0.00001 0.02914 0.04105 166 2S -0.16276 -0.08593 0.00006 0.84938 0.84399 167 19 O 1S -0.00598 0.00573 -0.01756 0.01154 -0.00907 168 2S 0.00548 -0.00821 0.04328 -0.03192 0.00991 169 2PX -0.18586 -0.01622 -0.12506 0.01592 -0.06026 170 2PY -0.02668 -0.01482 0.01591 -0.01248 0.02723 171 2PZ 0.21714 0.08078 0.08192 0.00359 -0.00485 172 3S 0.06521 -0.07373 0.11196 -0.11290 0.12139 173 3PX -0.15622 -0.00527 -0.10862 0.03683 -0.07011 174 3PY -0.01190 -0.02619 0.00820 -0.07040 0.05138 175 3PZ 0.17797 0.09795 0.09522 0.04664 0.02233 176 4XX -0.00410 -0.00188 -0.01483 -0.00271 -0.00460 177 4YY -0.00348 0.00090 0.00163 -0.00299 -0.00382 178 4ZZ -0.00103 0.00593 0.00724 -0.00047 -0.00323 179 4XY -0.00705 0.00053 -0.00326 0.00059 0.00354 180 4XZ 0.00027 -0.00120 -0.00156 -0.01156 -0.00506 181 4YZ 0.00294 -0.00122 0.00246 -0.00326 -0.00296 182 20 H 1S -0.01971 0.06087 -0.01288 0.01246 -0.01634 183 2S -0.04996 0.20033 -0.09843 0.34456 -0.17681 184 21 H 1S -0.01960 0.06087 0.01279 0.01248 -0.01631 185 2S -0.04984 0.20041 0.09812 0.34462 -0.17666 186 22 H 1S 0.00980 -0.02419 -0.06322 0.00918 -0.03358 187 2S 0.04013 -0.06006 -0.35370 0.28073 -0.60416 188 23 H 1S 0.00989 -0.02410 0.06325 0.00918 -0.03361 189 2S 0.04021 -0.05963 0.35374 0.28065 -0.60426 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 0.01474 -0.01360 -0.03538 -0.01151 0.01725 2 2S -0.02934 0.03733 0.05278 0.02269 -0.04593 3 2PX 0.20624 -0.06469 -0.03768 -0.04253 -0.01097 4 2PY 0.01529 -0.01194 0.04995 0.01762 -0.02899 5 2PZ -0.17826 0.06539 -0.10370 0.00503 0.07780 6 3S -0.08453 0.07910 0.54895 0.13713 -0.28582 7 3PX 0.36938 -0.17388 -0.09485 -0.06048 0.04032 8 3PY -0.00951 0.03687 0.19838 0.03516 -0.12838 9 3PZ -0.25870 0.09362 -0.21281 -0.02184 0.10557 10 4XX -0.00909 0.00561 -0.00675 -0.00169 0.00609 11 4YY 0.00703 -0.00489 0.00456 0.00139 -0.00422 12 4ZZ 0.00669 -0.00222 -0.00541 -0.00081 -0.00410 13 4XY 0.00974 -0.00308 0.00607 0.00813 -0.00192 14 4XZ -0.00164 0.00399 -0.00393 -0.00211 -0.00252 15 4YZ -0.00498 0.00072 0.00977 -0.00140 -0.00318 16 2 C 1S 0.01241 -0.01041 0.00410 -0.00801 -0.01006 17 2S -0.02185 0.01815 -0.01712 0.02439 0.01470 18 2PX -0.20660 0.13139 -0.04536 0.02646 0.03321 19 2PY 0.06479 -0.07482 0.06422 0.02516 -0.00247 20 2PZ 0.09826 -0.06765 -0.02079 -0.02585 0.01728 21 3S -0.13111 0.09176 -0.00567 0.04199 0.14327 22 3PX -0.26557 0.25661 -0.07977 0.11191 -0.05442 23 3PY 0.13959 -0.21287 0.13896 0.09381 0.01957 24 3PZ 0.14774 -0.00938 0.04900 -0.18968 -0.00190 25 4XX -0.00752 0.00134 0.00519 -0.00037 -0.00387 26 4YY -0.00256 0.00269 -0.00866 -0.00709 0.00507 27 4ZZ 0.01374 -0.00790 0.00162 0.00656 -0.00245 28 4XY -0.00785 0.00711 -0.01061 0.00574 -0.00282 29 4XZ -0.00242 0.00429 0.00485 0.00070 0.00048 30 4YZ 0.00725 -0.00382 -0.00072 -0.00433 0.00346 31 3 C 1S 0.00823 0.02090 0.01862 -0.03955 -0.00565 32 2S -0.00741 -0.00502 -0.01714 0.04340 0.00174 33 2PX -0.04543 -0.02586 0.11935 -0.11347 0.09431 34 2PY 0.05816 -0.05308 -0.02554 0.06760 0.01918 35 2PZ -0.02591 -0.01236 -0.14049 0.08816 0.01757 36 3S -0.13039 -0.44902 -0.39915 0.70594 0.14613 37 3PX -0.14963 -0.08404 0.34191 -0.30790 0.28079 38 3PY 0.15462 -0.10130 -0.13646 0.19188 0.03920 39 3PZ -0.04652 0.01089 -0.36406 0.20457 0.03944 40 4XX 0.00359 0.00007 0.00593 -0.00341 -0.00483 41 4YY 0.00718 -0.00134 0.00096 -0.00205 -0.00170 42 4ZZ -0.00924 0.00874 -0.00224 -0.00287 0.00399 43 4XY -0.00507 0.00117 -0.01140 0.00253 -0.00577 44 4XZ 0.00817 -0.00747 -0.01276 -0.00043 0.00028 45 4YZ -0.00192 0.00065 0.00398 -0.00403 -0.00053 46 4 C 1S -0.00827 -0.02072 0.01879 -0.03953 -0.00565 47 2S 0.00746 0.00486 -0.01718 0.04339 0.00173 48 2PX 0.04513 0.02699 0.11912 -0.11347 0.09430 49 2PY 0.05812 -0.05285 0.02622 -0.06771 -0.01921 50 2PZ 0.02617 0.01108 -0.14057 0.08818 0.01755 51 3S 0.13118 0.44537 -0.40281 0.70578 0.14629 52 3PX 0.14882 0.08721 0.34111 -0.30783 0.28076 53 3PY 0.15439 -0.10004 0.13794 -0.19212 -0.03921 54 3PZ 0.04730 -0.01427 -0.36402 0.20476 0.03926 55 4XX -0.00361 -0.00001 0.00592 -0.00341 -0.00483 56 4YY -0.00718 0.00134 0.00093 -0.00205 -0.00170 57 4ZZ 0.00924 -0.00877 -0.00214 -0.00287 0.00398 58 4XY -0.00509 0.00127 0.01138 -0.00253 0.00577 59 4XZ -0.00815 0.00735 -0.01284 -0.00043 0.00029 60 4YZ -0.00191 0.00062 -0.00399 0.00403 0.00053 61 5 C 1S -0.01242 0.01044 0.00398 -0.00802 -0.01006 62 2S 0.02189 -0.01830 -0.01690 0.02438 0.01471 63 2PX 0.20670 -0.13180 -0.04378 0.02638 0.03313 64 2PY 0.06487 -0.07539 -0.06334 -0.02530 0.00241 65 2PZ -0.09821 0.06744 -0.02158 -0.02582 0.01733 66 3S 0.13123 -0.09175 -0.00476 0.04237 0.14327 67 3PX 0.26579 -0.25734 -0.07693 0.11182 -0.05457 68 3PY 0.13978 -0.21412 -0.13672 -0.09407 -0.01974 69 3PZ -0.14780 0.00981 0.04860 -0.18959 -0.00185 70 4XX 0.00750 -0.00129 0.00522 -0.00037 -0.00388 71 4YY 0.00258 -0.00277 -0.00863 -0.00710 0.00507 72 4ZZ -0.01373 0.00791 0.00152 0.00657 -0.00244 73 4XY -0.00787 0.00721 0.01052 -0.00574 0.00282 74 4XZ 0.00241 -0.00424 0.00489 0.00070 0.00048 75 4YZ 0.00725 -0.00381 0.00077 0.00432 -0.00346 76 6 C 1S -0.01468 0.01327 -0.03552 -0.01152 0.01726 77 2S 0.02923 -0.03684 0.05316 0.02270 -0.04594 78 2PX -0.20622 0.06436 -0.03868 -0.04249 -0.01089 79 2PY 0.01538 -0.01241 -0.04976 -0.01766 0.02897 80 2PZ 0.17845 -0.06635 -0.10276 0.00493 0.07772 81 3S 0.08363 -0.07404 0.54980 0.13740 -0.28578 82 3PX -0.36926 0.17302 -0.09714 -0.06049 0.04048 83 3PY -0.00915 0.03503 -0.19859 -0.03519 0.12842 84 3PZ 0.25905 -0.09556 -0.21140 -0.02213 0.10545 85 4XX 0.00911 -0.00567 -0.00668 -0.00170 0.00608 86 4YY -0.00705 0.00494 0.00451 0.00139 -0.00422 87 4ZZ -0.00669 0.00217 -0.00544 -0.00081 -0.00409 88 4XY 0.00975 -0.00313 -0.00602 -0.00814 0.00192 89 4XZ 0.00165 -0.00403 -0.00389 -0.00212 -0.00251 90 4YZ -0.00496 0.00063 -0.00978 0.00140 0.00319 91 7 H 1S 0.01559 0.00616 -0.05055 -0.02521 0.00283 92 2S 0.04296 -0.05044 -0.70985 -0.19427 0.35531 93 8 H 1S -0.01965 0.01709 -0.02662 -0.02466 0.01511 94 2S -0.09639 0.19837 -0.19922 -0.22067 -0.05295 95 9 H 1S 0.02406 -0.01424 -0.03242 0.00355 -0.02960 96 2S 0.18925 0.24106 -0.18630 -0.04942 -0.45204 97 10 H 1S -0.02401 0.01394 -0.03259 0.00355 -0.02959 98 2S -0.18877 -0.24279 -0.18434 -0.04942 -0.45200 99 11 H 1S 0.01970 -0.01733 -0.02641 -0.02470 0.01510 100 2S 0.09664 -0.20024 -0.19705 -0.22121 -0.05314 101 12 H 1S -0.01551 -0.00662 -0.05051 -0.02521 0.00285 102 2S -0.04180 0.04393 -0.71021 -0.19465 0.35529 103 13 C 1S -0.04793 0.00481 0.00427 0.02437 0.04023 104 2S 0.10827 -0.00062 -0.02711 -0.02956 -0.08337 105 2PX -0.06056 0.25291 0.06176 0.06638 -0.11901 106 2PY 0.09221 0.04984 -0.00989 -0.09777 -0.05144 107 2PZ 0.10910 -0.05681 0.08045 0.17972 -0.10593 108 3S 0.37760 -0.13609 -0.07228 -0.54042 -0.46715 109 3PX -0.18615 0.44285 0.14541 0.22754 -0.28776 110 3PY 0.15630 0.23134 -0.04479 -0.24368 -0.21881 111 3PZ -0.02125 -0.06989 0.19183 0.38939 -0.20630 112 4XX -0.00752 0.00241 -0.00623 0.00003 0.00835 113 4YY 0.00149 0.00781 -0.00053 0.00530 -0.01141 114 4ZZ -0.00679 -0.00145 0.00663 0.00097 0.00473 115 4XY 0.00014 0.01183 -0.00438 -0.01083 0.01372 116 4XZ -0.00119 -0.00911 -0.00755 0.00081 0.01366 117 4YZ 0.00255 -0.00017 -0.01330 -0.01507 0.01041 118 14 O 1S 0.04224 0.06544 0.01834 0.00218 -0.04983 119 2S -0.06942 -0.08854 -0.03239 -0.01869 0.07547 120 2PX -0.00199 -0.09419 0.07765 0.07937 -0.09374 121 2PY 0.07132 0.08584 0.04899 -0.00008 -0.07172 122 2PZ -0.07574 -0.04185 0.01120 0.03753 -0.10708 123 3S -0.44606 -0.81519 -0.23338 -0.00225 0.59802 124 3PX -0.05154 -0.13143 0.12619 0.14089 -0.12566 125 3PY 0.13398 0.21727 0.10534 0.02039 -0.15242 126 3PZ -0.13530 -0.06362 0.01459 0.05125 -0.19974 127 4XX 0.02418 0.02284 0.00570 -0.00588 -0.02160 128 4YY 0.00311 0.01306 -0.00006 -0.00294 -0.01109 129 4ZZ 0.01339 0.03608 0.00559 -0.00764 -0.01767 130 4XY 0.00078 -0.00035 0.00395 0.00725 0.00874 131 4XZ 0.00909 0.00779 -0.00541 -0.00309 -0.00242 132 4YZ 0.00294 0.00177 -0.00259 0.00064 -0.00283 133 15 C 1S 0.00003 0.00003 0.00923 0.05793 0.06459 134 2S -0.00001 -0.00017 -0.04202 -0.09731 -0.09101 135 2PX 0.00005 -0.00036 -0.09027 -0.07810 -0.24186 136 2PY 0.22824 0.34646 -0.00135 0.00001 -0.00001 137 2PZ -0.00003 0.00021 0.03439 0.03544 0.13725 138 3S -0.00044 -0.00015 -0.08884 -0.79181 -0.99101 139 3PX 0.00024 -0.00143 -0.33437 -0.13282 -0.61817 140 3PY 0.62495 0.88989 -0.00342 0.00000 -0.00003 141 3PZ -0.00007 0.00046 0.07124 0.07098 0.31588 142 4XX 0.00000 0.00002 0.00475 0.00394 0.01355 143 4YY 0.00000 0.00000 0.00130 0.00812 -0.00621 144 4ZZ 0.00001 -0.00001 -0.00352 0.00275 0.00523 145 4XY 0.01713 0.01392 -0.00005 0.00000 0.00000 146 4XZ 0.00001 -0.00002 -0.00444 0.00494 0.00598 147 4YZ 0.01048 0.02309 -0.00009 0.00000 0.00000 148 16 C 1S 0.04795 -0.00479 0.00442 0.02435 0.04020 149 2S -0.10826 0.00040 -0.02734 -0.02952 -0.08332 150 2PX 0.06037 -0.25230 0.06418 0.06632 -0.11908 151 2PY 0.09226 0.04987 0.00960 0.09771 0.05144 152 2PZ -0.10924 0.05750 0.07973 0.17975 -0.10592 153 3S -0.37780 0.13573 -0.07439 -0.54006 -0.46675 154 3PX 0.18572 -0.44146 0.14981 0.22738 -0.28795 155 3PY 0.15637 0.23159 0.04297 0.24363 0.21889 156 3PZ 0.02090 0.07158 0.19132 0.38933 -0.20639 157 4XX 0.00753 -0.00247 -0.00619 0.00002 0.00834 158 4YY -0.00150 -0.00781 -0.00046 0.00529 -0.01141 159 4ZZ 0.00678 0.00150 0.00663 0.00097 0.00472 160 4XY 0.00013 0.01187 0.00427 0.01083 -0.01372 161 4XZ 0.00122 0.00904 -0.00763 0.00082 0.01365 162 4YZ 0.00252 -0.00006 0.01331 0.01507 -0.01041 163 17 H 1S 0.00001 0.00005 0.01444 0.00763 0.07892 164 2S -0.00010 0.00185 0.46083 0.59982 1.41912 165 18 H 1S 0.00003 -0.00007 -0.01376 0.00902 0.02088 166 2S 0.00047 -0.00085 -0.15920 0.24446 -0.09559 167 19 O 1S -0.04230 -0.06526 0.01885 0.00217 -0.04984 168 2S 0.06951 0.08824 -0.03305 -0.01869 0.07547 169 2PX 0.00178 0.09491 0.07679 0.07939 -0.09372 170 2PY 0.07145 0.08538 -0.04962 0.00007 0.07173 171 2PZ 0.07570 0.04201 0.01096 0.03753 -0.10705 172 3S 0.44689 0.81294 -0.23989 -0.00217 0.59811 173 3PX 0.05123 0.13257 0.12510 0.14089 -0.12568 174 3PY 0.13426 0.21629 -0.10705 -0.02039 0.15247 175 3PZ 0.13526 0.06385 0.01425 0.05124 -0.19970 176 4XX -0.02421 -0.02278 0.00585 -0.00588 -0.02160 177 4YY -0.00312 -0.01306 0.00005 -0.00295 -0.01109 178 4ZZ -0.01341 -0.03602 0.00589 -0.00764 -0.01768 179 4XY 0.00078 -0.00038 -0.00394 -0.00725 -0.00875 180 4XZ -0.00908 -0.00784 -0.00536 -0.00310 -0.00242 181 4YZ 0.00293 0.00180 0.00258 -0.00064 0.00283 182 20 H 1S 0.04433 -0.03831 0.06367 -0.02407 0.01623 183 2S 0.19248 -0.20530 0.88366 -0.81927 0.17483 184 21 H 1S -0.04446 0.03890 0.06324 -0.02405 0.01626 185 2S -0.19441 0.21340 0.88145 -0.81910 0.17498 186 22 H 1S -0.04689 -0.03213 0.03829 0.05617 -0.00896 187 2S -0.41338 -0.11644 0.35416 0.94737 0.08396 188 23 H 1S 0.04683 0.03247 0.03809 0.05617 -0.00897 189 2S 0.41294 0.11928 0.35405 0.94710 0.08362 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 0.02424 0.01342 0.03540 -0.04226 0.05795 2 2S -0.03789 0.03153 -0.03290 0.06380 -0.07421 3 2PX 0.06622 0.07773 0.04044 0.02960 0.07377 4 2PY -0.06666 -0.04462 -0.08610 -0.01233 -0.06310 5 2PZ 0.06123 0.00044 0.03380 -0.05978 0.06877 6 3S -0.58867 -0.40584 -0.73680 0.58856 -0.87174 7 3PX 0.25314 0.05588 0.05154 -0.06338 0.24382 8 3PY 0.06283 -0.14055 -0.35770 0.05297 -0.20171 9 3PZ 0.23338 0.02438 0.02636 -0.27864 0.43100 10 4XX 0.00007 -0.00263 -0.00019 0.00112 0.00857 11 4YY -0.00806 0.00632 -0.00049 -0.01160 0.00477 12 4ZZ 0.00483 0.00783 0.00684 0.00000 0.00218 13 4XY 0.00075 -0.00554 -0.00138 0.00028 0.00198 14 4XZ -0.00005 0.00677 0.00325 0.00108 0.00454 15 4YZ 0.00102 0.00217 0.00822 -0.00325 0.00261 16 2 C 1S 0.04504 -0.01273 -0.08276 0.00568 -0.01578 17 2S -0.06345 0.01532 0.09998 -0.03025 0.05214 18 2PX -0.07405 -0.05081 -0.02173 0.03494 0.00215 19 2PY -0.20027 0.00292 0.07366 -0.05771 -0.07587 20 2PZ 0.04235 0.03333 0.10838 0.03262 -0.03257 21 3S -0.86615 0.25127 1.44148 0.00759 -0.00376 22 3PX -0.12927 -0.09754 -0.09352 0.07811 -0.09257 23 3PY -0.60181 -0.06307 0.25369 -0.33141 -0.02686 24 3PZ 0.00887 0.04848 0.22297 0.36970 -0.04448 25 4XX 0.00488 0.00115 -0.00527 -0.00106 -0.00506 26 4YY 0.00187 0.00041 -0.00066 -0.00267 0.01113 27 4ZZ 0.00171 -0.00448 -0.01047 0.00257 -0.00737 28 4XY 0.00121 0.00341 -0.00076 0.00455 -0.00474 29 4XZ -0.00652 -0.00018 -0.00084 0.00032 -0.00377 30 4YZ -0.00442 0.00439 0.00510 0.01351 -0.00337 31 3 C 1S 0.00353 -0.00214 0.03764 0.11464 -0.00881 32 2S 0.02170 -0.01214 -0.03724 -0.09203 -0.00022 33 2PX -0.03251 -0.01434 0.09149 -0.00514 0.01488 34 2PY -0.07350 0.00883 -0.04077 0.04691 -0.09719 35 2PZ -0.05413 0.08230 0.06545 -0.10603 0.01340 36 3S -0.25097 0.12613 -0.62809 -2.23035 0.21045 37 3PX -0.11654 0.05133 0.31202 0.07391 0.16641 38 3PY 0.05571 0.03158 -0.28534 0.46153 -0.31944 39 3PZ -0.09330 0.16450 0.27479 -0.21917 -0.05669 40 4XX 0.00716 0.00076 -0.00269 0.00209 0.00103 41 4YY -0.00723 -0.00271 -0.00299 0.01886 -0.00931 42 4ZZ 0.00476 -0.00095 0.01230 0.00190 0.00650 43 4XY -0.00052 -0.00303 -0.01179 0.00046 0.00074 44 4XZ 0.00385 -0.00085 0.00567 -0.00039 0.00394 45 4YZ 0.00037 -0.00453 -0.01440 -0.00166 0.00248 46 4 C 1S -0.00351 -0.00213 0.03760 -0.11465 0.00883 47 2S -0.02171 -0.01217 -0.03721 0.09204 0.00019 48 2PX 0.03257 -0.01432 0.09150 0.00511 -0.01487 49 2PY -0.07348 -0.00882 0.04081 0.04686 -0.09715 50 2PZ 0.05401 0.08229 0.06548 0.10606 -0.01342 51 3S 0.25062 0.12599 -0.62728 2.23067 -0.21079 52 3PX 0.11668 0.05135 0.31208 -0.07406 -0.16636 53 3PY 0.05580 -0.03144 0.28560 0.46135 -0.31932 54 3PZ 0.09307 0.16436 0.27482 0.21923 0.05663 55 4XX -0.00716 0.00076 -0.00269 -0.00209 -0.00103 56 4YY 0.00723 -0.00271 -0.00301 -0.01886 0.00931 57 4ZZ -0.00476 -0.00095 0.01230 -0.00191 -0.00650 58 4XY -0.00052 0.00303 0.01179 0.00046 0.00074 59 4XZ -0.00385 -0.00085 0.00568 0.00039 -0.00394 60 4YZ 0.00037 0.00452 0.01439 -0.00167 0.00249 61 5 C 1S -0.04502 -0.01274 -0.08277 -0.00567 0.01577 62 2S 0.06343 0.01536 0.10001 0.03023 -0.05212 63 2PX 0.07401 -0.05073 -0.02172 -0.03491 -0.00217 64 2PY -0.20028 -0.00295 -0.07371 -0.05768 -0.07591 65 2PZ -0.04241 0.03330 0.10836 -0.03268 0.03257 66 3S 0.86595 0.25146 1.44160 -0.00799 0.00397 67 3PX 0.12912 -0.09736 -0.09350 -0.07814 0.09263 68 3PY -0.60183 0.06282 -0.25389 -0.33130 -0.02704 69 3PZ -0.00893 0.04848 0.22283 -0.36990 0.04459 70 4XX -0.00487 0.00114 -0.00528 0.00107 0.00506 71 4YY -0.00187 0.00042 -0.00065 0.00267 -0.01113 72 4ZZ -0.00171 -0.00449 -0.01047 -0.00256 0.00737 73 4XY 0.00122 -0.00341 0.00076 0.00455 -0.00474 74 4XZ 0.00652 -0.00018 -0.00084 -0.00032 0.00377 75 4YZ -0.00442 -0.00439 -0.00510 0.01351 -0.00338 76 6 C 1S -0.02426 0.01341 0.03540 0.04226 -0.05794 77 2S 0.03790 0.03153 -0.03291 -0.06382 0.07418 78 2PX -0.06625 0.07769 0.04042 -0.02960 -0.07377 79 2PY -0.06667 0.04460 0.08608 -0.01235 -0.06307 80 2PZ -0.06129 0.00047 0.03381 0.05977 -0.06876 81 3S 0.58896 -0.40560 -0.73678 -0.58844 0.87170 82 3PX -0.25317 0.05585 0.05157 0.06339 -0.24378 83 3PY 0.06279 0.14059 0.35773 0.05287 -0.20153 84 3PZ -0.23344 0.02449 0.02645 0.27870 -0.43095 85 4XX -0.00007 -0.00262 -0.00019 -0.00112 -0.00857 86 4YY 0.00806 0.00632 -0.00049 0.01160 -0.00477 87 4ZZ -0.00483 0.00783 0.00683 -0.00001 -0.00218 88 4XY 0.00076 0.00554 0.00138 0.00028 0.00198 89 4XZ 0.00005 0.00677 0.00325 -0.00108 -0.00453 90 4YZ 0.00102 -0.00218 -0.00822 -0.00325 0.00261 91 7 H 1S 0.00643 0.03754 0.01574 -0.00140 0.04622 92 2S 0.59119 0.33130 0.60684 -0.47291 1.01066 93 8 H 1S 0.02118 0.00172 -0.02368 -0.01787 0.04065 94 2S 1.13262 -0.02808 -0.85857 0.32463 0.14181 95 9 H 1S 0.02072 -0.01305 -0.03991 0.00289 0.00958 96 2S 0.26005 -0.16329 -0.16953 0.67482 0.00798 97 10 H 1S -0.02072 -0.01305 -0.03989 -0.00288 -0.00956 98 2S -0.25995 -0.16312 -0.16969 -0.67473 -0.00783 99 11 H 1S -0.02117 0.00172 -0.02367 0.01788 -0.04066 100 2S -1.13254 -0.02842 -0.85879 -0.32446 -0.14205 101 12 H 1S -0.00645 0.03753 0.01574 0.00140 -0.04622 102 2S -0.59150 0.33125 0.60685 0.47286 -1.01045 103 13 C 1S 0.03254 -0.05606 -0.00411 -0.01466 -0.06491 104 2S -0.03711 0.09084 0.01994 0.01500 0.09271 105 2PX -0.05906 0.06273 0.05490 -0.02287 0.02878 106 2PY -0.01605 0.12471 0.02484 -0.03174 0.01152 107 2PZ 0.13289 0.01305 0.08417 -0.07704 -0.20252 108 3S -0.64236 0.90715 -0.10956 0.25885 1.08633 109 3PX 0.00634 0.24253 0.12467 -0.14353 -0.17593 110 3PY 0.04388 0.44259 -0.09534 0.02067 0.01114 111 3PZ 0.45756 0.03560 0.16418 -0.30120 -0.68657 112 4XX 0.00607 -0.00893 -0.00391 -0.00026 -0.00873 113 4YY 0.00410 0.00892 -0.00009 -0.01066 -0.01365 114 4ZZ -0.00078 -0.00113 0.00303 0.00264 0.00178 115 4XY -0.00230 -0.00448 -0.00853 -0.00277 0.00030 116 4XZ 0.00459 -0.01416 -0.00531 -0.00129 -0.00699 117 4YZ 0.00612 -0.01154 -0.00978 -0.00384 -0.01064 118 14 O 1S 0.00159 0.05756 -0.00666 -0.01644 -0.01098 119 2S 0.00092 -0.07983 0.00193 0.00468 0.00175 120 2PX 0.01518 0.12680 0.05154 0.04746 0.02941 121 2PY -0.03310 0.10929 -0.03794 -0.04561 0.01506 122 2PZ -0.05339 0.05958 0.08770 0.00970 0.07347 123 3S -0.05081 -0.76985 0.12919 0.29199 0.22666 124 3PX 0.04409 0.28570 0.07356 0.02560 -0.00321 125 3PY -0.00794 0.23066 -0.10402 -0.08176 -0.04539 126 3PZ -0.07023 0.10991 0.13187 0.04111 0.11081 127 4XX 0.00041 0.01877 0.00121 -0.01400 -0.00845 128 4YY 0.00369 0.01341 -0.00496 -0.00846 -0.00864 129 4ZZ -0.00378 0.02486 -0.00496 -0.00871 0.00014 130 4XY -0.00258 -0.00366 0.00285 0.00136 0.00432 131 4XZ -0.00418 -0.00495 0.00568 -0.00708 0.00278 132 4YZ 0.00054 -0.00851 0.00259 0.00567 0.00325 133 15 C 1S -0.00002 -0.01528 0.03925 -0.00001 -0.00003 134 2S 0.00004 0.02414 -0.06069 0.00002 0.00005 135 2PX 0.00004 -0.32141 0.16687 -0.00005 -0.00005 136 2PY 0.00270 0.00003 -0.00002 -0.14840 -0.09949 137 2PZ -0.00002 0.03836 -0.04018 0.00002 -0.00002 138 3S 0.00032 -0.02683 -0.49150 0.00017 0.00044 139 3PX 0.00007 -0.87052 0.49208 -0.00019 -0.00019 140 3PY 0.00464 0.00007 -0.00004 -0.27944 -0.20322 141 3PZ -0.00004 0.03013 -0.04323 0.00006 -0.00007 142 4XX 0.00000 0.00021 -0.00486 0.00000 0.00000 143 4YY 0.00000 0.00357 0.01187 0.00000 -0.00001 144 4ZZ 0.00000 -0.00503 -0.00247 0.00000 0.00000 145 4XY -0.00082 0.00000 0.00000 -0.01056 -0.00500 146 4XZ 0.00000 -0.01428 0.00539 0.00000 -0.00001 147 4YZ -0.00493 0.00000 0.00000 -0.00687 0.00108 148 16 C 1S -0.03254 -0.05606 -0.00411 0.01466 0.06493 149 2S 0.03711 0.09081 0.01993 -0.01501 -0.09275 150 2PX 0.05902 0.06276 0.05492 0.02288 -0.02880 151 2PY -0.01604 -0.12470 -0.02487 -0.03175 0.01153 152 2PZ -0.13295 0.01296 0.08416 0.07702 0.20248 153 3S 0.64250 0.90726 -0.10959 -0.25880 -1.08653 154 3PX -0.00646 0.24257 0.12472 0.14353 0.17584 155 3PY 0.04391 -0.44252 0.09527 0.02056 0.01107 156 3PZ -0.45767 0.03540 0.16420 0.30119 0.68649 157 4XX -0.00607 -0.00893 -0.00391 0.00026 0.00874 158 4YY -0.00410 0.00892 -0.00009 0.01066 0.01365 159 4ZZ 0.00078 -0.00113 0.00303 -0.00264 -0.00179 160 4XY -0.00230 0.00448 0.00853 -0.00278 0.00029 161 4XZ -0.00459 -0.01416 -0.00530 0.00129 0.00699 162 4YZ 0.00612 0.01154 0.00978 -0.00383 -0.01065 163 17 H 1S 0.00000 0.01457 -0.03335 0.00001 0.00002 164 2S -0.00027 1.06610 -0.40321 0.00016 0.00001 165 18 H 1S 0.00000 -0.02509 -0.00110 -0.00001 0.00000 166 2S -0.00006 -0.41255 0.49971 -0.00024 -0.00023 167 19 O 1S -0.00159 0.05755 -0.00666 0.01644 0.01099 168 2S -0.00091 -0.07982 0.00192 -0.00468 -0.00176 169 2PX -0.01523 0.12681 0.05152 -0.04746 -0.02948 170 2PY -0.03313 -0.10929 0.03791 -0.04564 0.01498 171 2PZ 0.05335 0.05958 0.08772 -0.00973 -0.07355 172 3S 0.05080 -0.76974 0.12912 -0.29211 -0.22684 173 3PX -0.04420 0.28571 0.07354 -0.02559 0.00307 174 3PY -0.00798 -0.23065 0.10397 -0.08183 -0.04556 175 3PZ 0.07019 0.10990 0.13190 -0.04118 -0.11098 176 4XX -0.00041 0.01876 0.00122 0.01400 0.00845 177 4YY -0.00369 0.01340 -0.00496 0.00846 0.00865 178 4ZZ 0.00378 0.02486 -0.00495 0.00872 -0.00013 179 4XY -0.00258 0.00367 -0.00285 0.00136 0.00432 180 4XZ 0.00419 -0.00495 0.00568 0.00708 -0.00279 181 4YZ 0.00053 0.00850 -0.00258 0.00567 0.00325 182 20 H 1S 0.00952 -0.00343 -0.00525 -0.00688 -0.01237 183 2S -0.07263 -0.20793 0.31195 -0.87882 -0.19370 184 21 H 1S -0.00950 -0.00345 -0.00524 0.00689 0.01236 185 2S 0.07311 -0.20814 0.31224 0.87858 0.19387 186 22 H 1S -0.00142 -0.00535 0.04189 0.00119 -0.01946 187 2S 0.65959 -0.66002 0.32098 -0.36221 -1.14809 188 23 H 1S 0.00140 -0.00534 0.04189 -0.00119 0.01944 189 2S -0.65987 -0.66008 0.32096 0.36216 1.14816 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 0.00895 -0.05859 -0.01514 0.01036 0.00705 2 2S -0.03612 0.13603 0.05890 -0.00297 0.00099 3 2PX -0.01193 -0.02096 0.00010 0.04982 0.06857 4 2PY -0.01271 0.01852 0.02994 0.05777 -0.09815 5 2PZ 0.02809 -0.07636 0.02509 -0.01999 0.09172 6 3S -0.05598 0.42280 0.21050 -0.49247 -0.42171 7 3PX 0.04395 -0.39523 -0.03030 0.03089 0.24364 8 3PY -0.08864 0.33978 0.20748 0.27244 -0.33899 9 3PZ 0.05996 -0.60406 -0.09379 -0.10127 0.42494 10 4XX 0.00059 0.00135 0.00295 -0.00346 -0.00450 11 4YY -0.00388 -0.01272 0.00464 0.00663 0.01300 12 4ZZ 0.00042 0.00280 -0.00173 -0.00602 -0.00898 13 4XY 0.00419 -0.00326 -0.00700 0.00148 0.00905 14 4XZ -0.00138 0.00016 0.00314 -0.00591 -0.01241 15 4YZ 0.00224 -0.00691 -0.00326 -0.00123 -0.00232 16 2 C 1S -0.03044 0.05350 0.01362 0.01875 0.04416 17 2S 0.04311 -0.08636 -0.01752 -0.04385 -0.05050 18 2PX 0.01099 -0.00094 0.00262 -0.02473 -0.03680 19 2PY 0.05149 -0.10988 -0.09757 0.00697 0.18661 20 2PZ 0.01420 -0.00156 0.07717 -0.00994 -0.19011 21 3S 0.45728 -0.53135 -0.24710 -0.23584 -0.78748 22 3PX 0.11778 -0.07118 0.00421 -0.38244 -0.21671 23 3PY 0.24739 -0.72540 -0.46879 -0.09002 0.92182 24 3PZ 0.08120 0.08534 0.25189 -0.03591 -0.83996 25 4XX -0.00320 -0.00112 0.00295 0.00542 0.00220 26 4YY -0.00205 0.00461 -0.00280 -0.00545 -0.00022 27 4ZZ -0.00167 0.00894 0.00262 0.00162 0.00442 28 4XY 0.00206 0.00611 -0.00356 -0.01081 -0.00140 29 4XZ -0.00275 0.00724 0.00846 0.01199 0.00159 30 4YZ -0.00097 0.00099 0.00728 0.00210 -0.00510 31 3 C 1S 0.01300 -0.06055 -0.03012 -0.01385 -0.06151 32 2S -0.02075 0.09496 0.05545 0.02948 0.05134 33 2PX -0.03118 -0.01280 0.10595 0.29928 0.01809 34 2PY -0.00828 0.00090 0.06482 0.01540 0.07086 35 2PZ 0.03356 0.03290 0.07415 -0.13105 -0.09914 36 3S -0.24234 0.66927 0.47297 0.12307 1.28508 37 3PX -0.06002 0.05730 0.48527 1.18827 -0.09125 38 3PY -0.14197 0.13806 0.19291 0.13344 0.33055 39 3PZ 0.06362 0.24740 0.33314 -0.49921 -0.81758 40 4XX 0.00236 -0.00183 -0.01521 0.00180 0.01028 41 4YY -0.00335 -0.01049 0.00251 -0.00078 0.00189 42 4ZZ 0.00078 -0.00519 0.00889 -0.00327 -0.02398 43 4XY -0.00133 0.00160 -0.01773 0.00762 -0.00054 44 4XZ 0.00080 -0.00284 -0.00776 -0.00146 -0.01388 45 4YZ -0.00610 0.00323 -0.00291 -0.00409 0.01218 46 4 C 1S 0.01305 0.06055 -0.03013 0.01370 -0.06152 47 2S -0.02083 -0.09494 0.05544 -0.02941 0.05139 48 2PX -0.03123 0.01284 0.10550 -0.29933 0.01907 49 2PY 0.00833 0.00091 -0.06474 0.01522 -0.07110 50 2PZ 0.03355 -0.03292 0.07427 0.13073 -0.09951 51 3S -0.24285 -0.66918 0.47336 -0.11968 1.28496 52 3PX -0.06022 -0.05724 0.48351 -1.18931 -0.08749 53 3PY 0.14226 0.13803 -0.19238 0.13245 -0.33167 54 3PZ 0.06349 -0.24731 0.33368 0.49630 -0.81891 55 4XX 0.00236 0.00183 -0.01522 -0.00173 0.01027 56 4YY -0.00335 0.01049 0.00250 0.00078 0.00191 57 4ZZ 0.00079 0.00520 0.00890 0.00316 -0.02399 58 4XY 0.00133 0.00160 0.01774 0.00759 0.00052 59 4XZ 0.00081 0.00284 -0.00775 0.00143 -0.01389 60 4YZ 0.00610 0.00323 0.00290 -0.00412 -0.01216 61 5 C 1S -0.03049 -0.05348 0.01359 -0.01860 0.04421 62 2S 0.04320 0.08633 -0.01744 0.04369 -0.05062 63 2PX 0.01100 0.00091 0.00265 0.02466 -0.03688 64 2PY -0.05153 -0.10981 0.09756 0.00624 -0.18655 65 2PZ 0.01418 0.00155 0.07726 0.00923 -0.19018 66 3S 0.45771 0.53108 -0.24676 0.23307 -0.78827 67 3PX 0.11775 0.07095 0.00485 0.38184 -0.21808 68 3PY -0.24791 -0.72505 0.46857 -0.09377 -0.92121 69 3PZ 0.08101 -0.08546 0.25206 0.03281 -0.84013 70 4XX -0.00320 0.00112 0.00294 -0.00542 0.00222 71 4YY -0.00205 -0.00461 -0.00279 0.00545 -0.00024 72 4ZZ -0.00168 -0.00894 0.00262 -0.00160 0.00443 73 4XY -0.00206 0.00611 0.00354 -0.01081 0.00143 74 4XZ -0.00276 -0.00723 0.00844 -0.01200 0.00164 75 4YZ 0.00098 0.00099 -0.00728 0.00212 0.00508 76 6 C 1S 0.00902 0.05859 -0.01517 -0.01033 0.00708 77 2S -0.03626 -0.13600 0.05892 0.00287 0.00099 78 2PX -0.01190 0.02095 -0.00001 -0.04953 0.06879 79 2PY 0.01277 0.01848 -0.02987 0.05812 0.09794 80 2PZ 0.02818 0.07635 0.02506 0.02027 0.09178 81 3S -0.05669 -0.42274 0.21139 0.49106 -0.42343 82 3PX 0.04431 0.39522 -0.03051 -0.02987 0.24401 83 3PY 0.08901 0.33950 -0.20720 0.27374 0.33809 84 3PZ 0.06057 0.60399 -0.09394 0.10304 0.42498 85 4XX 0.00059 -0.00135 0.00295 0.00344 -0.00451 86 4YY -0.00387 0.01273 0.00462 -0.00660 0.01302 87 4ZZ 0.00042 -0.00281 -0.00172 0.00599 -0.00901 88 4XY -0.00419 -0.00326 0.00701 0.00144 -0.00905 89 4XZ -0.00138 -0.00016 0.00315 0.00586 -0.01242 90 4YZ -0.00224 -0.00691 0.00326 -0.00123 0.00233 91 7 H 1S -0.00960 -0.01867 0.01228 -0.02160 -0.03802 92 2S 0.17195 -1.03855 -0.22788 -0.05948 0.72413 93 8 H 1S -0.01806 0.06790 0.00168 -0.02134 -0.00961 94 2S -0.47550 1.09022 0.63490 0.17015 -0.74454 95 9 H 1S -0.00009 -0.02510 -0.12094 -0.03208 0.02497 96 2S 0.16785 -0.45043 -1.03063 -1.22591 -0.28890 97 10 H 1S -0.00004 0.02508 -0.12088 0.03237 0.02481 98 2S 0.16855 0.45019 -1.02875 1.22671 -0.29343 99 11 H 1S -0.01808 -0.06788 0.00174 0.02128 -0.00972 100 2S -0.47621 -1.08970 0.63468 -0.17329 -0.74397 101 12 H 1S -0.00956 0.01868 0.01231 0.02147 -0.03809 102 2S 0.17316 1.03833 -0.22821 0.06230 0.72442 103 13 C 1S 0.04178 -0.03038 -0.00031 -0.00397 -0.01075 104 2S -0.08462 0.07268 -0.02231 0.00836 0.01289 105 2PX -0.05171 0.00313 -0.02242 0.02254 -0.00391 106 2PY -0.12662 0.03620 -0.00698 0.02665 0.02170 107 2PZ -0.00530 -0.08505 -0.00848 0.03448 -0.02709 108 3S -0.53932 0.21778 0.07225 -0.01534 0.18160 109 3PX -0.08825 -0.10862 0.04749 -0.00902 -0.02849 110 3PY -0.20034 0.38282 0.05295 0.08090 0.06294 111 3PZ -0.03354 -0.37424 0.00283 0.06914 -0.00110 112 4XX 0.00132 -0.00559 -0.00473 -0.00671 -0.00381 113 4YY 0.00335 -0.00683 0.00172 0.00170 0.00111 114 4ZZ 0.00173 0.00096 0.00023 0.00121 0.00002 115 4XY 0.01155 0.00104 0.00284 0.00372 -0.00426 116 4XZ -0.00065 -0.00172 -0.00252 -0.00325 0.00118 117 4YZ 0.01108 -0.00490 0.00438 0.00103 0.00162 118 14 O 1S 0.03754 -0.00431 0.01618 0.00884 0.00526 119 2S -0.03957 -0.00493 -0.01841 -0.01049 -0.01017 120 2PX -0.15565 0.01293 -0.08246 -0.02224 -0.00963 121 2PY 0.22890 0.01092 0.09689 0.05033 0.02993 122 2PZ -0.14117 0.05276 0.06624 0.01945 0.02164 123 3S -0.57432 0.12563 -0.25932 -0.10871 -0.07835 124 3PX -0.29284 0.01063 -0.10252 -0.00054 -0.01008 125 3PY 0.49012 -0.05551 0.16628 0.03387 0.03134 126 3PZ -0.27037 0.08401 0.09310 -0.00123 0.04713 127 4XX 0.01434 -0.00336 0.00696 0.01039 0.00301 128 4YY 0.01413 -0.00251 0.01073 0.00269 0.00062 129 4ZZ 0.01612 -0.00485 -0.00057 0.00183 -0.00040 130 4XY -0.00568 0.00008 -0.00763 -0.00085 -0.00251 131 4XZ -0.01376 0.00553 -0.00621 0.00775 -0.00283 132 4YZ -0.00571 -0.00204 -0.00121 -0.00675 0.00219 133 15 C 1S -0.13287 0.00006 0.00658 0.00003 0.01037 134 2S 0.21013 -0.00009 0.02146 -0.00011 -0.03317 135 2PX -0.15658 0.00008 -0.02948 0.00014 0.03800 136 2PY 0.00007 0.00208 0.00011 0.12176 -0.00022 137 2PZ -0.15354 0.00003 -0.33515 0.00005 -0.14495 138 3S 1.81188 -0.00075 -0.42563 -0.00014 -0.21408 139 3PX -0.64697 0.00032 0.08748 0.00019 0.07370 140 3PY 0.00015 -0.15172 0.00014 0.09343 -0.00006 141 3PZ -0.60753 0.00015 -0.96026 0.00024 -0.35310 142 4XX 0.01719 -0.00001 -0.00420 -0.00001 -0.00520 143 4YY -0.03106 0.00001 -0.00884 0.00000 -0.00538 144 4ZZ 0.00854 0.00000 0.02074 -0.00001 0.00607 145 4XY 0.00001 0.00318 0.00001 0.01285 -0.00002 146 4XZ -0.02413 0.00001 -0.00910 0.00000 -0.00454 147 4YZ 0.00000 0.00101 0.00000 0.00586 -0.00001 148 16 C 1S 0.04177 0.03036 -0.00030 0.00393 -0.01075 149 2S -0.08465 -0.07264 -0.02232 -0.00829 0.01291 150 2PX -0.05172 -0.00310 -0.02247 -0.02250 -0.00381 151 2PY 0.12666 0.03612 0.00701 0.02655 -0.02181 152 2PZ -0.00530 0.08505 -0.00850 -0.03456 -0.02697 153 3S -0.53898 -0.21749 0.07216 0.01604 0.18138 154 3PX -0.08829 0.10866 0.04748 0.00882 -0.02841 155 3PY 0.20065 0.38262 -0.05279 0.08070 -0.06337 156 3PZ -0.03351 0.37431 0.00279 -0.06914 -0.00080 157 4XX 0.00132 0.00559 -0.00472 0.00671 -0.00384 158 4YY 0.00335 0.00683 0.00172 -0.00170 0.00112 159 4ZZ 0.00172 -0.00097 0.00022 -0.00121 0.00003 160 4XY -0.01155 0.00105 -0.00284 0.00374 0.00424 161 4XZ -0.00065 0.00173 -0.00251 0.00326 0.00117 162 4YZ -0.01108 -0.00489 -0.00438 0.00103 -0.00162 163 17 H 1S 0.05445 -0.00002 -0.02905 -0.00001 -0.01541 164 2S -0.30245 0.00004 -0.22059 -0.00012 -0.13187 165 18 H 1S 0.02872 0.00000 0.11738 -0.00002 0.04449 166 2S -0.41069 0.00028 1.47322 -0.00012 0.62710 167 19 O 1S 0.03753 0.00428 0.01617 -0.00886 0.00529 168 2S -0.03956 0.00497 -0.01839 0.01049 -0.01021 169 2PX -0.15563 -0.01284 -0.08246 0.02239 -0.00971 170 2PY -0.22884 0.01112 -0.09685 0.05047 -0.03011 171 2PZ -0.14123 -0.05266 0.06619 -0.01947 0.02173 172 3S -0.57418 -0.12509 -0.25915 0.10898 -0.07874 173 3PX -0.29282 -0.01047 -0.10256 0.00074 -0.01004 174 3PY -0.49004 -0.05509 -0.16627 0.03416 -0.03146 175 3PZ -0.27048 -0.08383 0.09305 0.00128 0.04718 176 4XX 0.01433 0.00335 0.00695 -0.01039 0.00304 177 4YY 0.01413 0.00250 0.01073 -0.00270 0.00063 178 4ZZ 0.01613 0.00484 -0.00058 -0.00183 -0.00039 179 4XY 0.00569 0.00008 0.00763 -0.00085 0.00252 180 4XZ -0.01377 -0.00552 -0.00621 -0.00775 -0.00279 181 4YZ 0.00570 -0.00204 0.00121 -0.00676 -0.00216 182 20 H 1S -0.00472 0.01119 0.03955 -0.02665 0.06595 183 2S -0.02473 0.52561 -0.10503 -1.20352 0.08528 184 21 H 1S -0.00472 -0.01118 0.03960 0.02678 0.06587 185 2S -0.02506 -0.52553 -0.10301 1.20395 0.08161 186 22 H 1S -0.03844 -0.01575 -0.00971 -0.00109 0.00208 187 2S 0.39783 -0.72278 -0.02309 0.03190 -0.19441 188 23 H 1S -0.03843 0.01578 -0.00971 0.00110 0.00208 189 2S 0.39787 0.72255 -0.02301 -0.03268 -0.19422 61 62 63 64 65 V V V V V Eigenvalues -- 0.24911 0.30439 0.31362 0.32662 0.37013 1 1 C 1S -0.00768 -0.04923 -0.06112 0.00227 -0.00127 2 2S 0.01973 0.05124 0.03523 0.00790 0.02213 3 2PX 0.06483 0.02945 0.10792 0.06932 0.02059 4 2PY -0.01807 -0.19973 0.04503 0.03378 0.03084 5 2PZ 0.15616 -0.04034 0.10445 -0.05971 0.00494 6 3S 0.13939 1.39914 1.97655 0.08215 -0.13833 7 3PX 0.35999 -0.00095 0.90354 0.13315 0.04289 8 3PY -0.17733 -1.37780 0.73304 -0.09872 0.22936 9 3PZ 0.57678 -0.29777 0.79060 0.00003 -0.03208 10 4XX 0.00610 0.00236 -0.01765 -0.01091 -0.00253 11 4YY -0.00103 -0.02469 0.00745 0.01043 0.00338 12 4ZZ -0.00483 0.01758 -0.00118 0.00623 0.00019 13 4XY 0.00241 -0.00355 -0.02268 0.00382 -0.00019 14 4XZ 0.00233 0.01439 -0.01146 0.00795 0.00113 15 4YZ 0.00641 0.00069 -0.02428 -0.00019 0.00159 16 2 C 1S 0.00503 -0.05454 0.04998 -0.01183 -0.00112 17 2S 0.01908 0.06378 -0.05075 0.01458 -0.03163 18 2PX 0.03118 -0.03920 0.16621 -0.08600 -0.01372 19 2PY -0.04676 -0.04797 0.13032 0.02967 0.00220 20 2PZ -0.03019 0.15542 0.17494 0.02968 0.00022 21 3S -0.41629 1.37331 -1.44347 0.20229 0.12335 22 3PX 0.26603 -0.06148 1.07021 0.07206 0.13151 23 3PY -0.13570 -0.13803 0.85987 0.07396 -0.14657 24 3PZ 0.13916 0.67870 1.01314 0.10927 0.14430 25 4XX 0.00287 -0.00927 0.01016 0.00493 0.00618 26 4YY -0.00720 0.02212 -0.00265 -0.00404 -0.00162 27 4ZZ 0.00576 -0.01851 -0.00221 -0.00470 -0.00847 28 4XY 0.01179 0.01094 0.01299 0.00593 -0.00777 29 4XZ 0.00619 -0.01087 0.00237 0.00062 0.00587 30 4YZ 0.01996 0.01502 0.01317 -0.00466 0.00688 31 3 C 1S 0.04245 0.02517 0.01174 0.00098 0.00753 32 2S -0.04860 -0.02438 -0.00762 -0.00883 0.00490 33 2PX 0.03235 0.14629 0.02902 -0.00402 -0.01001 34 2PY 0.32592 -0.14221 -0.07088 -0.06989 0.01890 35 2PZ 0.12548 0.20180 0.02870 0.00683 0.05848 36 3S -0.69504 -0.42775 -0.49244 -0.01365 -0.20467 37 3PX 0.14519 0.58970 -0.15309 -0.00258 -0.00978 38 3PY 1.37302 -0.47736 -0.29422 -0.28808 0.14405 39 3PZ 0.45297 0.90093 0.04773 0.03158 0.24742 40 4XX -0.01494 0.00163 -0.00573 0.00480 0.00054 41 4YY 0.02627 -0.00809 0.01242 -0.00498 0.00126 42 4ZZ -0.00597 0.01032 -0.00592 -0.00218 0.00275 43 4XY 0.00264 0.00241 0.00662 0.00051 -0.00135 44 4XZ -0.00094 0.01343 -0.00628 0.00208 -0.01221 45 4YZ 0.00510 0.00510 -0.02348 -0.00169 0.00199 46 4 C 1S -0.04249 -0.02515 0.01176 -0.00099 -0.00754 47 2S 0.04862 0.02439 -0.00763 0.00884 -0.00491 48 2PX -0.03246 -0.14627 0.02932 0.00403 0.00997 49 2PY 0.32590 -0.14204 0.07117 -0.06991 0.01891 50 2PZ -0.12548 -0.20178 0.02894 -0.00687 -0.05845 51 3S 0.69598 0.42686 -0.49294 0.01372 0.20486 52 3PX -0.14566 -0.59002 -0.15180 0.00262 0.00969 53 3PY 1.37283 -0.47667 0.29527 -0.28809 0.14403 54 3PZ -0.45327 -0.90089 0.04897 -0.03168 -0.24750 55 4XX 0.01495 -0.00165 -0.00572 -0.00479 -0.00053 56 4YY -0.02628 0.00811 0.01239 0.00497 -0.00126 57 4ZZ 0.00595 -0.01032 -0.00589 0.00218 -0.00275 58 4XY 0.00264 0.00239 -0.00662 0.00051 -0.00136 59 4XZ 0.00092 -0.01344 -0.00626 -0.00208 0.01220 60 4YZ 0.00507 0.00514 0.02348 -0.00169 0.00198 61 5 C 1S -0.00501 0.05462 0.04988 0.01183 0.00112 62 2S -0.01911 -0.06386 -0.05067 -0.01457 0.03162 63 2PX -0.03122 0.03938 0.16614 0.08598 0.01369 64 2PY -0.04685 -0.04815 -0.13033 0.02964 0.00221 65 2PZ 0.02996 -0.15515 0.17513 -0.02968 -0.00026 66 3S 0.41593 -1.37547 -1.44090 -0.20213 -0.12332 67 3PX -0.26633 0.06295 1.06962 -0.07222 -0.13172 68 3PY -0.13610 -0.13922 -0.85991 0.07404 -0.14652 69 3PZ -0.14014 -0.67712 1.01376 -0.10938 -0.14451 70 4XX -0.00287 0.00930 0.01013 -0.00492 -0.00617 71 4YY 0.00719 -0.02213 -0.00261 0.00404 0.00162 72 4ZZ -0.00575 0.01851 -0.00224 0.00470 0.00847 73 4XY 0.01180 0.01092 -0.01300 0.00593 -0.00776 74 4XZ -0.00620 0.01089 0.00235 -0.00061 -0.00587 75 4YZ 0.01997 0.01499 -0.01318 -0.00466 0.00688 76 6 C 1S 0.00770 0.04913 -0.06119 -0.00226 0.00128 77 2S -0.01975 -0.05117 0.03529 -0.00790 -0.02212 78 2PX -0.06485 -0.02931 0.10793 -0.06931 -0.02060 79 2PY -0.01794 -0.19980 -0.04473 0.03378 0.03085 80 2PZ -0.15611 0.04049 0.10433 0.05972 -0.00493 81 3S -0.14008 -1.39621 1.97824 -0.08237 0.13810 82 3PX -0.36009 0.00208 0.90310 -0.13323 -0.04292 83 3PY -0.17679 -1.37892 -0.73113 -0.09860 0.22946 84 3PZ -0.57663 0.29874 0.78968 -0.00013 0.03204 85 4XX -0.00610 -0.00239 -0.01764 0.01091 0.00253 86 4YY 0.00104 0.02471 0.00739 -0.01043 -0.00338 87 4ZZ 0.00482 -0.01758 -0.00115 -0.00623 -0.00019 88 4XY 0.00240 -0.00351 0.02270 0.00382 -0.00020 89 4XZ -0.00234 -0.01441 -0.01143 -0.00795 -0.00113 90 4YZ 0.00641 0.00073 0.02428 -0.00019 0.00158 91 7 H 1S 0.00068 0.06453 0.08426 0.04222 0.00085 92 2S 0.70195 0.13214 0.19509 0.06215 -0.05947 93 8 H 1S -0.04858 0.09261 -0.02691 -0.01843 0.00913 94 2S 0.14672 -0.07505 -0.43576 -0.18363 0.11050 95 9 H 1S -0.05915 0.00897 -0.03398 0.01519 -0.03027 96 2S -0.65902 -0.47083 0.15213 0.11691 -0.11292 97 10 H 1S 0.05923 -0.00899 -0.03391 -0.01518 0.03026 98 2S 0.65912 0.47100 0.15126 -0.11693 0.11298 99 11 H 1S 0.04858 -0.09266 -0.02674 0.01844 -0.00914 100 2S -0.14715 0.07439 -0.43584 0.18355 -0.11044 101 12 H 1S -0.00072 -0.06441 0.08436 -0.04222 -0.00086 102 2S -0.70149 -0.13178 0.19512 -0.06215 0.05948 103 13 C 1S 0.00707 0.00782 -0.00109 0.02272 -0.11316 104 2S 0.00513 -0.00679 -0.00358 0.00748 0.12507 105 2PX 0.02775 -0.03857 -0.00294 0.12825 0.15942 106 2PY 0.04320 -0.00895 -0.00519 0.24083 -0.14950 107 2PZ -0.00628 0.05665 0.01926 0.08473 0.22706 108 3S -0.28476 -0.09037 -0.02073 -1.25393 2.60205 109 3PX 0.05063 -0.02084 -0.03788 0.70808 1.07755 110 3PY 0.29445 -0.17666 -0.02060 1.79277 -1.77023 111 3PZ -0.02140 0.08861 -0.02238 0.29515 0.98268 112 4XX -0.00157 -0.00080 -0.00318 -0.00393 0.00537 113 4YY 0.00600 0.00272 0.00030 0.02512 -0.02342 114 4ZZ -0.00244 0.00104 0.00005 -0.00402 0.01367 115 4XY 0.00176 0.00144 -0.00388 0.00482 -0.00227 116 4XZ -0.00086 0.00203 0.00058 -0.01351 -0.01115 117 4YZ 0.00090 0.00266 0.00371 -0.00093 0.00423 118 14 O 1S 0.00214 -0.00067 -0.00131 0.01840 0.04211 119 2S -0.00236 0.01326 -0.02282 -0.05336 -0.03818 120 2PX -0.01727 -0.03927 0.03690 0.18589 0.17937 121 2PY 0.00797 0.02594 -0.03329 -0.08118 0.01773 122 2PZ 0.03256 -0.00829 -0.01283 0.15780 0.16682 123 3S -0.00736 -0.01940 0.09576 -0.17067 -0.92177 124 3PX 0.01098 -0.04494 0.00261 0.44733 0.39736 125 3PY -0.01791 0.03109 -0.03097 -0.21315 0.29186 126 3PZ 0.04119 -0.04893 -0.00670 0.41042 0.27639 127 4XX 0.00244 0.00765 -0.00360 -0.00468 0.02430 128 4YY 0.00397 0.00385 -0.00886 0.00902 -0.00078 129 4ZZ -0.00188 -0.00048 -0.01008 -0.00492 0.01833 130 4XY -0.00587 0.00003 -0.00149 -0.02044 0.02167 131 4XZ 0.00771 0.00505 -0.00143 -0.00122 -0.01204 132 4YZ -0.00537 -0.00456 0.00267 -0.01789 0.01720 133 15 C 1S 0.00001 0.00001 0.00678 0.00000 0.00000 134 2S -0.00004 -0.00003 -0.02252 0.00001 -0.00002 135 2PX 0.00005 -0.00001 -0.00888 0.00000 0.00002 136 2PY 0.09127 0.07179 -0.00008 -0.03525 -0.31611 137 2PZ 0.00000 0.00001 0.02875 -0.00001 -0.00003 138 3S -0.00005 -0.00011 -0.05186 -0.00001 0.00004 139 3PX 0.00008 0.00008 0.03586 -0.00001 -0.00001 140 3PY -0.07853 0.09356 -0.00013 -0.95931 0.10076 141 3PZ -0.00001 0.00002 0.05968 -0.00012 0.00003 142 4XX 0.00000 0.00000 -0.00469 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00334 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00191 0.00000 0.00000 145 4XY 0.00726 0.00631 -0.00001 -0.00644 -0.01097 146 4XZ 0.00000 0.00000 0.00287 0.00000 0.00000 147 4YZ 0.00156 0.00332 -0.00001 -0.00987 -0.01510 148 16 C 1S -0.00707 -0.00782 -0.00107 -0.02273 0.11316 149 2S -0.00514 0.00677 -0.00359 -0.00745 -0.12508 150 2PX -0.02774 0.03854 -0.00301 -0.12825 -0.15943 151 2PY 0.04317 -0.00895 0.00521 0.24083 -0.14948 152 2PZ 0.00625 -0.05662 0.01933 -0.08466 -0.22711 153 3S 0.28481 0.09034 -0.02088 1.25394 -2.60203 154 3PX -0.05065 0.02079 -0.03803 -0.70804 -1.07761 155 3PY 0.29446 -0.17660 0.02088 1.79283 -1.76999 156 3PZ 0.02141 -0.08869 -0.02229 -0.29472 -0.98311 157 4XX 0.00158 0.00079 -0.00318 0.00393 -0.00536 158 4YY -0.00600 -0.00273 0.00030 -0.02511 0.02342 159 4ZZ 0.00244 -0.00104 0.00005 0.00402 -0.01367 160 4XY 0.00177 0.00144 0.00387 0.00482 -0.00227 161 4XZ 0.00086 -0.00204 0.00058 0.01351 0.01115 162 4YZ 0.00089 0.00266 -0.00372 -0.00093 0.00424 163 17 H 1S 0.00000 -0.00002 -0.01420 0.00000 0.00000 164 2S -0.00008 0.00002 0.04274 0.00000 -0.00001 165 18 H 1S 0.00000 0.00002 0.00723 0.00000 -0.00001 166 2S 0.00005 0.00004 -0.06127 0.00002 -0.00004 167 19 O 1S -0.00214 0.00066 -0.00131 -0.01839 -0.04211 168 2S 0.00236 -0.01330 -0.02278 0.05335 0.03818 169 2PX 0.01728 0.03933 0.03680 -0.18589 -0.17936 170 2PY 0.00801 0.02601 0.03323 -0.08117 0.01777 171 2PZ -0.03257 0.00827 -0.01285 -0.15780 -0.16683 172 3S 0.00745 0.01957 0.09574 0.17062 0.92181 173 3PX -0.01097 0.04494 0.00248 -0.44731 -0.39737 174 3PY -0.01784 0.03114 0.03092 -0.21308 0.29192 175 3PZ -0.04119 0.04894 -0.00682 -0.41045 -0.27633 176 4XX -0.00245 -0.00765 -0.00359 0.00469 -0.02430 177 4YY -0.00397 -0.00386 -0.00885 -0.00901 0.00077 178 4ZZ 0.00188 0.00046 -0.01008 0.00491 -0.01832 179 4XY -0.00587 0.00003 0.00149 -0.02044 0.02166 180 4XZ -0.00772 -0.00505 -0.00142 0.00122 0.01204 181 4YZ -0.00538 -0.00457 -0.00267 -0.01789 0.01720 182 20 H 1S 0.03646 0.01794 -0.04196 -0.00550 -0.02144 183 2S 0.53278 -0.09828 0.07722 -0.09633 0.19822 184 21 H 1S -0.03643 -0.01804 -0.04192 0.00550 0.02145 185 2S -0.53276 0.09857 0.07657 0.09634 -0.19825 186 22 H 1S -0.00774 0.01322 -0.01279 -0.02443 -0.06637 187 2S -0.09428 0.28189 0.02651 -0.34194 0.96141 188 23 H 1S 0.00773 -0.01324 -0.01277 0.02444 0.06639 189 2S 0.09415 -0.28181 0.02689 0.34195 -0.96151 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 -0.09297 -0.00204 -0.03357 -0.00378 -0.00425 2 2S 0.03023 -0.05807 0.01641 0.06497 -0.33228 3 2PX 0.04081 -0.09810 0.16388 0.12707 -0.08378 4 2PY -0.15075 0.05006 0.22075 0.24780 0.03598 5 2PZ 0.11604 0.12626 0.11081 0.13662 -0.06434 6 3S 3.56254 0.19257 1.45027 -0.00112 0.36936 7 3PX 1.02283 0.08561 1.81198 -0.14204 0.06534 8 3PY -2.25640 0.03524 1.70891 -0.36949 -0.01910 9 3PZ 1.26242 -0.11623 1.45125 -0.15645 0.07981 10 4XX 0.00255 0.00695 -0.01396 0.01031 -0.00994 11 4YY -0.00687 -0.00880 0.02035 -0.02339 -0.04663 12 4ZZ 0.00742 -0.00205 0.00212 0.01747 -0.01513 13 4XY 0.00892 -0.00696 0.00318 0.01909 -0.00376 14 4XZ 0.00498 -0.00170 -0.00249 0.01944 -0.03193 15 4YZ 0.00823 -0.00591 0.00462 0.01975 -0.00080 16 2 C 1S 0.08006 0.00727 0.04115 -0.00014 -0.00065 17 2S -0.05678 -0.09496 0.01191 0.02358 -0.13251 18 2PX -0.11019 -0.04985 0.05354 -0.24901 0.09738 19 2PY 0.12926 0.06165 0.05959 0.00812 0.00592 20 2PZ -0.14485 -0.02258 0.19036 -0.19376 0.07373 21 3S -2.35131 0.00579 -2.13741 0.15018 -0.00525 22 3PX 0.28446 0.04173 1.64584 0.47723 -0.05932 23 3PY 1.87576 -0.03998 0.91892 0.00692 0.10358 24 3PZ -0.57145 0.19693 1.79556 0.34700 -0.17689 25 4XX 0.00039 -0.00232 0.02197 0.01143 -0.00868 26 4YY 0.00201 0.01229 -0.00827 -0.00916 -0.00644 27 4ZZ -0.00842 -0.02266 -0.01410 -0.01042 -0.00569 28 4XY 0.01700 -0.01242 0.00696 0.02815 -0.01018 29 4XZ -0.01030 -0.00884 0.01371 0.01366 -0.02765 30 4YZ 0.00523 0.01339 0.01281 0.02801 0.00000 31 3 C 1S -0.05781 -0.00521 -0.00860 0.00041 0.00109 32 2S -0.02160 -0.06905 0.00017 0.06023 0.00095 33 2PX 0.01441 -0.16203 0.01057 0.07791 0.21392 34 2PY 0.02801 0.05275 -0.18925 -0.29522 -0.02152 35 2PZ -0.08586 0.16473 0.15344 0.04024 -0.00802 36 3S 1.82655 0.05263 0.03544 -0.21154 0.08736 37 3PX -0.50890 0.23936 -0.06472 -0.13895 -0.28046 38 3PY -0.40588 -0.05195 -1.14335 0.30685 0.05941 39 3PZ -1.62436 -0.14239 0.40057 -0.03686 -0.01695 40 4XX 0.01908 -0.00219 -0.00424 -0.01283 0.00773 41 4YY 0.00214 -0.01656 -0.00719 0.06121 0.00629 42 4ZZ -0.02746 -0.00826 0.01039 -0.03538 -0.00313 43 4XY 0.00207 -0.02133 0.00251 0.01223 0.02779 44 4XZ -0.01028 -0.02767 -0.02005 -0.00821 0.04330 45 4YZ -0.00175 0.01508 -0.00797 0.01224 -0.00196 46 4 C 1S 0.05782 -0.00518 0.00861 0.00041 0.00109 47 2S 0.02157 -0.06909 -0.00001 0.06026 0.00093 48 2PX -0.01436 -0.16201 -0.01013 0.07792 0.21393 49 2PY 0.02794 -0.05334 -0.18909 0.29535 0.02153 50 2PZ 0.08589 0.16434 -0.15379 0.04045 -0.00801 51 3S -1.82650 0.05279 -0.03549 -0.21178 0.08714 52 3PX 0.50924 0.23947 0.06398 -0.13881 -0.28029 53 3PY -0.40621 0.04917 -1.14343 -0.30637 -0.05984 54 3PZ 1.62420 -0.14356 -0.40059 -0.03655 -0.01695 55 4XX -0.01906 -0.00220 0.00426 -0.01283 0.00775 56 4YY -0.00216 -0.01653 0.00723 0.06120 0.00628 57 4ZZ 0.02745 -0.00828 -0.01039 -0.03537 -0.00315 58 4XY 0.00209 0.02135 0.00243 -0.01224 -0.02780 59 4XZ 0.01030 -0.02762 0.02009 -0.00822 0.04328 60 4YZ -0.00175 -0.01511 -0.00792 -0.01221 0.00196 61 5 C 1S -0.08006 0.00717 -0.04118 -0.00014 -0.00067 62 2S 0.05681 -0.09492 -0.01159 0.02363 -0.13255 63 2PX 0.11028 -0.04995 -0.05364 -0.24899 0.09734 64 2PY 0.12926 -0.06147 0.05985 -0.00805 -0.00595 65 2PZ 0.14489 -0.02299 -0.19040 -0.19364 0.07362 66 3S 2.35118 0.01072 2.13753 0.14954 -0.00426 67 3PX -0.28403 0.03767 -1.64572 0.47783 -0.05997 68 3PY 1.87562 0.04203 0.91943 -0.00720 -0.10299 69 3PZ 0.57182 0.19235 -1.79572 0.34789 -0.17731 70 4XX -0.00039 -0.00237 -0.02195 0.01143 -0.00869 71 4YY -0.00202 0.01231 0.00823 -0.00913 -0.00645 72 4ZZ 0.00843 -0.02262 0.01415 -0.01044 -0.00570 73 4XY 0.01698 0.01243 0.00692 -0.02816 0.01019 74 4XZ 0.01030 -0.00887 -0.01366 0.01365 -0.02766 75 4YZ 0.00523 -0.01335 0.01283 -0.02802 0.00001 76 6 C 1S 0.09297 -0.00197 0.03358 -0.00378 -0.00423 77 2S -0.03030 -0.05808 -0.01620 0.06498 -0.33230 78 2PX -0.04082 -0.09853 -0.16350 0.12710 -0.08382 79 2PY -0.15076 -0.04952 0.22077 -0.24797 -0.03591 80 2PZ -0.11611 0.12602 -0.11103 0.13659 -0.06442 81 3S -3.56238 0.18920 -1.45100 -0.00092 0.36856 82 3PX -1.02324 0.08124 -1.81207 -0.14132 0.06469 83 3PY -2.25597 -0.03090 1.70994 0.36860 0.01945 84 3PZ -1.26273 -0.11975 -1.45085 -0.15593 0.07922 85 4XX -0.00255 0.00698 0.01395 0.01030 -0.00993 86 4YY 0.00685 -0.00885 -0.02034 -0.02337 -0.04663 87 4ZZ -0.00741 -0.00206 -0.00209 0.01747 -0.01514 88 4XY 0.00893 0.00697 0.00314 -0.01910 0.00375 89 4XZ -0.00498 -0.00169 0.00252 0.01944 -0.03192 90 4YZ 0.00824 0.00592 0.00459 -0.01976 0.00080 91 7 H 1S -0.04078 0.00357 -0.03609 -0.01154 -0.07768 92 2S 1.03638 -0.07789 0.42457 0.04202 -0.04252 93 8 H 1S 0.08373 0.07548 -0.03354 -0.01004 -0.02088 94 2S -0.74067 0.00012 -0.21713 -0.02505 -0.07781 95 9 H 1S 0.05306 -0.08398 -0.07731 -0.02361 0.14629 96 2S 0.17288 -0.08878 0.11373 0.07986 0.02163 97 10 H 1S -0.05312 -0.08381 0.07754 -0.02365 0.14626 98 2S -0.17284 -0.08910 -0.11356 0.07984 0.02160 99 11 H 1S -0.08373 0.07556 0.03340 -0.01004 -0.02090 100 2S 0.74068 0.00061 0.21713 -0.02502 -0.07768 101 12 H 1S 0.04078 0.00365 0.03607 -0.01153 -0.07764 102 2S -1.03642 -0.07888 -0.42437 0.04207 -0.04273 103 13 C 1S -0.00852 -0.00397 0.00860 0.00102 -0.02783 104 2S 0.00024 -0.21688 -0.06338 -0.08095 -0.01547 105 2PX 0.01232 0.05378 -0.10274 -0.19444 0.16425 106 2PY -0.01551 0.31625 -0.06998 -0.02025 0.20518 107 2PZ -0.02133 0.10342 -0.11338 0.10949 0.29647 108 3S 0.24237 0.06156 0.06696 0.02887 0.07294 109 3PX -0.06033 -0.04813 -0.10784 0.22598 -0.16292 110 3PY -0.09739 -0.42507 -0.15024 -0.02387 -0.19063 111 3PZ 0.03028 -0.22618 -0.09941 -0.13180 -0.32428 112 4XX 0.00107 0.00757 -0.00262 -0.00457 0.00940 113 4YY -0.00313 -0.07468 -0.00896 -0.00698 -0.01798 114 4ZZ 0.00219 0.02592 0.00880 -0.00177 -0.03214 115 4XY -0.00293 0.00272 -0.00244 0.01435 -0.02750 116 4XZ 0.00122 -0.02770 0.00474 -0.00534 -0.02621 117 4YZ -0.00144 0.00263 0.00128 0.02036 0.00775 118 14 O 1S 0.00186 0.01079 -0.00850 -0.00174 0.01452 119 2S -0.02440 0.05182 -0.01347 -0.03067 -0.13484 120 2PX 0.04321 0.06605 -0.01184 -0.02347 -0.00452 121 2PY -0.02800 -0.08570 -0.04243 -0.07266 0.11358 122 2PZ -0.01783 0.04842 -0.07982 0.00510 0.13821 123 3S -0.02139 -0.49398 0.13298 0.07027 0.26430 124 3PX -0.00344 -0.04442 -0.11384 -0.07298 -0.06763 125 3PY 0.01734 0.33908 0.01410 0.01387 -0.01209 126 3PZ -0.00915 -0.00446 -0.06745 0.07319 0.03809 127 4XX -0.00512 0.05356 -0.01312 -0.00814 -0.01022 128 4YY -0.01150 -0.05527 -0.01108 -0.01384 -0.02059 129 4ZZ -0.00653 0.04797 -0.01708 -0.02073 -0.02284 130 4XY 0.00423 0.02183 -0.00800 -0.01260 0.00403 131 4XZ -0.00976 -0.01923 -0.01772 -0.01579 0.03917 132 4YZ 0.00900 0.02333 0.00245 -0.00084 0.00754 133 15 C 1S 0.00000 0.01004 -0.00001 0.00756 -0.01609 134 2S 0.00000 -0.36575 0.00046 -0.00673 0.09798 135 2PX 0.00004 0.37668 -0.00048 -0.13865 -0.29040 136 2PY -0.10844 -0.00004 0.00495 -0.00003 0.00002 137 2PZ 0.00002 0.31870 -0.00044 0.05629 0.03592 138 3S 0.00006 0.91963 -0.00119 -0.07168 -0.12255 139 3PX -0.00012 -0.79800 0.00106 0.39770 0.43643 140 3PY 0.12640 0.00024 0.10561 0.00001 0.00002 141 3PZ 0.00005 -0.71023 0.00102 -0.12293 -0.34429 142 4XX 0.00000 -0.01089 0.00001 -0.02611 -0.03732 143 4YY 0.00001 0.03632 -0.00005 0.00514 0.00492 144 4ZZ -0.00001 -0.01434 0.00002 0.02865 0.01858 145 4XY -0.00484 -0.00001 -0.00375 0.00000 0.00000 146 4XZ 0.00000 -0.01529 0.00003 0.01364 -0.00821 147 4YZ -0.00822 -0.00001 -0.00878 0.00000 0.00000 148 16 C 1S 0.00851 -0.00400 -0.00859 0.00102 -0.02782 149 2S -0.00017 -0.21670 0.06391 -0.08099 -0.01554 150 2PX -0.01225 0.05410 0.10248 -0.19450 0.16425 151 2PY -0.01547 -0.31643 -0.06920 0.02030 -0.20525 152 2PZ 0.02132 0.10370 0.11307 0.10942 0.29638 153 3S -0.24237 0.06163 -0.06720 0.02907 0.07280 154 3PX 0.06020 -0.04782 0.10807 0.22600 -0.16296 155 3PY -0.09747 0.42487 -0.15126 0.02399 0.19045 156 3PZ -0.03028 -0.22580 0.09996 -0.13170 -0.32412 157 4XX -0.00106 0.00758 0.00259 -0.00457 0.00939 158 4YY 0.00314 -0.07465 0.00915 -0.00699 -0.01798 159 4ZZ -0.00220 0.02589 -0.00885 -0.00177 -0.03215 160 4XY -0.00292 -0.00272 -0.00245 -0.01435 0.02750 161 4XZ -0.00121 -0.02772 -0.00467 -0.00534 -0.02621 162 4YZ -0.00143 -0.00265 0.00129 -0.02036 -0.00775 163 17 H 1S 0.00002 0.05631 -0.00009 -0.11198 -0.15010 164 2S 0.00004 0.05050 -0.00006 -0.09424 -0.07488 165 18 H 1S -0.00003 0.03704 -0.00005 0.07919 0.08961 166 2S -0.00009 0.00411 -0.00003 0.07707 0.24456 167 19 O 1S -0.00186 0.01082 0.00847 -0.00175 0.01451 168 2S 0.02441 0.05184 0.01332 -0.03065 -0.13483 169 2PX -0.04318 0.06608 0.01170 -0.02351 -0.00451 170 2PY -0.02800 0.08556 -0.04261 0.07267 -0.11358 171 2PZ 0.01782 0.04868 0.07962 0.00507 0.13817 172 3S 0.02137 -0.49437 -0.13162 0.07022 0.26426 173 3PX 0.00348 -0.04408 0.11393 -0.07298 -0.06761 174 3PY 0.01734 -0.33907 0.01495 -0.01391 0.01210 175 3PZ 0.00912 -0.00434 0.06747 0.07317 0.03810 176 4XX 0.00513 0.05360 0.01298 -0.00815 -0.01023 177 4YY 0.01150 -0.05523 0.01121 -0.01384 -0.02059 178 4ZZ 0.00653 0.04800 0.01694 -0.02073 -0.02285 179 4XY 0.00422 -0.02185 -0.00793 0.01261 -0.00404 180 4XZ 0.00977 -0.01918 0.01775 -0.01580 0.03916 181 4YZ 0.00900 -0.02335 0.00251 0.00084 -0.00754 182 20 H 1S -0.05920 0.13975 -0.06633 -0.02976 -0.17007 183 2S -0.28294 -0.06693 0.03731 0.04887 0.06074 184 21 H 1S 0.05926 0.13991 0.06602 -0.02978 -0.17010 185 2S 0.28285 -0.06705 -0.03719 0.04891 0.06075 186 22 H 1S -0.00191 -0.07817 0.02206 -0.08483 -0.19784 187 2S -0.07238 -0.02451 -0.02992 0.08759 -0.04187 188 23 H 1S 0.00192 -0.07826 -0.02183 -0.08483 -0.19783 189 2S 0.07233 -0.02435 0.03006 0.08764 -0.04189 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 -0.00605 0.00086 0.00970 -0.00162 0.04595 2 2S -0.17988 -0.02076 0.09702 0.19004 0.09133 3 2PX 0.01263 0.01980 0.01777 -0.19931 -0.01985 4 2PY 0.18845 -0.05073 0.00122 -0.09639 0.23831 5 2PZ 0.04499 -0.03791 -0.16570 0.26806 0.07357 6 3S 0.37911 -0.05675 -0.15447 -0.27844 -0.97572 7 3PX 0.09651 -0.01575 -0.00244 0.05853 -0.66277 8 3PY -0.22966 0.14572 0.03757 0.19695 -0.32630 9 3PZ -0.04116 -0.00548 0.14529 -0.27092 -0.61405 10 4XX 0.01531 0.00514 -0.00696 0.00157 -0.01362 11 4YY -0.04916 -0.01493 0.01349 0.04496 0.06038 12 4ZZ 0.00329 0.00250 0.02889 -0.01505 0.00265 13 4XY -0.00937 -0.00416 -0.03013 0.01830 0.00518 14 4XZ -0.00369 -0.00468 0.04122 -0.00957 0.03635 15 4YZ -0.00033 -0.00399 -0.03194 -0.00178 0.00603 16 2 C 1S 0.00899 -0.00573 -0.00059 0.00296 -0.01426 17 2S -0.00218 0.04224 -0.05167 -0.00460 0.08406 18 2PX 0.10642 0.08843 -0.06899 -0.10150 -0.31263 19 2PY -0.03799 -0.07528 0.15437 0.08889 0.03787 20 2PZ -0.12388 0.08035 -0.04270 0.04516 -0.10962 21 3S -0.34131 -0.12872 0.16730 0.27576 1.12944 22 3PX -0.14073 -0.16525 0.18586 0.04858 0.09997 23 3PY 0.32840 0.13226 -0.27350 -0.41111 -0.75555 24 3PZ 0.35712 0.01520 0.02005 -0.03801 -0.21580 25 4XX 0.01346 0.00387 -0.02920 0.00061 -0.00194 26 4YY 0.01941 -0.00489 0.05566 -0.00783 0.01821 27 4ZZ -0.02599 0.00242 -0.03662 0.01726 0.00643 28 4XY 0.00180 0.00196 0.00009 -0.01284 0.00476 29 4XZ -0.01480 -0.00896 -0.00276 0.02601 0.04069 30 4YZ 0.03559 0.01210 -0.01246 -0.01925 -0.02385 31 3 C 1S 0.00316 0.00388 0.00068 0.00096 -0.00265 32 2S -0.11649 -0.04276 -0.06192 0.09975 0.11664 33 2PX 0.01440 0.10525 0.06451 -0.23193 -0.04358 34 2PY -0.07441 0.07381 0.19303 -0.06793 0.05798 35 2PZ 0.27281 0.11206 0.09843 -0.27080 -0.16933 36 3S 0.15262 0.28514 -0.17567 -0.21713 -0.56033 37 3PX 0.00058 0.04621 -0.11788 0.26095 0.31132 38 3PY 0.04468 -0.15971 -0.25161 0.11985 0.31016 39 3PZ -0.32962 -0.08427 -0.05965 0.35087 0.42701 40 4XX 0.00287 -0.00995 0.02644 -0.03045 -0.00338 41 4YY -0.00477 0.00937 -0.04678 0.02867 0.00367 42 4ZZ -0.01540 0.00898 -0.00718 0.01714 -0.00003 43 4XY -0.00626 -0.00236 0.02247 -0.01528 -0.00002 44 4XZ -0.02149 0.00650 0.00210 -0.01425 -0.01262 45 4YZ 0.00579 -0.00422 0.03312 0.01483 0.00832 46 4 C 1S 0.00315 -0.00388 0.00067 0.00096 0.00265 47 2S -0.11648 0.04279 -0.06190 0.09979 -0.11671 48 2PX 0.01448 -0.10523 0.06439 -0.23222 0.04360 49 2PY 0.07437 0.07399 -0.19289 0.06793 0.05802 50 2PZ 0.27272 -0.11204 0.09838 -0.27084 0.16947 51 3S 0.15266 -0.28488 -0.17610 -0.21752 0.56047 52 3PX 0.00037 -0.04622 -0.11792 0.26131 -0.31148 53 3PY -0.04439 -0.15988 0.25148 -0.12019 0.31018 54 3PZ -0.32955 0.08419 -0.05949 0.35106 -0.42710 55 4XX 0.00286 0.00994 0.02645 -0.03047 0.00338 56 4YY -0.00476 -0.00933 -0.04679 0.02869 -0.00367 57 4ZZ -0.01540 -0.00897 -0.00719 0.01714 0.00004 58 4XY 0.00627 -0.00236 -0.02247 0.01527 0.00000 59 4XZ -0.02151 -0.00649 0.00205 -0.01421 0.01261 60 4YZ -0.00579 -0.00416 -0.03313 -0.01483 0.00835 61 5 C 1S 0.00901 0.00573 -0.00059 0.00294 0.01424 62 2S -0.00224 -0.04215 -0.05168 -0.00447 -0.08411 63 2PX 0.10641 -0.08833 -0.06902 -0.10175 0.31251 64 2PY 0.03795 -0.07499 -0.15441 -0.08891 0.03792 65 2PZ -0.12385 -0.08026 -0.04286 0.04519 0.10972 66 3S -0.34180 0.12837 0.16727 0.27647 -1.12940 67 3PX -0.14028 0.16505 0.18607 0.04865 -0.10008 68 3PY -0.32873 0.13168 0.27363 0.41169 -0.75586 69 3PZ 0.35730 -0.01527 0.02039 -0.03829 0.21540 70 4XX 0.01346 -0.00384 -0.02919 0.00061 0.00197 71 4YY 0.01942 0.00481 0.05566 -0.00782 -0.01826 72 4ZZ -0.02599 -0.00236 -0.03663 0.01728 -0.00645 73 4XY -0.00180 0.00195 -0.00007 0.01282 0.00480 74 4XZ -0.01481 0.00896 -0.00275 0.02605 -0.04075 75 4YZ -0.03557 0.01209 0.01249 0.01927 -0.02385 76 6 C 1S -0.00607 -0.00087 0.00970 -0.00160 -0.04594 77 2S -0.17987 0.02053 0.09702 0.19011 -0.09136 78 2PX 0.01261 -0.01972 0.01780 -0.19936 0.01959 79 2PY -0.18851 -0.05076 -0.00126 0.09626 0.23853 80 2PZ 0.04502 0.03795 -0.16570 0.26817 -0.07345 81 3S 0.37974 0.05709 -0.15455 -0.27920 0.97577 82 3PX 0.09703 0.01572 -0.00237 0.05805 0.66298 83 3PY 0.22953 0.14584 -0.03780 -0.19670 -0.32674 84 3PZ -0.04067 0.00549 0.14531 -0.27144 0.61393 85 4XX 0.01531 -0.00514 -0.00695 0.00155 0.01361 86 4YY -0.04916 0.01489 0.01349 0.04500 -0.06036 87 4ZZ 0.00329 -0.00253 0.02890 -0.01504 -0.00265 88 4XY 0.00936 -0.00419 0.03013 -0.01828 0.00513 89 4XZ -0.00369 0.00463 0.04124 -0.00955 -0.03635 90 4YZ 0.00032 -0.00403 0.03193 0.00179 0.00600 91 7 H 1S -0.01071 -0.02002 0.26221 -0.05703 0.16818 92 2S -0.04810 -0.06540 -0.11992 0.01410 -0.20194 93 8 H 1S 0.04057 -0.05771 0.26300 -0.01760 0.11258 94 2S -0.13426 -0.00640 -0.08723 0.20352 0.24331 95 9 H 1S -0.00184 -0.01445 0.15761 -0.13221 -0.08361 96 2S -0.01816 -0.15948 0.00870 0.10854 -0.22191 97 10 H 1S -0.00185 0.01436 0.15756 -0.13222 0.08356 98 2S -0.01812 0.15945 0.00899 0.10860 0.22209 99 11 H 1S 0.04058 0.05737 0.26304 -0.01750 -0.11284 100 2S -0.13437 0.00641 -0.08719 0.20369 -0.24336 101 12 H 1S -0.01072 0.01970 0.26224 -0.05694 -0.16828 102 2S -0.04789 0.06555 -0.11993 0.01395 0.20202 103 13 C 1S -0.00943 0.04597 -0.00656 -0.02133 0.01978 104 2S 0.01697 -0.04454 -0.16613 0.00676 -0.08470 105 2PX 0.33504 0.14740 -0.29026 0.00111 -0.43679 106 2PY 0.06254 0.18004 0.13177 0.18646 -0.07031 107 2PZ -0.13090 -0.03243 0.02835 0.07926 -0.05747 108 3S -0.14349 -1.08401 0.00742 -0.13930 -0.12596 109 3PX -0.40218 -0.68456 0.54044 0.14208 0.89798 110 3PY -0.19249 0.72468 -0.37967 -0.35579 0.13517 111 3PZ 0.17638 -0.27193 0.15186 -0.03091 0.07757 112 4XX -0.02496 -0.00941 -0.00439 0.00145 0.01655 113 4YY 0.00108 0.02172 -0.03085 -0.00932 -0.00732 114 4ZZ 0.00252 -0.00998 0.01537 -0.00805 0.02192 115 4XY -0.02332 -0.01329 0.04770 0.00791 -0.00655 116 4XZ -0.01118 0.01145 -0.01522 -0.02018 0.02833 117 4YZ -0.02614 -0.01530 0.00186 0.00882 0.00057 118 14 O 1S -0.00214 -0.00737 0.00119 0.00434 -0.00342 119 2S -0.13983 0.09623 -0.01278 -0.15653 0.07777 120 2PX 0.10179 0.02727 -0.07680 0.02810 -0.10069 121 2PY 0.15662 -0.21110 0.03959 0.11662 -0.14949 122 2PZ -0.08791 0.05693 -0.03764 -0.04649 -0.04628 123 3S 0.61693 -0.27774 0.07988 0.56875 -0.54572 124 3PX 0.00952 -0.21856 0.05000 -0.01000 -0.04143 125 3PY -0.19740 0.01619 -0.02199 -0.15444 0.09885 126 3PZ -0.12211 -0.25870 0.06371 0.01243 0.02113 127 4XX -0.04010 0.02060 -0.01280 -0.03972 -0.00344 128 4YY 0.00213 -0.00021 0.02100 -0.00639 0.01380 129 4ZZ -0.04400 0.01484 -0.01036 -0.04211 -0.00361 130 4XY 0.00353 0.05394 -0.01825 -0.01254 0.00364 131 4XZ 0.03595 -0.01609 -0.01298 0.02836 -0.05648 132 4YZ -0.00378 0.05933 -0.02253 -0.01779 -0.00426 133 15 C 1S -0.01514 0.00001 -0.00361 -0.02239 0.00000 134 2S 0.14613 -0.00017 0.13360 0.25155 0.00004 135 2PX -0.06753 0.00020 -0.17566 -0.28125 -0.00009 136 2PY -0.00001 -0.85347 -0.00054 -0.00015 -0.25768 137 2PZ -0.45845 0.00017 -0.22628 -0.30831 -0.00015 138 3S -0.30173 0.00028 -0.23260 -0.34910 -0.00009 139 3PX 0.11476 -0.00059 0.63375 0.66092 0.00035 140 3PY 0.00000 1.46683 0.00091 0.00021 0.53818 141 3PZ 0.94777 -0.00061 0.72815 0.94653 0.00050 142 4XX 0.02772 -0.00001 0.00797 0.01271 0.00000 143 4YY -0.03416 0.00004 -0.02557 -0.01962 0.00000 144 4ZZ -0.03183 -0.00001 0.00556 -0.02083 -0.00001 145 4XY 0.00000 -0.04312 -0.00003 -0.00001 -0.03034 146 4XZ 0.00054 -0.00003 0.03057 0.01648 0.00002 147 4YZ 0.00000 -0.05049 -0.00003 -0.00001 -0.02434 148 16 C 1S -0.00944 -0.04596 -0.00662 -0.02134 -0.01979 149 2S 0.01703 0.04473 -0.16622 0.00679 0.08442 150 2PX 0.33503 -0.14707 -0.29047 0.00085 0.43671 151 2PY -0.06247 0.18031 -0.13152 -0.18635 -0.07032 152 2PZ -0.13091 0.03242 0.02829 0.07929 0.05737 153 3S -0.14338 1.08415 0.00926 -0.13906 0.12644 154 3PX -0.40204 0.68385 0.54140 0.14278 -0.89767 155 3PY 0.19268 0.72390 0.38064 0.35595 0.13512 156 3PZ 0.17634 0.27188 0.15255 -0.03089 -0.07747 157 4XX -0.02496 0.00943 -0.00438 0.00147 -0.01654 158 4YY 0.00106 -0.02167 -0.03089 -0.00933 0.00730 159 4ZZ 0.00254 0.00996 0.01538 -0.00804 -0.02195 160 4XY 0.02332 -0.01323 -0.04772 -0.00791 -0.00657 161 4XZ -0.01118 -0.01142 -0.01525 -0.02019 -0.02836 162 4YZ 0.02613 -0.01531 -0.00189 -0.00883 0.00052 163 17 H 1S 0.06055 0.00007 -0.09368 -0.06891 -0.00006 164 2S 0.03875 0.00016 -0.19598 -0.13670 -0.00010 165 18 H 1S -0.16535 0.00015 -0.13055 -0.22994 -0.00011 166 2S -0.22762 0.00022 -0.20050 -0.31345 -0.00015 167 19 O 1S -0.00214 0.00737 0.00120 0.00435 0.00343 168 2S -0.13985 -0.09611 -0.01291 -0.15656 -0.07789 169 2PX 0.10180 -0.02719 -0.07684 0.02806 0.10067 170 2PY -0.15664 -0.21093 -0.03982 -0.11667 -0.14943 171 2PZ -0.08794 -0.05689 -0.03777 -0.04657 0.04618 172 3S 0.61704 0.27724 0.08014 0.56879 0.54596 173 3PX 0.00952 0.21852 0.05034 -0.00993 0.04150 174 3PY 0.19743 0.01600 0.02197 0.15444 0.09894 175 3PZ -0.12203 0.25864 0.06410 0.01262 -0.02101 176 4XX -0.04010 -0.02056 -0.01284 -0.03974 0.00339 177 4YY 0.00212 0.00015 0.02099 -0.00639 -0.01381 178 4ZZ -0.04400 -0.01477 -0.01037 -0.04211 0.00358 179 4XY -0.00353 0.05390 0.01833 0.01256 0.00366 180 4XZ 0.03596 0.01610 -0.01297 0.02835 0.05646 181 4YZ 0.00380 0.05929 0.02262 0.01783 -0.00425 182 20 H 1S 0.06275 0.00683 0.06191 0.05796 -0.06038 183 2S -0.05189 -0.04571 -0.01782 -0.02805 -0.01687 184 21 H 1S 0.06272 -0.00701 0.06182 0.05802 0.06039 185 2S -0.05195 0.04581 -0.01766 -0.02802 0.01692 186 22 H 1S 0.09125 0.08755 0.00256 -0.12370 0.04076 187 2S 0.08666 -0.39165 0.31231 0.18573 0.03409 188 23 H 1S 0.09121 -0.08754 0.00245 -0.12374 -0.04105 189 2S 0.08670 0.39116 0.31291 0.18587 -0.03402 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 0.02294 0.01988 0.00852 -0.02372 0.02650 2 2S -0.06307 -0.14438 0.12611 -0.22320 -0.02179 3 2PX -0.22299 0.05303 -0.48224 0.08621 0.26954 4 2PY -0.28149 -0.11567 0.06857 0.17261 0.07866 5 2PZ -0.12526 -0.25524 0.26106 0.06381 -0.15255 6 3S -0.04639 0.00719 -0.11456 0.67911 -0.29975 7 3PX 0.19966 -0.31683 0.61744 0.09326 -0.61320 8 3PY 0.30238 -0.24837 -0.23465 -0.19771 0.08380 9 3PZ 0.02674 -0.02198 -0.09243 0.11237 -0.09976 10 4XX -0.01056 0.00318 -0.01416 -0.02514 0.02657 11 4YY 0.02668 -0.01806 0.00204 -0.04661 0.01842 12 4ZZ 0.00416 0.00127 0.06270 0.00916 -0.02955 13 4XY 0.01575 0.00187 0.02490 0.01467 0.01088 14 4XZ 0.01697 0.01538 0.04334 -0.03474 0.01491 15 4YZ 0.02142 0.00097 -0.02861 0.02742 -0.00043 16 2 C 1S -0.04631 -0.03208 0.00297 0.02861 0.00126 17 2S 0.00214 -0.03544 0.14756 -0.06689 -0.05547 18 2PX 0.02283 0.01916 -0.15834 -0.19083 0.12211 19 2PY -0.11243 -0.11459 -0.06961 -0.08346 -0.01311 20 2PZ 0.00280 -0.12877 0.05829 0.22803 -0.47151 21 3S -0.11928 -0.08008 -0.47138 -0.23613 0.47030 22 3PX -0.30233 -0.45336 0.09790 0.42847 -0.18794 23 3PY 0.07665 0.24646 0.41888 0.77732 -0.26979 24 3PZ -0.12602 -0.32258 -0.05099 -0.09702 0.60586 25 4XX 0.02317 0.01957 0.01653 0.03105 -0.01822 26 4YY -0.03220 -0.03854 0.02954 -0.03261 0.01888 27 4ZZ -0.04532 -0.03156 -0.02864 0.01865 -0.00444 28 4XY -0.03577 -0.02181 0.02095 0.01415 -0.02063 29 4XZ -0.06398 -0.05132 -0.02251 0.00523 0.01099 30 4YZ 0.01037 0.03622 -0.02626 -0.01172 0.01810 31 3 C 1S 0.01475 0.00272 0.00444 -0.00858 -0.02528 32 2S -0.12540 -0.14550 -0.01731 -0.02011 0.23403 33 2PX 0.00933 0.09561 0.16375 0.06146 -0.07815 34 2PY -0.24644 0.04687 0.05493 0.33695 -0.31945 35 2PZ 0.33542 0.38610 0.05382 0.02735 0.01522 36 3S 0.33039 0.51286 0.01937 -0.10212 -1.00026 37 3PX 0.05092 -0.20253 -0.29613 -0.19840 0.18649 38 3PY 0.35139 0.01333 -0.17879 -0.64580 0.75633 39 3PZ -0.39522 -1.03813 -0.28758 -0.19838 0.11165 40 4XX -0.00544 0.01700 0.02318 0.03489 0.03158 41 4YY 0.01431 -0.00216 -0.02674 -0.06351 -0.03133 42 4ZZ -0.00033 -0.02034 0.00268 0.00941 -0.00900 43 4XY -0.01813 -0.00334 0.01066 -0.00903 0.00517 44 4XZ -0.00125 -0.00806 0.00997 -0.01346 -0.02599 45 4YZ -0.00832 0.00062 0.00250 -0.04211 0.01763 46 4 C 1S 0.01476 -0.00271 0.00442 -0.00859 0.02528 47 2S -0.12543 0.14553 -0.01682 -0.01977 -0.23402 48 2PX 0.00947 -0.09609 0.16355 0.06151 0.07830 49 2PY 0.24618 0.04767 -0.05464 -0.33673 -0.31946 50 2PZ 0.33543 -0.38615 0.05292 0.02654 -0.01539 51 3S 0.33030 -0.51262 0.01759 -0.10332 1.00027 52 3PX 0.05088 0.20356 -0.29576 -0.19834 -0.18686 53 3PY -0.35150 0.01157 0.17841 0.64563 0.75636 54 3PZ -0.39521 1.03886 -0.28490 -0.19613 -0.11138 55 4XX -0.00546 -0.01709 0.02316 0.03486 -0.03156 56 4YY 0.01432 0.00232 -0.02675 -0.06353 0.03132 57 4ZZ -0.00033 0.02030 0.00272 0.00947 0.00900 58 4XY 0.01813 -0.00334 -0.01066 0.00904 0.00515 59 4XZ -0.00126 0.00810 0.00996 -0.01346 0.02602 60 4YZ 0.00832 0.00055 -0.00252 0.04209 0.01761 61 5 C 1S -0.04634 0.03202 0.00304 0.02867 -0.00125 62 2S 0.00222 0.03522 0.14761 -0.06688 0.05547 63 2PX 0.02251 -0.01846 -0.15844 -0.19098 -0.12216 64 2PY 0.11248 -0.11494 0.06935 0.08320 -0.01327 65 2PZ 0.00279 0.12830 0.05843 0.22831 0.47159 66 3S -0.11830 0.08143 -0.47090 -0.23588 -0.47033 67 3PX -0.30235 0.45235 0.09896 0.42945 0.18794 68 3PY -0.07604 0.24849 -0.41811 -0.77684 -0.26963 69 3PZ -0.12650 0.32264 -0.05008 -0.09655 -0.60611 70 4XX 0.02318 -0.01966 0.01648 0.03102 0.01819 71 4YY -0.03221 0.03853 0.02963 -0.03256 -0.01884 72 4ZZ -0.04532 0.03159 -0.02856 0.01869 0.00443 73 4XY 0.03577 -0.02174 -0.02099 -0.01420 -0.02066 74 4XZ -0.06397 0.05134 -0.02240 0.00532 -0.01099 75 4YZ -0.01034 0.03614 0.02637 0.01177 0.01811 76 6 C 1S 0.02299 -0.01986 0.00849 -0.02374 -0.02650 77 2S -0.06306 0.14433 0.12641 -0.22295 0.02180 78 2PX -0.22306 -0.05211 -0.48235 0.08604 -0.26956 79 2PY 0.28137 -0.11528 -0.06887 -0.17296 0.07858 80 2PZ -0.12517 0.25441 0.26164 0.06429 0.15255 81 3S -0.04730 -0.00807 -0.11473 0.67914 0.29956 82 3PX 0.19894 0.31529 0.61806 0.09398 0.61325 83 3PY -0.30207 -0.24918 0.23396 0.19727 0.08388 84 3PZ 0.02603 0.02205 -0.09249 0.11243 0.09986 85 4XX -0.01058 -0.00313 -0.01417 -0.02517 -0.02657 86 4YY 0.02674 0.01811 0.00210 -0.04654 -0.01844 87 4ZZ 0.00416 -0.00141 0.06270 0.00916 0.02957 88 4XY -0.01574 0.00197 -0.02490 -0.01467 0.01090 89 4XZ 0.01700 -0.01542 0.04332 -0.03476 -0.01489 90 4YZ -0.02143 0.00097 0.02859 -0.02743 -0.00040 91 7 H 1S 0.01104 0.04072 0.20322 -0.23034 0.06949 92 2S 0.00033 -0.13990 0.08617 0.12256 -0.16895 93 8 H 1S -0.23795 -0.16244 0.10842 -0.05980 0.02508 94 2S 0.00842 -0.03200 -0.24801 -0.31259 0.05897 95 9 H 1S -0.01261 0.06798 0.15702 0.00616 -0.03306 96 2S -0.01749 0.01840 0.09282 0.12526 -0.13485 97 10 H 1S -0.01269 -0.06828 0.15683 0.00603 0.03315 98 2S -0.01767 -0.01867 0.09268 0.12502 0.13495 99 11 H 1S -0.23793 0.16230 0.10879 -0.05953 -0.02492 100 2S 0.00863 0.03296 -0.24787 -0.31250 -0.05906 101 12 H 1S 0.01120 -0.04075 0.20319 -0.23035 -0.06933 102 2S 0.00004 0.13950 0.08641 0.12284 0.16895 103 13 C 1S -0.00533 -0.01847 0.01196 -0.00899 0.01500 104 2S -0.34788 -0.22844 0.13599 -0.21701 -0.14377 105 2PX -0.10718 -0.17654 0.12751 -0.04008 0.01438 106 2PY -0.06045 -0.33666 -0.16230 -0.06959 0.23753 107 2PZ -0.12499 -0.23649 -0.04750 -0.12718 0.11717 108 3S 0.64570 0.66026 0.03154 0.46221 0.68287 109 3PX 0.26488 0.53562 -0.14689 0.14185 -0.17588 110 3PY 0.16179 0.33467 0.39368 0.20970 -0.76947 111 3PZ 0.19565 0.51819 -0.00361 0.06561 0.15661 112 4XX 0.01624 0.02774 0.02568 0.00533 -0.05020 113 4YY -0.03594 -0.06439 0.03854 -0.01191 0.04354 114 4ZZ -0.01961 0.00805 -0.02287 -0.02908 -0.00402 115 4XY 0.01725 0.00330 -0.01257 0.01360 0.00558 116 4XZ -0.01730 0.00244 0.01810 -0.01522 0.00563 117 4YZ 0.04665 0.00504 -0.00041 0.05780 -0.00840 118 14 O 1S 0.00312 0.00518 0.00037 0.00267 -0.00253 119 2S -0.02577 -0.02866 0.01989 -0.06325 0.05444 120 2PX -0.05913 -0.07575 -0.00542 0.03001 0.01938 121 2PY -0.10312 -0.09267 -0.03136 -0.13872 0.02637 122 2PZ -0.03144 -0.05436 0.04669 -0.04803 -0.04084 123 3S -0.12412 -0.39296 -0.09205 0.00186 -0.03974 124 3PX 0.10640 0.16417 0.02320 0.05366 -0.02378 125 3PY 0.01751 0.07623 -0.03001 0.02718 0.03780 126 3PZ 0.10298 0.11049 0.00094 0.02987 -0.03688 127 4XX -0.03160 -0.04997 -0.00158 -0.03268 0.03823 128 4YY -0.00103 0.00504 0.00501 -0.02292 0.00363 129 4ZZ -0.00323 -0.00951 0.00512 -0.01443 0.00613 130 4XY -0.01986 -0.01734 -0.00227 -0.02097 -0.00114 131 4XZ -0.03221 -0.05520 0.00738 -0.01461 0.01014 132 4YZ -0.00810 -0.01179 0.00719 -0.00979 -0.00319 133 15 C 1S 0.00672 -0.00001 0.00311 0.00174 0.00000 134 2S -0.03543 0.00006 -0.00720 -0.03274 0.00003 135 2PX -0.08768 -0.00010 0.02112 0.02758 -0.00001 136 2PY 0.00009 0.04603 0.00006 0.00016 -0.00713 137 2PZ -0.04553 0.00004 0.08453 -0.12315 0.00005 138 3S -0.01863 0.00000 -0.07414 0.07533 -0.00008 139 3PX 0.46547 0.00030 -0.14446 0.05287 -0.00002 140 3PY -0.00022 -0.09953 -0.00012 -0.00036 0.07581 141 3PZ 0.29341 0.00001 -0.34157 0.52020 -0.00020 142 4XX 0.00060 0.00001 -0.01688 0.00842 -0.00001 143 4YY -0.00665 -0.00002 0.01212 0.01985 0.00000 144 4ZZ 0.00259 0.00001 0.01032 -0.02785 0.00001 145 4XY 0.00001 -0.02055 -0.00002 -0.00001 0.01142 146 4XZ 0.03118 0.00000 -0.01174 0.03020 -0.00001 147 4YZ 0.00001 -0.00655 0.00000 0.00001 -0.00525 148 16 C 1S -0.00533 0.01845 0.01201 -0.00896 -0.01498 149 2S -0.34791 0.22836 0.13645 -0.21671 0.14396 150 2PX -0.10749 0.17616 0.12794 -0.03994 -0.01432 151 2PY 0.06075 -0.33713 0.16146 0.06923 0.23766 152 2PZ -0.12510 0.23677 -0.04698 -0.12694 -0.11708 153 3S 0.64553 -0.66067 0.03016 0.46102 -0.68304 154 3PX 0.26554 -0.53526 -0.14817 0.14134 0.17572 155 3PY -0.16221 0.33584 -0.39267 -0.20958 -0.76965 156 3PZ 0.19563 -0.51817 -0.00475 0.06496 -0.15685 157 4XX 0.01626 -0.02779 0.02561 0.00531 0.05021 158 4YY -0.03597 0.06431 0.03870 -0.01181 -0.04350 159 4ZZ -0.01961 -0.00798 -0.02289 -0.02911 0.00401 160 4XY -0.01724 0.00327 0.01258 -0.01359 0.00559 161 4XZ -0.01729 -0.00246 0.01810 -0.01521 -0.00562 162 4YZ -0.04666 0.00513 0.00044 -0.05779 -0.00839 163 17 H 1S -0.08721 -0.00002 -0.00112 -0.02244 0.00000 164 2S -0.20516 -0.00018 0.09487 -0.00112 0.00003 165 18 H 1S -0.08734 -0.00002 0.10539 -0.19898 0.00008 166 2S -0.05849 -0.00002 0.14871 -0.19917 0.00008 167 19 O 1S 0.00312 -0.00518 0.00036 0.00266 0.00252 168 2S -0.02573 0.02869 0.01997 -0.06314 -0.05439 169 2PX -0.05923 0.07564 -0.00524 0.03002 -0.01941 170 2PY 0.10324 -0.09290 0.03115 0.13869 0.02634 171 2PZ -0.03145 0.05432 0.04680 -0.04788 0.04090 172 3S -0.12453 0.39307 -0.09116 0.00202 0.03972 173 3PX 0.10640 -0.16423 0.02278 0.05345 0.02375 174 3PY -0.01760 0.07620 0.03016 -0.02714 0.03785 175 3PZ 0.10300 -0.11044 0.00067 0.02965 0.03687 176 4XX -0.03162 0.05001 -0.00146 -0.03261 -0.03822 177 4YY -0.00102 -0.00501 0.00500 -0.02291 -0.00361 178 4ZZ -0.00324 0.00952 0.00513 -0.01440 -0.00612 179 4XY 0.01987 -0.01738 0.00224 0.02094 -0.00114 180 4XZ -0.03226 0.05519 0.00750 -0.01454 -0.01012 181 4YZ 0.00810 -0.01178 -0.00722 0.00976 -0.00319 182 20 H 1S 0.02458 -0.02264 0.06165 0.03827 0.04351 183 2S 0.03054 -0.10404 0.06977 0.06520 0.16973 184 21 H 1S 0.02451 0.02243 0.06172 0.03829 -0.04346 185 2S 0.03051 0.10379 0.07016 0.06546 -0.16983 186 22 H 1S -0.17112 -0.09505 0.00233 -0.28341 0.20256 187 2S 0.04866 0.04672 -0.18005 0.01040 0.24487 188 23 H 1S -0.17117 0.09539 0.00260 -0.28332 -0.20245 189 2S 0.04861 -0.04633 -0.18007 0.01030 -0.24498 81 82 83 84 85 V V V V V Eigenvalues -- 0.66309 0.67863 0.71283 0.72293 0.74094 1 1 C 1S 0.04388 -0.04068 -0.02180 -0.00066 0.02246 2 2S -0.18412 -0.01602 -0.19125 0.03952 -0.11316 3 2PX -0.42792 -0.01925 -0.02954 -0.14846 0.36932 4 2PY 0.24122 -0.19976 0.19014 -0.00913 0.10215 5 2PZ 0.16985 -0.06715 0.12730 0.11290 -0.23440 6 3S 0.68027 -0.05597 -0.49764 0.33055 0.35978 7 3PX 0.68474 0.01983 -0.17952 0.43475 -0.95781 8 3PY -0.61407 -0.00953 -0.28694 0.08006 -0.15933 9 3PZ -0.27665 0.18086 -0.44487 -0.17982 0.40889 10 4XX -0.01811 -0.00021 -0.01721 -0.00203 -0.00083 11 4YY 0.05568 -0.03387 -0.03657 0.00920 0.01783 12 4ZZ 0.00473 -0.01634 -0.01255 0.00319 -0.01675 13 4XY 0.00625 0.00961 -0.05108 0.03838 0.00899 14 4XZ 0.04063 -0.04481 -0.05958 0.00283 0.01290 15 4YZ 0.01271 0.00702 -0.03756 0.01358 0.00660 16 2 C 1S -0.01596 -0.00038 0.01540 0.00177 0.01016 17 2S 0.13199 -0.19974 -0.31505 -0.15350 0.06540 18 2PX -0.20698 0.02794 0.22061 0.27923 -0.33050 19 2PY -0.09175 0.21999 0.38879 -0.10199 0.03092 20 2PZ -0.16108 0.02607 0.03771 -0.57861 0.07899 21 3S -0.52206 0.56571 0.75141 0.51812 0.17579 22 3PX -0.05437 -0.06068 -0.79422 -0.18664 0.62045 23 3PY 0.31371 -0.59577 -0.95230 0.28768 -0.04435 24 3PZ 0.20163 -0.12252 -0.14152 1.37121 -0.13484 25 4XX 0.03423 -0.01574 -0.00043 0.00462 -0.00737 26 4YY -0.02155 -0.01495 0.02482 -0.04484 -0.00825 27 4ZZ -0.01795 0.02117 -0.01898 0.02189 0.03448 28 4XY -0.01044 -0.01117 -0.00612 -0.01330 0.01581 29 4XZ -0.03371 -0.00779 0.01103 0.00163 0.00905 30 4YZ -0.02063 -0.02493 0.01128 -0.01103 -0.00451 31 3 C 1S -0.01275 -0.02764 0.00405 -0.02146 -0.00405 32 2S 0.06146 0.31582 -0.10741 0.11662 0.02068 33 2PX 0.07099 0.01415 -0.09411 -0.04722 0.06430 34 2PY -0.29713 -0.45346 -0.08285 0.29163 0.06658 35 2PZ 0.11986 -0.24331 -0.14121 -0.10988 -0.12047 36 3S -0.24957 -1.09497 0.30099 -0.91079 0.10665 37 3PX -0.11585 0.11568 0.30530 0.18960 -0.20502 38 3PY 0.62682 1.47117 0.38916 -0.66666 -0.24655 39 3PZ -0.33522 0.97895 0.40948 0.37641 0.37338 40 4XX 0.01801 0.00982 -0.02295 0.03434 -0.00571 41 4YY -0.02990 -0.03741 0.01019 -0.01433 0.00689 42 4ZZ 0.00502 0.02596 0.00647 -0.04538 -0.00187 43 4XY -0.00144 -0.00090 -0.01800 0.02753 0.00016 44 4XZ -0.00003 0.01833 -0.01212 -0.00582 0.00857 45 4YZ 0.00860 0.00199 0.06660 -0.00364 -0.00245 46 4 C 1S 0.01275 0.02763 0.00405 -0.02146 0.00409 47 2S -0.06148 -0.31582 -0.10738 0.11659 -0.02067 48 2PX -0.07091 -0.01410 -0.09440 -0.04713 -0.06431 49 2PY -0.29714 -0.45360 0.08288 -0.29160 0.06696 50 2PZ -0.11988 0.24319 -0.14118 -0.10987 0.12095 51 3S 0.24957 1.09490 0.30094 -0.91079 -0.10540 52 3PX 0.11572 -0.11601 0.30609 0.18939 0.20490 53 3PY 0.62687 1.47161 -0.38956 0.66666 -0.24723 54 3PZ 0.33521 -0.97858 0.40926 0.37643 -0.37488 55 4XX -0.01801 -0.00982 -0.02296 0.03436 0.00568 56 4YY 0.02989 0.03740 0.01022 -0.01434 -0.00686 57 4ZZ -0.00502 -0.02595 0.00646 -0.04540 0.00195 58 4XY -0.00145 -0.00093 0.01800 -0.02753 0.00018 59 4XZ 0.00004 -0.01834 -0.01213 -0.00582 -0.00854 60 4YZ 0.00863 0.00203 -0.06661 0.00366 -0.00234 61 5 C 1S 0.01596 0.00040 0.01539 0.00176 -0.01016 62 2S -0.13193 0.19973 -0.31508 -0.15356 -0.06501 63 2PX 0.20705 -0.02791 0.22035 0.27949 0.33114 64 2PY -0.09175 0.22002 -0.38877 0.10207 0.03108 65 2PZ 0.16104 -0.02597 0.03752 -0.57867 -0.07810 66 3S 0.52181 -0.56591 0.75198 0.51778 -0.17651 67 3PX 0.05432 0.06078 -0.79429 -0.18666 -0.62181 68 3PY 0.31344 -0.59610 0.95247 -0.28805 -0.04453 69 3PZ -0.20151 0.12248 -0.14147 1.37143 0.13255 70 4XX -0.03422 0.01575 -0.00044 0.00463 0.00741 71 4YY 0.02156 0.01496 0.02482 -0.04487 0.00828 72 4ZZ 0.01794 -0.02117 -0.01897 0.02187 -0.03449 73 4XY -0.01045 -0.01118 0.00615 0.01328 0.01575 74 4XZ 0.03370 0.00779 0.01102 0.00163 -0.00899 75 4YZ -0.02063 -0.02493 -0.01127 0.01102 -0.00454 76 6 C 1S -0.04388 0.04066 -0.02178 -0.00066 -0.02252 77 2S 0.18407 0.01595 -0.19133 0.03953 0.11333 78 2PX 0.42780 0.01922 -0.02953 -0.14882 -0.36927 79 2PY 0.24110 -0.19987 -0.18995 0.00901 0.10183 80 2PZ -0.16974 0.06717 0.12712 0.11317 0.23478 81 3S -0.68017 0.05631 -0.49778 0.33083 -0.36110 82 3PX -0.68457 -0.01970 -0.18008 0.43583 0.95745 83 3PY -0.61383 -0.00941 0.28718 -0.08005 -0.15860 84 3PZ 0.27651 -0.18076 -0.44505 -0.17994 -0.40947 85 4XX 0.01809 0.00021 -0.01717 -0.00206 0.00080 86 4YY -0.05571 0.03385 -0.03662 0.00923 -0.01787 87 4ZZ -0.00470 0.01634 -0.01255 0.00319 0.01677 88 4XY 0.00622 0.00961 0.05107 -0.03837 0.00902 89 4XZ -0.04063 0.04480 -0.05955 0.00282 -0.01298 90 4YZ 0.01271 0.00700 0.03755 -0.01357 0.00665 91 7 H 1S 0.15104 -0.17453 -0.03547 -0.04073 0.03704 92 2S 0.04252 0.24952 -0.17658 0.10201 -0.11770 93 8 H 1S -0.14274 -0.13516 0.05771 -0.09198 -0.02545 94 2S 0.00290 0.13453 0.31163 -0.05813 0.02084 95 9 H 1S -0.02427 -0.14081 -0.07604 0.01290 -0.05497 96 2S -0.07956 -0.35721 -0.19625 -0.08560 0.07321 97 10 H 1S 0.02429 0.14092 -0.07619 0.01306 0.05518 98 2S 0.07964 0.35713 -0.19644 -0.08554 -0.07301 99 11 H 1S 0.14272 0.13515 0.05764 -0.09197 0.02560 100 2S -0.00302 -0.13466 0.31159 -0.05812 -0.02095 101 12 H 1S -0.15106 0.17446 -0.03550 -0.04068 -0.03740 102 2S -0.04245 -0.24941 -0.17679 0.10224 0.11778 103 13 C 1S -0.00160 -0.01345 0.00635 -0.01661 0.00627 104 2S 0.09425 0.02704 -0.16152 -0.11920 0.33762 105 2PX 0.29344 -0.08912 0.01223 -0.09393 0.31906 106 2PY -0.09450 -0.20690 -0.16807 -0.02574 -0.38107 107 2PZ -0.10988 -0.05387 -0.22051 0.06929 0.00957 108 3S -0.51522 -0.34659 0.49841 0.50479 -1.86999 109 3PX -0.68338 0.25204 0.15966 0.02797 -1.00509 110 3PY 0.32309 0.69184 0.37788 0.19770 1.04120 111 3PZ 0.05506 -0.03146 0.45959 0.00727 -0.60712 112 4XX 0.01615 0.03512 0.03097 -0.02274 0.01324 113 4YY -0.01973 -0.03974 0.00460 -0.01106 -0.05511 114 4ZZ -0.00313 -0.00451 -0.03595 0.00307 0.02737 115 4XY -0.00430 -0.00343 0.03107 0.02836 -0.01759 116 4XZ -0.00650 0.00723 0.00864 -0.00056 -0.00374 117 4YZ -0.00047 0.00722 -0.00738 0.00892 -0.00480 118 14 O 1S -0.00051 0.00501 0.00676 0.00639 -0.00806 119 2S -0.03361 -0.00152 -0.02270 0.00865 -0.04027 120 2PX 0.05317 -0.09552 -0.18951 -0.02528 0.09256 121 2PY 0.02597 -0.10272 -0.10306 -0.06961 0.07019 122 2PZ -0.00894 0.10320 0.08253 0.01063 -0.05270 123 3S 0.25036 -0.25321 -0.28672 -0.18783 0.61520 124 3PX -0.04270 0.08570 0.22139 0.10734 -0.24788 125 3PY -0.05040 0.05920 0.07823 0.06085 -0.16546 126 3PZ -0.06206 -0.02944 0.03332 0.01418 -0.09692 127 4XX -0.00803 -0.02371 -0.04355 0.00606 -0.00330 128 4YY -0.00430 0.01188 -0.00046 -0.00066 0.00725 129 4ZZ -0.00240 -0.00409 0.00703 0.00569 -0.02206 130 4XY 0.00575 0.00622 -0.00989 -0.00274 0.02695 131 4XZ 0.01986 -0.01618 -0.02284 -0.00368 0.03064 132 4YZ 0.02322 0.00584 -0.00951 -0.01710 0.04016 133 15 C 1S 0.00000 0.00000 -0.00782 -0.00062 -0.00001 134 2S -0.00001 -0.00008 -0.02791 0.03204 -0.00017 135 2PX 0.00000 0.00006 -0.14208 0.04271 0.00001 136 2PY -0.00690 -0.11718 -0.00006 0.00003 0.00317 137 2PZ 0.00000 -0.00009 0.19919 -0.00973 0.00000 138 3S 0.00003 0.00013 0.07491 -0.03202 0.00035 139 3PX 0.00001 -0.00009 0.55979 -0.11937 0.00016 140 3PY 0.02810 0.23173 0.00009 -0.00004 0.09580 141 3PZ 0.00005 0.00017 -0.30145 0.09417 0.00019 142 4XX 0.00000 0.00000 -0.01673 0.00899 -0.00001 143 4YY 0.00001 0.00000 0.00982 0.02204 -0.00004 144 4ZZ -0.00001 -0.00001 0.00294 -0.01697 0.00000 145 4XY 0.01311 -0.01827 -0.00001 0.00001 0.02575 146 4XZ 0.00001 0.00000 0.03375 0.01119 0.00002 147 4YZ 0.00173 -0.01544 0.00000 0.00001 0.01047 148 16 C 1S 0.00159 0.01345 0.00636 -0.01663 -0.00627 149 2S -0.09432 -0.02712 -0.16154 -0.11922 -0.33761 150 2PX -0.29350 0.08911 0.01242 -0.09415 -0.31950 151 2PY -0.09445 -0.20686 0.16820 0.02570 -0.38111 152 2PZ 0.10987 0.05375 -0.22060 0.06939 -0.00958 153 3S 0.51559 0.34674 0.49817 0.50498 1.87016 154 3PX 0.68347 -0.25197 0.15922 0.02855 1.00572 155 3PY 0.32283 0.69171 -0.37798 -0.19787 1.04115 156 3PZ -0.05495 0.03164 0.45950 0.00718 0.60745 157 4XX -0.01614 -0.03512 0.03096 -0.02273 -0.01324 158 4YY 0.01974 0.03974 0.00459 -0.01106 0.05510 159 4ZZ 0.00311 0.00450 -0.03594 0.00305 -0.02733 160 4XY -0.00431 -0.00343 -0.03107 -0.02836 -0.01762 161 4XZ 0.00650 -0.00723 0.00862 -0.00055 0.00379 162 4YZ -0.00049 0.00722 0.00739 -0.00892 -0.00469 163 17 H 1S -0.00002 0.00001 -0.21828 -0.02972 -0.00012 164 2S 0.00000 0.00003 -0.28165 0.08685 -0.00013 165 18 H 1S -0.00005 0.00001 -0.08971 -0.09414 -0.00010 166 2S -0.00002 -0.00011 0.25220 0.00826 -0.00015 167 19 O 1S 0.00051 -0.00501 0.00675 0.00640 0.00806 168 2S 0.03357 0.00150 -0.02280 0.00869 0.04018 169 2PX -0.05319 0.09553 -0.18941 -0.02538 -0.09277 170 2PY 0.02606 -0.10264 0.10302 0.06967 0.07013 171 2PZ 0.00894 -0.10324 0.08246 0.01077 0.05265 172 3S -0.25046 0.25316 -0.28632 -0.18818 -0.61531 173 3PX 0.04279 -0.08567 0.22126 0.10749 0.24811 174 3PY -0.05045 0.05917 -0.07820 -0.06091 -0.16549 175 3PZ 0.06209 0.02944 0.03330 0.01418 0.09699 176 4XX 0.00801 0.02369 -0.04357 0.00606 0.00325 177 4YY 0.00428 -0.01189 -0.00049 -0.00065 -0.00727 178 4ZZ 0.00240 0.00408 0.00701 0.00571 0.02204 179 4XY 0.00576 0.00622 0.00990 0.00274 0.02693 180 4XZ -0.01986 0.01617 -0.02284 -0.00369 -0.03069 181 4YZ 0.02323 0.00583 0.00949 0.01711 0.04015 182 20 H 1S 0.02150 0.19709 0.07256 -0.18935 -0.00220 183 2S 0.05713 0.36661 -0.28893 0.09138 0.09177 184 21 H 1S -0.02150 -0.19720 0.07250 -0.18920 0.00234 185 2S -0.05708 -0.36648 -0.28895 0.09130 -0.09128 186 22 H 1S -0.02611 -0.17401 0.04812 -0.06167 0.07861 187 2S -0.06712 -0.13580 0.01432 -0.06299 -0.39557 188 23 H 1S 0.02599 0.17395 0.04816 -0.06179 -0.07828 189 2S 0.06706 0.13577 0.01430 -0.06306 0.39527 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 0.02618 0.00436 0.01006 -0.00283 0.00896 2 2S -0.18335 -0.00526 0.02157 -0.10189 -0.01145 3 2PX 0.00074 -0.01305 0.15218 -0.00868 0.07134 4 2PY -0.17730 -0.09397 -0.07414 0.41291 -0.05470 5 2PZ -0.20928 -0.05870 -0.01441 0.05200 0.00637 6 3S 0.63320 0.79541 -0.00586 1.19761 0.04418 7 3PX 0.01951 0.23336 -0.20551 0.73943 -0.09522 8 3PY 0.45048 0.33690 0.08873 -0.93604 0.05489 9 3PZ 0.28774 0.28190 -0.06446 0.46146 -0.08854 10 4XX 0.01613 0.00733 0.01225 -0.02297 -0.00286 11 4YY 0.00611 0.01559 -0.00027 0.05610 -0.00165 12 4ZZ -0.01695 -0.00734 -0.00271 -0.02453 0.01068 13 4XY -0.00135 0.03612 -0.02547 -0.00654 -0.01309 14 4XZ 0.03204 0.01444 0.02361 -0.01563 0.01706 15 4YZ 0.01577 0.05233 -0.02053 -0.01720 -0.01247 16 2 C 1S -0.00364 0.00521 -0.00442 0.01244 -0.00370 17 2S -0.17605 0.08619 0.11675 -0.14765 -0.00285 18 2PX -0.41660 -0.21914 0.10493 0.33540 0.05448 19 2PY 0.22961 -0.15285 -0.07227 -0.01598 -0.06698 20 2PZ -0.27845 -0.08743 -0.02433 -0.12360 -0.05951 21 3S 0.19699 -0.49446 0.00121 -0.06487 0.16006 22 3PX 0.69293 0.69063 -0.20521 -0.06772 -0.08304 23 3PY -0.47357 0.59487 -0.02778 0.41786 0.08681 24 3PZ 0.77534 0.49103 0.10532 0.62932 0.13099 25 4XX -0.02388 0.01241 -0.01283 -0.01375 0.00264 26 4YY -0.00046 -0.00932 0.02460 -0.03471 0.00566 27 4ZZ -0.00085 -0.00541 -0.00010 0.03135 -0.01210 28 4XY -0.03312 -0.02533 0.01055 0.02773 -0.00225 29 4XZ -0.03610 0.00902 0.00064 -0.01365 0.00640 30 4YZ -0.01606 -0.00938 0.00112 0.00120 0.00265 31 3 C 1S -0.01431 -0.00145 0.01023 -0.00337 0.00161 32 2S -0.07856 -0.05336 0.08782 0.05474 0.13053 33 2PX 0.00168 0.01245 -0.00145 0.02156 0.23559 34 2PY 0.08168 0.14045 -0.03167 0.15133 0.02861 35 2PZ -0.19757 -0.00084 0.01154 -0.04062 -0.00140 36 3S -0.21563 -0.31083 -0.24852 0.06140 -0.33477 37 3PX 0.06465 -0.22112 0.12724 -0.26927 -0.25738 38 3PY -0.03290 -0.42757 -0.07755 -0.90993 -0.14186 39 3PZ 0.71017 0.01481 -0.13315 0.16196 -0.05261 40 4XX -0.00972 0.01233 0.01485 0.03260 -0.00050 41 4YY -0.00113 -0.03899 -0.00646 0.01820 0.00513 42 4ZZ -0.02405 0.00856 0.01127 -0.04476 0.01805 43 4XY -0.00159 0.01418 -0.05776 0.01104 -0.06494 44 4XZ -0.01087 -0.03289 -0.02161 0.05816 -0.03926 45 4YZ 0.06527 -0.02028 0.01701 -0.00415 0.01556 46 4 C 1S -0.01430 -0.00144 0.01022 0.00339 0.00161 47 2S -0.07861 -0.05339 0.08783 -0.05455 0.13041 48 2PX 0.00132 0.01267 -0.00151 -0.02171 0.23519 49 2PY -0.08151 -0.14037 0.03148 0.15115 -0.02892 50 2PZ -0.19743 -0.00079 0.01144 0.04071 -0.00169 51 3S -0.21591 -0.31079 -0.24809 -0.06282 -0.33425 52 3PX 0.06581 -0.22203 0.12718 0.26954 -0.25604 53 3PY 0.03210 0.42745 0.07863 -0.90880 0.14337 54 3PZ 0.70959 0.01467 -0.13316 -0.16241 -0.05171 55 4XX -0.00972 0.01234 0.01485 -0.03257 -0.00054 56 4YY -0.00112 -0.03900 -0.00643 -0.01825 0.00517 57 4ZZ -0.02406 0.00857 0.01124 0.04479 0.01804 58 4XY 0.00158 -0.01418 0.05776 0.01105 0.06494 59 4XZ -0.01092 -0.03286 -0.02157 -0.05818 -0.03927 60 4YZ -0.06528 0.02027 -0.01703 -0.00414 -0.01560 61 5 C 1S -0.00366 0.00522 -0.00440 -0.01244 -0.00369 62 2S -0.17622 0.08623 0.11659 0.14786 -0.00306 63 2PX -0.41614 -0.21891 0.10516 -0.33524 0.05455 64 2PY -0.22943 0.15289 0.07240 -0.01547 0.06710 65 2PZ -0.27860 -0.08719 -0.02457 0.12331 -0.05988 66 3S 0.19708 -0.49507 0.00091 0.06453 0.16051 67 3PX 0.69181 0.69075 -0.20522 0.06816 -0.08323 68 3PY 0.47339 -0.59515 0.02680 0.41676 -0.08747 69 3PZ 0.77554 0.49046 0.10609 -0.62769 0.13250 70 4XX -0.02386 0.01242 -0.01284 0.01379 0.00265 71 4YY -0.00045 -0.00932 0.02459 0.03468 0.00566 72 4ZZ -0.00091 -0.00541 -0.00008 -0.03136 -0.01211 73 4XY 0.03317 0.02528 -0.01054 0.02774 0.00230 74 4XZ -0.03610 0.00903 0.00062 0.01367 0.00640 75 4YZ 0.01606 0.00937 -0.00111 0.00123 -0.00262 76 6 C 1S 0.02613 0.00436 0.01006 0.00283 0.00895 77 2S -0.18308 -0.00525 0.02149 0.10202 -0.01142 78 2PX 0.00018 -0.01294 0.15212 0.00882 0.07114 79 2PY 0.17764 0.09363 0.07390 0.41302 0.05484 80 2PZ -0.20889 -0.05863 -0.01439 -0.05192 0.00640 81 3S 0.63209 0.79569 -0.00448 -1.19645 0.04479 82 3PX 0.02086 0.23350 -0.20459 -0.73913 -0.09419 83 3PY -0.45096 -0.33660 -0.08796 -0.93629 -0.05503 84 3PZ 0.28682 0.28229 -0.06396 -0.46142 -0.08851 85 4XX 0.01614 0.00729 0.01225 0.02296 -0.00284 86 4YY 0.00607 0.01566 -0.00025 -0.05607 -0.00167 87 4ZZ -0.01692 -0.00736 -0.00271 0.02454 0.01070 88 4XY 0.00136 -0.03610 0.02547 -0.00661 0.01308 89 4XZ 0.03201 0.01441 0.02363 0.01563 0.01707 90 4YZ -0.01577 -0.05231 0.02053 -0.01730 0.01245 91 7 H 1S 0.18831 -0.11643 0.15088 0.07352 0.09847 92 2S -0.12504 0.15290 -0.24639 0.49980 -0.18198 93 8 H 1S -0.07064 -0.02065 0.08793 0.06264 0.03393 94 2S 0.19749 -0.22025 -0.03792 -0.13065 -0.09548 95 9 H 1S -0.13401 -0.00819 -0.02905 0.24528 -0.17431 96 2S -0.19832 0.24903 0.11649 0.14626 0.40924 97 10 H 1S -0.13396 -0.00801 -0.02889 -0.24509 -0.17431 98 2S -0.19868 0.24943 0.11653 -0.14612 0.40865 99 11 H 1S -0.07054 -0.02051 0.08798 -0.06260 0.03394 100 2S 0.19745 -0.22027 -0.03835 0.13010 -0.09583 101 12 H 1S 0.18821 -0.11636 0.15093 -0.07374 0.09844 102 2S -0.12490 0.15317 -0.24593 -0.49958 -0.18176 103 13 C 1S 0.00559 0.01482 0.00122 -0.00874 -0.00526 104 2S -0.00617 -0.01724 0.27395 0.08449 0.14435 105 2PX 0.28122 0.13349 0.14391 -0.02134 0.03745 106 2PY -0.05747 0.10272 -0.08550 -0.32559 0.01264 107 2PZ -0.11518 -0.16834 0.21068 0.30754 0.05147 108 3S -0.21232 -0.44552 -0.11533 -0.86616 -0.18056 109 3PX -0.33124 -0.19955 -0.32601 -0.36692 -0.11963 110 3PY 0.05478 -0.51316 0.27693 1.44340 -0.02873 111 3PZ -0.00441 0.29689 -0.38674 -0.97816 -0.01472 112 4XX 0.00320 0.00245 -0.01606 0.01516 0.01445 113 4YY 0.00794 -0.02456 0.04110 -0.05819 0.01680 114 4ZZ -0.02583 0.03922 -0.00115 0.00839 -0.02627 115 4XY -0.01245 -0.03729 0.04760 -0.00417 0.00168 116 4XZ -0.03422 0.04485 0.02649 0.01007 0.01017 117 4YZ 0.04436 -0.01523 0.05744 -0.00393 0.01680 118 14 O 1S -0.00229 -0.00474 0.01091 0.00258 0.00368 119 2S 0.03321 -0.20405 -0.12844 0.00826 -0.03425 120 2PX 0.11628 -0.16468 -0.11464 -0.09445 0.05639 121 2PY -0.05486 0.07712 -0.16280 -0.01585 -0.03950 122 2PZ 0.04609 -0.10428 -0.05927 0.13493 -0.09397 123 3S 0.08810 0.47818 0.21380 0.13081 0.07253 124 3PX -0.14098 -0.04397 0.13160 0.04625 -0.14502 125 3PY 0.01043 -0.00142 0.14889 -0.08605 0.04979 126 3PZ -0.08626 0.10602 0.00520 -0.07978 0.17218 127 4XX 0.02036 -0.04575 0.02148 0.00031 -0.03046 128 4YY -0.00069 -0.05654 -0.09101 0.03290 -0.02238 129 4ZZ 0.01121 -0.08587 -0.03367 -0.01162 0.03294 130 4XY -0.01724 0.00914 -0.03646 0.03031 0.03029 131 4XZ 0.02295 -0.01173 0.05256 0.01334 0.01926 132 4YZ 0.00367 0.03769 -0.00779 0.00412 -0.03299 133 15 C 1S 0.01846 -0.04871 -0.04322 -0.00002 -0.00669 134 2S 0.14077 -0.18597 0.30349 0.00008 0.08018 135 2PX -0.00283 -0.23807 0.30688 0.00007 -0.52058 136 2PY 0.00001 -0.00003 0.00002 -0.03512 -0.00007 137 2PZ -0.03257 0.29845 -0.13188 -0.00002 0.54411 138 3S -0.29019 0.54552 -0.33298 -0.00008 -0.08124 139 3PX -0.17797 1.11618 -0.90255 -0.00008 0.97894 140 3PY 0.00009 0.00007 0.00000 0.07328 0.00018 141 3PZ -0.18596 -0.59063 0.07617 -0.00001 -1.15785 142 4XX -0.00502 -0.09614 -0.12722 -0.00006 0.12256 143 4YY 0.04204 -0.04459 0.11339 0.00002 0.02799 144 4ZZ 0.01958 0.04281 0.01560 0.00003 -0.14222 145 4XY 0.00002 0.00000 0.00000 0.00191 0.00001 146 4XZ -0.01850 0.03492 -0.02842 0.00000 -0.01310 147 4YZ 0.00001 -0.00002 0.00002 -0.00208 0.00003 148 16 C 1S 0.00558 0.01482 0.00121 0.00873 -0.00526 149 2S -0.00688 -0.01717 0.27398 -0.08443 0.14424 150 2PX 0.28067 0.13336 0.14394 0.02135 0.03757 151 2PY 0.05664 -0.10272 0.08570 -0.32554 -0.01259 152 2PZ -0.11529 -0.16818 0.21080 -0.30742 0.05119 153 3S -0.20831 -0.44542 -0.11582 0.86621 -0.18014 154 3PX -0.32931 -0.19919 -0.32637 0.36663 -0.11983 155 3PY -0.05224 0.51312 -0.27772 1.44322 0.02890 156 3PZ -0.00288 0.29671 -0.38714 0.97817 -0.01374 157 4XX 0.00317 0.00246 -0.01606 -0.01523 0.01443 158 4YY 0.00809 -0.02456 0.04108 0.05818 0.01680 159 4ZZ -0.02590 0.03922 -0.00116 -0.00833 -0.02626 160 4XY 0.01242 0.03728 -0.04760 -0.00416 -0.00169 161 4XZ -0.03422 0.04487 0.02649 -0.01004 0.01017 162 4YZ -0.04437 0.01521 -0.05743 -0.00395 -0.01678 163 17 H 1S 0.10116 -0.57527 -0.60240 -0.00029 0.47700 164 2S 0.15675 -0.46903 1.17530 0.00033 -1.23453 165 18 H 1S 0.17108 -0.09012 -0.07284 0.00002 -0.56964 166 2S 0.10701 0.21433 -0.18148 -0.00009 1.38319 167 19 O 1S -0.00228 -0.00473 0.01091 -0.00258 0.00369 168 2S 0.03334 -0.20397 -0.12849 -0.00836 -0.03433 169 2PX 0.11611 -0.16479 -0.11464 0.09440 0.05648 170 2PY 0.05495 -0.07713 0.16285 -0.01580 0.03957 171 2PZ 0.04619 -0.10420 -0.05922 -0.13502 -0.09407 172 3S 0.08680 0.47796 0.21397 -0.13050 0.07246 173 3PX -0.14050 -0.04385 0.13161 -0.04626 -0.14496 174 3PY -0.01074 0.00140 -0.14887 -0.08605 -0.04991 175 3PZ -0.08609 0.10602 0.00515 0.07982 0.17221 176 4XX 0.02039 -0.04572 0.02147 -0.00027 -0.03049 177 4YY -0.00071 -0.05650 -0.09100 -0.03295 -0.02241 178 4ZZ 0.01127 -0.08585 -0.03369 0.01156 0.03292 179 4XY 0.01729 -0.00915 0.03644 0.03033 -0.03028 180 4XZ 0.02290 -0.01172 0.05257 -0.01331 0.01922 181 4YZ -0.00359 -0.03768 0.00777 0.00411 0.03297 182 20 H 1S -0.04961 0.00844 0.28222 0.21568 0.26243 183 2S -0.31906 -0.06026 -0.05661 -0.23105 -0.26236 184 21 H 1S -0.04970 0.00853 0.28234 -0.21539 0.26243 185 2S -0.31919 -0.06021 -0.05685 0.23128 -0.26268 186 22 H 1S -0.17328 0.27522 -0.17708 0.01101 -0.05901 187 2S 0.20525 0.17702 -0.06788 -0.86379 0.13305 188 23 H 1S -0.17342 0.27519 -0.17705 -0.01098 -0.05896 189 2S 0.20630 0.17692 -0.06833 0.86367 0.13345 91 92 93 94 95 V V V V V Eigenvalues -- 0.82847 0.84211 0.85443 0.86450 0.88061 1 1 C 1S 0.01250 0.00743 0.02295 -0.00877 -0.01513 2 2S -0.12975 -0.05242 -0.05664 0.18457 0.32588 3 2PX 0.04664 -0.08921 0.20724 -0.12040 -0.21599 4 2PY 0.15777 0.05245 -0.41087 -0.00787 0.21226 5 2PZ -0.15137 -0.08413 0.50875 -0.14666 -0.31976 6 3S 0.51882 -0.45056 -1.39791 -0.44341 -0.68990 7 3PX -0.14463 0.06098 -1.00453 0.16103 0.50324 8 3PY -0.33232 -0.38387 1.91112 -0.43819 -0.43536 9 3PZ 0.87794 0.24539 -1.78114 0.55067 0.66113 10 4XX -0.01217 0.01699 0.00078 0.01960 0.00477 11 4YY 0.01566 -0.02272 -0.07392 0.00900 0.02090 12 4ZZ 0.00371 -0.00332 0.02507 0.00447 0.02015 13 4XY -0.00720 0.01073 -0.02290 0.00054 0.06034 14 4XZ 0.01640 0.01267 0.02857 0.00402 -0.02712 15 4YZ -0.01600 -0.04156 -0.02387 0.00123 0.04444 16 2 C 1S -0.00195 0.00722 0.00749 -0.00085 0.00291 17 2S 0.10202 0.10684 -0.08920 0.16353 0.10409 18 2PX -0.12940 -0.06485 0.00978 -0.08900 0.07352 19 2PY -0.17583 0.05009 -0.00851 -0.09074 -0.05742 20 2PZ 0.30204 0.03936 -0.01405 0.21702 -0.02440 21 3S -1.31994 -0.35556 0.73769 -0.80228 -0.42127 22 3PX 0.67173 -0.13440 -0.15286 -0.31724 0.01931 23 3PY 0.65150 -0.02261 -0.58086 0.31005 0.33036 24 3PZ -1.45809 -0.65582 0.10349 -0.98676 -0.13602 25 4XX -0.02343 -0.03791 -0.02421 -0.01859 -0.00874 26 4YY 0.02315 0.00522 0.06657 0.02636 0.01667 27 4ZZ -0.02706 0.05429 -0.03688 0.00014 -0.00776 28 4XY 0.02865 0.01261 0.03636 0.01204 -0.01118 29 4XZ -0.02592 -0.01194 0.00299 -0.00971 0.01888 30 4YZ 0.00489 0.00139 0.02490 -0.01340 -0.01343 31 3 C 1S 0.00423 -0.02741 -0.01106 -0.00277 0.00149 32 2S -0.03675 0.15838 0.09051 0.01932 -0.21344 33 2PX 0.44409 0.14802 0.10360 -0.52818 0.14467 34 2PY -0.27025 0.00842 -0.08191 -0.16918 -0.08285 35 2PZ 0.19329 -0.03830 0.05199 0.28769 -0.07675 36 3S 0.28399 0.53427 -0.55436 0.23661 0.68672 37 3PX -1.76145 -0.16832 -0.19832 1.46100 -0.22988 38 3PY 1.12552 0.41232 0.23538 0.90731 0.27330 39 3PZ -1.14769 0.00200 -0.22338 -1.25966 0.15436 40 4XX 0.01212 -0.05665 -0.00739 0.00072 -0.03144 41 4YY -0.02303 0.07265 -0.00058 -0.01251 -0.01315 42 4ZZ 0.01968 0.00385 -0.00272 0.01608 0.02265 43 4XY -0.00126 -0.00803 -0.00340 0.01746 -0.00908 44 4XZ 0.03416 0.05677 -0.02079 0.05666 0.00052 45 4YZ -0.00517 -0.03142 0.00385 -0.00884 0.02757 46 4 C 1S -0.00422 -0.02740 0.01106 0.00279 0.00149 47 2S 0.03648 0.15846 -0.09063 -0.01917 -0.21338 48 2PX -0.44442 0.14802 -0.10354 0.52773 0.14525 49 2PY -0.27030 -0.00861 -0.08190 -0.16904 0.08271 50 2PZ -0.19325 -0.03858 -0.05202 -0.28772 -0.07691 51 3S -0.28382 0.53358 0.55461 -0.23760 0.68648 52 3PX 1.76180 -0.16771 0.19818 -1.46033 -0.23124 53 3PY 1.12583 -0.41153 0.23534 0.90694 -0.27248 54 3PZ 1.14753 0.00334 0.22340 1.26027 0.15497 55 4XX -0.01209 -0.05664 0.00740 -0.00067 -0.03147 56 4YY 0.02295 0.07265 0.00056 0.01254 -0.01312 57 4ZZ -0.01968 0.00383 0.00270 -0.01611 0.02265 58 4XY -0.00130 0.00802 -0.00340 0.01740 0.00911 59 4XZ -0.03415 0.05671 0.02078 -0.05666 0.00047 60 4YZ -0.00513 0.03144 0.00385 -0.00880 -0.02758 61 5 C 1S 0.00196 0.00720 -0.00750 0.00083 0.00289 62 2S -0.10215 0.10685 0.08910 -0.16349 0.10432 63 2PX 0.12917 -0.06498 -0.00977 0.08900 0.07354 64 2PY -0.17529 -0.05041 -0.00846 -0.09118 0.05718 65 2PZ -0.30213 0.03903 0.01406 -0.21696 -0.02461 66 3S 1.31958 -0.35442 -0.73751 0.80304 -0.42231 67 3PX -0.67035 -0.13459 0.15278 0.31719 0.01985 68 3PY 0.64947 0.02393 -0.58108 0.31163 -0.33002 69 3PZ 1.45884 -0.65437 -0.10366 0.98683 -0.13515 70 4XX 0.02345 -0.03785 0.02422 0.01863 -0.00870 71 4YY -0.02319 0.00517 -0.06660 -0.02641 0.01660 72 4ZZ 0.02702 0.05431 0.03689 -0.00012 -0.00773 73 4XY 0.02866 -0.01254 0.03633 0.01202 0.01122 74 4XZ 0.02592 -0.01191 -0.00299 0.00973 0.01889 75 4YZ 0.00490 -0.00140 0.02487 -0.01347 0.01345 76 6 C 1S -0.01252 0.00742 -0.02295 0.00879 -0.01514 77 2S 0.12984 -0.05234 0.05659 -0.18440 0.32584 78 2PX -0.04680 -0.08927 -0.20736 0.12078 -0.21627 79 2PY 0.15766 -0.05211 -0.41075 -0.00770 -0.21218 80 2PZ 0.15123 -0.08409 -0.50878 0.14716 -0.32001 81 3S -0.51780 -0.45138 1.39796 0.44315 -0.68937 82 3PX 0.14545 0.06090 1.00496 -0.16226 0.50439 83 3PY -0.33222 0.38289 1.91068 -0.43870 0.43489 84 3PZ -0.87716 0.24453 1.78139 -0.55197 0.66200 85 4XX 0.01216 0.01700 -0.00080 -0.01958 0.00475 86 4YY -0.01565 -0.02276 0.07392 -0.00895 0.02094 87 4ZZ -0.00368 -0.00331 -0.02506 -0.00453 0.02014 88 4XY -0.00729 -0.01076 -0.02289 0.00063 -0.06036 89 4XZ -0.01642 0.01266 -0.02858 -0.00399 -0.02715 90 4YZ -0.01609 0.04152 -0.02384 0.00128 -0.04446 91 7 H 1S 0.02178 0.18752 0.33066 -0.12643 -0.30959 92 2S 0.21041 0.14434 -1.68734 0.54958 1.02836 93 8 H 1S 0.12862 -0.00635 0.09358 0.03775 0.09076 94 2S -0.41223 0.07159 -0.04038 -0.16052 -0.21924 95 9 H 1S 0.04830 -0.26717 -0.07577 0.13762 -0.10309 96 2S 0.75538 -0.00784 0.29972 -0.96016 0.01204 97 10 H 1S -0.04810 -0.26731 0.07572 -0.13715 -0.10342 98 2S -0.75568 -0.00807 -0.29966 0.95981 0.01332 99 11 H 1S -0.12852 -0.00666 -0.09361 -0.03806 0.09051 100 2S 0.41115 0.07244 0.04021 0.16181 -0.21854 101 12 H 1S -0.02219 0.18746 -0.33068 0.12672 -0.30971 102 2S -0.20949 0.14390 1.68736 -0.55090 1.02900 103 13 C 1S 0.00555 0.01307 0.00609 0.01816 -0.01109 104 2S -0.01077 -0.08961 -0.07054 -0.16374 0.50895 105 2PX -0.16020 0.04947 0.02514 0.00046 -0.05705 106 2PY 0.21290 -0.00319 -0.25668 -0.16923 0.25847 107 2PZ 0.22356 0.06626 0.29155 0.28220 -0.26233 108 3S 0.49643 0.22686 -0.51302 -0.15132 -1.11560 109 3PX 0.46922 -0.01254 -0.26967 -0.03934 0.20847 110 3PY -0.67159 0.03898 1.14503 0.74903 -0.63961 111 3PZ -0.70247 -0.11085 -1.05193 -0.96393 0.66061 112 4XX 0.00817 0.04416 -0.01360 -0.03289 0.03620 113 4YY 0.03559 -0.02121 -0.04282 -0.02816 0.02241 114 4ZZ -0.02527 0.01325 0.01393 0.03294 0.01207 115 4XY -0.00255 0.00435 -0.00560 -0.00749 0.06122 116 4XZ -0.00363 0.06527 0.00795 0.00120 -0.00483 117 4YZ 0.01168 -0.03943 -0.01751 -0.02243 0.06396 118 14 O 1S -0.00237 0.00789 -0.00258 -0.00554 0.01245 119 2S 0.06285 -0.25676 -0.07321 -0.04115 0.02687 120 2PX -0.06070 -0.11462 0.02357 0.03452 -0.04242 121 2PY 0.04029 -0.16496 -0.01466 0.06051 -0.12145 122 2PZ 0.06631 -0.17193 -0.01510 -0.05703 0.02555 123 3S -0.00301 0.07252 0.34702 0.21153 -0.26360 124 3PX -0.04199 0.21798 -0.09157 -0.12902 0.10918 125 3PY -0.00254 0.33380 -0.07978 -0.14773 0.35103 126 3PZ 0.01071 0.08139 0.06611 0.10989 -0.06773 127 4XX 0.02117 -0.09697 -0.02555 0.00555 0.02677 128 4YY 0.00195 -0.08519 -0.00190 -0.01517 -0.03012 129 4ZZ 0.02917 -0.06048 -0.03116 -0.02669 0.02921 130 4XY -0.00182 0.04627 0.02085 0.02517 -0.00423 131 4XZ 0.01733 -0.02514 -0.00443 -0.02153 0.01475 132 4YZ -0.00593 0.01656 0.00430 -0.00001 -0.01256 133 15 C 1S 0.00000 -0.03048 0.00000 0.00000 0.01446 134 2S 0.00013 -0.59696 0.00009 0.00014 -0.09439 135 2PX 0.00015 0.17545 0.00010 -0.00012 -0.01069 136 2PY 0.01727 0.00003 0.01734 -0.05022 -0.00004 137 2PZ -0.00010 -0.18820 -0.00003 0.00014 -0.08004 138 3S -0.00042 1.37956 -0.00026 -0.00033 0.36098 139 3PX 0.00004 -0.66896 -0.00017 0.00037 -0.14461 140 3PY -0.02806 -0.00009 -0.07675 0.08532 0.00014 141 3PZ 0.00039 0.38108 0.00020 -0.00031 -0.06948 142 4XX -0.00007 0.03394 0.00000 -0.00001 0.00608 143 4YY -0.00004 -0.03073 -0.00001 0.00001 0.02722 144 4ZZ 0.00011 -0.08760 0.00002 0.00000 -0.00014 145 4XY -0.00196 0.00000 -0.00514 0.02282 0.00002 146 4XZ 0.00003 0.00033 0.00001 -0.00001 -0.04137 147 4YZ 0.01319 0.00002 0.00650 0.01570 0.00000 148 16 C 1S -0.00555 0.01307 -0.00609 -0.01816 -0.01110 149 2S 0.01052 -0.08951 0.07034 0.16396 0.50892 150 2PX 0.16007 0.04961 -0.02524 -0.00038 -0.05707 151 2PY 0.21291 0.00316 -0.25657 -0.16925 -0.25844 152 2PZ -0.22364 0.06590 -0.29153 -0.28243 -0.26219 153 3S -0.49655 0.22652 0.51346 0.15068 -1.11520 154 3PX -0.46905 -0.01287 0.26983 0.03930 0.20853 155 3PY -0.67143 -0.03881 1.14464 0.74907 0.63957 156 3PZ 0.70238 -0.10981 1.05206 0.96437 0.66034 157 4XX -0.00823 0.04416 0.01359 0.03292 0.03620 158 4YY -0.03562 -0.02123 0.04281 0.02818 0.02243 159 4ZZ 0.02532 0.01328 -0.01394 -0.03297 0.01204 160 4XY -0.00247 -0.00437 -0.00558 -0.00750 -0.06122 161 4XZ 0.00360 0.06527 -0.00796 -0.00126 -0.00483 162 4YZ 0.01166 0.03942 -0.01747 -0.02246 -0.06395 163 17 H 1S -0.00031 0.03581 -0.00006 -0.00002 0.07718 164 2S 0.00047 -0.04227 0.00025 -0.00017 -0.07142 165 18 H 1S 0.00029 -0.26634 0.00001 -0.00004 0.15205 166 2S -0.00046 -0.39451 -0.00011 0.00034 -0.15710 167 19 O 1S 0.00235 0.00789 0.00258 0.00554 0.01246 168 2S -0.06270 -0.25678 0.07327 0.04129 0.02686 169 2PX 0.06075 -0.11459 -0.02359 -0.03453 -0.04237 170 2PY 0.03997 0.16506 -0.01477 0.06037 0.12149 171 2PZ -0.06617 -0.17192 0.01514 0.05714 0.02551 172 3S 0.00322 0.07242 -0.34710 -0.21157 -0.26350 173 3PX 0.04183 0.21801 0.09165 0.12893 0.10916 174 3PY -0.00204 -0.33392 -0.07959 -0.14753 -0.35110 175 3PZ -0.01085 0.08121 -0.06615 -0.10996 -0.06767 176 4XX -0.02109 -0.09697 0.02556 -0.00551 0.02676 177 4YY -0.00186 -0.08518 0.00194 0.01519 -0.03011 178 4ZZ -0.02921 -0.06050 0.03117 0.02675 0.02922 179 4XY -0.00177 -0.04625 0.02086 0.02518 0.00423 180 4XZ -0.01736 -0.02516 0.00442 0.02156 0.01476 181 4YZ -0.00597 -0.01658 0.00429 0.00000 0.01255 182 20 H 1S -0.04178 -0.34969 -0.07770 0.18897 0.05106 183 2S 0.37848 0.12303 0.04864 -1.11114 -0.40974 184 21 H 1S 0.04177 -0.34989 0.07776 -0.18915 0.05077 185 2S -0.37835 0.12340 -0.04883 1.11176 -0.40883 186 22 H 1S -0.08084 0.10603 0.17418 0.29640 -0.25889 187 2S -0.10135 -0.29810 -1.03435 -1.00987 1.13673 188 23 H 1S 0.08100 0.10596 -0.17412 -0.29658 -0.25882 189 2S 0.10131 -0.29741 1.03404 1.01046 1.13647 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 -0.01248 0.00094 -0.00704 -0.00839 -0.00500 2 2S -0.09854 -0.10431 0.11902 0.22262 -0.10253 3 2PX -0.21699 -0.18995 -0.33473 -0.08960 0.06204 4 2PY 0.10873 -0.10739 -0.16568 0.19095 -0.06369 5 2PZ -0.25399 -0.20716 -0.27889 -0.25474 -0.00489 6 3S 0.08879 1.06513 -0.04546 -0.90068 0.46176 7 3PX 0.56125 1.31055 1.38473 0.31201 0.05057 8 3PY -0.29181 0.61508 1.08391 -0.73553 0.14777 9 3PZ 0.61622 1.24347 1.13791 0.67328 0.08954 10 4XX -0.00110 0.02075 0.02332 0.04777 0.01912 11 4YY -0.02534 -0.02181 -0.01028 -0.00917 -0.01483 12 4ZZ 0.02222 0.02119 0.01912 -0.00777 -0.02186 13 4XY 0.03489 -0.00740 0.03029 0.00217 -0.02178 14 4XZ -0.02852 0.03786 0.00101 -0.00086 0.00504 15 4YZ 0.03863 -0.00313 0.02884 -0.00364 0.01501 16 2 C 1S 0.00171 0.02139 -0.02360 0.01639 0.00614 17 2S -0.16755 -0.37641 0.21029 -0.23062 -0.11120 18 2PX -0.05277 -0.12862 -0.11752 -0.05368 0.01981 19 2PY -0.19813 -0.62106 0.14194 -0.23605 -0.26348 20 2PZ -0.04129 -0.12088 -0.21384 0.06374 -0.02683 21 3S -0.05869 -0.01059 -1.22511 0.36658 0.31416 22 3PX 0.16301 0.88456 0.94876 -0.23004 0.03686 23 3PY 0.67987 1.87456 -0.13581 0.79220 0.44593 24 3PZ 0.04143 0.93896 1.13533 -0.41078 0.33639 25 4XX -0.01935 -0.06480 0.01693 -0.05982 -0.03330 26 4YY 0.00784 0.07720 -0.04749 0.01932 0.04421 27 4ZZ -0.02806 -0.06096 0.02154 0.01070 -0.02963 28 4XY -0.00756 -0.03117 -0.04842 0.01337 -0.00576 29 4XZ -0.02241 -0.02838 -0.00815 -0.03226 -0.00732 30 4YZ -0.03188 -0.05475 -0.02210 0.00044 -0.01768 31 3 C 1S -0.00450 0.00096 -0.00613 -0.00794 0.01277 32 2S -0.25179 -0.11461 0.07346 0.11594 0.04810 33 2PX 0.16288 -0.01426 0.31266 -0.45792 -0.26029 34 2PY -0.05600 0.04101 0.17684 -0.02623 -0.05503 35 2PZ -0.20726 -0.24406 -0.06666 0.10699 -0.08731 36 3S 0.65292 0.53415 -0.30378 0.28211 -0.28334 37 3PX -0.12313 0.05310 -0.62385 0.85922 0.44132 38 3PY 0.10723 -0.60685 -0.91152 0.16114 -0.14835 39 3PZ 0.22274 0.89866 0.51346 -0.35072 0.06883 40 4XX -0.02779 -0.01928 -0.02328 0.00421 0.02412 41 4YY -0.04036 -0.00746 0.01677 0.03688 -0.02475 42 4ZZ 0.01927 0.02132 0.00678 -0.01725 0.01584 43 4XY -0.06986 0.01020 -0.01411 0.01027 0.01562 44 4XZ -0.01380 0.00979 -0.03613 0.07606 0.01082 45 4YZ 0.05806 0.04984 0.00003 0.00326 0.02985 46 4 C 1S -0.00448 -0.00110 0.00612 -0.00793 0.01276 47 2S -0.25545 0.10584 -0.07406 0.11588 0.04857 48 2PX 0.16362 0.02001 -0.31196 -0.45795 -0.26009 49 2PY 0.05422 0.04293 0.17702 0.02630 0.05491 50 2PZ -0.21594 0.23670 0.06631 0.10726 -0.08719 51 3S 0.67037 -0.51153 0.30574 0.28230 -0.28406 52 3PX -0.12485 -0.05743 0.62297 0.85879 0.44109 53 3PY -0.08392 -0.60994 -0.91194 -0.16144 0.14833 54 3PZ 0.25485 -0.89035 -0.51318 -0.35196 0.06868 55 4XX -0.02850 0.01832 0.02320 0.00430 0.02407 56 4YY -0.04052 0.00601 -0.01684 0.03687 -0.02471 57 4ZZ 0.01997 -0.02059 -0.00672 -0.01732 0.01592 58 4XY 0.06951 0.01265 -0.01396 -0.01031 -0.01561 59 4XZ -0.01355 -0.01031 0.03608 0.07608 0.01081 60 4YZ -0.05978 0.04776 -0.00009 -0.00322 -0.02986 61 5 C 1S 0.00242 -0.02133 0.02360 0.01638 0.00616 62 2S -0.18034 0.37037 -0.21052 -0.23060 -0.11141 63 2PX -0.05729 0.12670 0.11764 -0.05373 0.02011 64 2PY 0.21928 -0.61396 0.14231 0.23603 0.26376 65 2PZ -0.04597 0.11920 0.21376 0.06390 -0.02674 66 3S -0.06110 0.00879 1.22484 0.36640 0.31519 67 3PX 0.19559 -0.87828 -0.94879 -0.23012 0.03597 68 3PY -0.74445 1.85078 -0.13681 -0.79215 -0.44667 69 3PZ 0.07615 -0.93614 -1.13552 -0.41162 0.33584 70 4XX -0.02154 0.06410 -0.01700 -0.05984 -0.03333 71 4YY 0.01039 -0.07683 0.04755 0.01930 0.04422 72 4ZZ -0.03012 0.05989 -0.02161 0.01072 -0.02961 73 4XY 0.00873 -0.03092 -0.04838 -0.01337 0.00582 74 4XZ -0.02340 0.02758 0.00812 -0.03227 -0.00727 75 4YZ 0.03379 -0.05364 -0.02202 -0.00047 0.01770 76 6 C 1S -0.01243 -0.00137 0.00701 -0.00839 -0.00500 77 2S -0.10233 0.10062 -0.11910 0.22247 -0.10240 78 2PX -0.22390 0.18242 0.33413 -0.08947 0.06201 79 2PY -0.10465 -0.11102 -0.16609 -0.19092 0.06338 80 2PZ -0.26130 0.19831 0.27819 -0.25472 -0.00495 81 3S 0.12704 -1.06096 0.04508 -0.90035 0.46192 82 3PX 0.60859 -1.29048 -1.38321 0.31142 0.05053 83 3PY 0.26821 0.62484 1.08517 0.73561 -0.14615 84 3PZ 0.66050 -1.22165 -1.13629 0.67313 0.08955 85 4XX -0.00040 -0.02078 -0.02333 0.04777 0.01913 86 4YY -0.02609 0.02091 0.01021 -0.00918 -0.01480 87 4ZZ 0.02296 -0.02042 -0.01904 -0.00779 -0.02188 88 4XY -0.03467 -0.00854 0.03019 -0.00218 0.02179 89 4XZ -0.02720 -0.03882 -0.00108 -0.00086 0.00502 90 4YZ -0.03854 -0.00445 0.02877 0.00364 -0.01500 91 7 H 1S -0.17020 -0.02389 -0.15812 0.01104 0.02040 92 2S 0.71652 0.48519 0.73659 0.78941 -0.07456 93 8 H 1S 0.12368 0.40224 -0.18809 0.23017 0.27812 94 2S -0.55101 -1.61517 0.50135 -0.77214 -0.58605 95 9 H 1S -0.21744 -0.05000 -0.24319 0.08344 0.20446 96 2S 0.08934 -0.21086 0.71007 -0.71844 -0.26897 97 10 H 1S -0.21962 0.04252 0.24255 0.08374 0.20401 98 2S 0.08508 0.21381 -0.70960 -0.71853 -0.26819 99 11 H 1S 0.13722 -0.39768 0.18843 0.23009 0.27835 100 2S -0.60585 1.59536 -0.50253 -0.77210 -0.58674 101 12 H 1S -0.17097 0.01803 0.15759 0.01109 0.02024 102 2S 0.73347 -0.46064 -0.73471 0.78903 -0.07391 103 13 C 1S 0.00228 -0.00498 0.00751 0.00498 0.00012 104 2S -0.38436 -0.08941 -0.25023 -0.04360 -0.02179 105 2PX -0.07992 0.03041 -0.00797 0.06993 0.09926 106 2PY -0.17522 -0.06947 -0.09114 -0.09683 -0.06929 107 2PZ 0.28380 -0.01781 0.37537 -0.00121 0.07431 108 3S 0.94295 0.42147 0.66200 0.07887 0.08812 109 3PX 0.03151 -0.06326 0.00015 -0.17656 -0.23618 110 3PY 0.45778 -0.17368 0.25457 0.22501 0.08133 111 3PZ -0.50672 0.11418 -1.04774 -0.11508 -0.15172 112 4XX -0.02967 -0.00511 -0.03131 -0.00712 -0.01460 113 4YY -0.01568 -0.00237 -0.01786 0.01742 0.00753 114 4ZZ -0.01388 0.00073 0.01029 -0.02249 0.00088 115 4XY -0.04663 -0.00689 -0.00209 -0.00816 -0.01544 116 4XZ 0.02037 0.00539 0.01023 -0.02418 0.03470 117 4YZ -0.06435 0.00379 -0.02110 0.02715 0.00866 118 14 O 1S -0.00684 0.00082 -0.00074 -0.00209 -0.00073 119 2S 0.00262 -0.05290 -0.03021 0.01550 -0.14967 120 2PX 0.03431 -0.00967 0.04327 0.03442 0.00860 121 2PY 0.08676 -0.04918 0.00103 0.07884 -0.21768 122 2PZ -0.00102 0.01226 -0.07994 0.00861 0.02341 123 3S 0.08995 0.04046 0.20290 0.10012 0.12744 124 3PX 0.00521 0.02936 -0.07812 -0.10974 -0.15105 125 3PY -0.23287 0.08555 -0.01145 -0.19049 0.31794 126 3PZ 0.02360 -0.02348 0.18133 0.02407 -0.09464 127 4XX -0.01615 -0.01004 -0.01006 0.01977 -0.04620 128 4YY 0.04411 -0.00943 0.00339 -0.01388 -0.03787 129 4ZZ -0.02294 -0.02976 -0.01244 0.02527 -0.07804 130 4XY 0.00034 -0.00688 0.01240 -0.01127 0.02717 131 4XZ -0.01908 -0.00962 -0.00566 0.01333 -0.01234 132 4YZ 0.01453 0.00531 0.00060 -0.02858 0.02711 133 15 C 1S -0.00137 -0.00002 0.00001 -0.01681 0.00577 134 2S 0.11502 0.00199 -0.00003 0.34435 -0.95893 135 2PX 0.15848 0.00263 0.00020 -0.02500 -0.45038 136 2PY -0.00033 0.01366 0.05815 0.00000 -0.00002 137 2PZ -0.09564 -0.00161 -0.00022 0.31330 -0.25013 138 3S -0.37852 -0.00648 0.00004 -0.90175 2.60471 139 3PX -0.29844 -0.00506 -0.00058 0.21151 0.67200 140 3PY 0.00016 0.00323 -0.18115 -0.00008 0.00013 141 3PZ 0.50207 0.00846 0.00062 -0.63958 0.15569 142 4XX 0.00014 0.00002 0.00001 0.01002 -0.01700 143 4YY -0.02862 -0.00047 -0.00003 0.05320 -0.06144 144 4ZZ 0.02660 0.00043 0.00004 -0.06110 0.01460 145 4XY -0.00001 0.00197 -0.01273 -0.00001 0.00002 146 4XZ 0.04068 0.00070 0.00002 0.00321 -0.00552 147 4YZ 0.00030 -0.01886 0.01641 0.00002 -0.00001 148 16 C 1S 0.00210 0.00506 -0.00752 0.00499 0.00010 149 2S -0.38764 0.07608 0.24997 -0.04359 -0.02164 150 2PX -0.07891 -0.03309 0.00769 0.06986 0.09929 151 2PY 0.17740 -0.06324 -0.09100 0.09664 0.06935 152 2PZ 0.28374 0.02775 -0.37507 -0.00122 0.07426 153 3S 0.95877 -0.38835 -0.66120 0.07886 0.08790 154 3PX 0.02936 0.06414 0.00025 -0.17656 -0.23623 155 3PY -0.45110 -0.18969 0.25415 -0.22459 -0.08142 156 3PZ -0.50450 -0.13198 1.04745 -0.11538 -0.15129 157 4XX -0.02985 0.00405 0.03130 -0.00711 -0.01458 158 4YY -0.01578 0.00185 0.01785 0.01746 0.00753 159 4ZZ -0.01386 -0.00123 -0.01030 -0.02253 0.00087 160 4XY 0.04683 -0.00529 -0.00207 0.00816 0.01544 161 4XZ 0.02056 -0.00468 -0.01018 -0.02421 0.03473 162 4YZ 0.06420 0.00601 -0.02101 -0.02717 -0.00865 163 17 H 1S -0.05163 -0.00077 0.00004 -0.12112 0.34701 164 2S 0.41065 0.00690 0.00043 0.03807 -1.26437 165 18 H 1S -0.00472 -0.00013 0.00014 -0.39980 0.39563 166 2S -0.32187 -0.00534 -0.00063 1.09911 -0.93602 167 19 O 1S -0.00681 -0.00106 0.00073 -0.00210 -0.00073 168 2S 0.00076 0.05292 0.03018 0.01561 -0.14977 169 2PX 0.03398 0.01092 -0.04325 0.03431 0.00866 170 2PY -0.08496 -0.05199 0.00106 -0.07889 0.21777 171 2PZ -0.00067 -0.01234 0.07994 0.00878 0.02337 172 3S 0.09169 -0.03728 -0.20302 0.10005 0.12759 173 3PX 0.00615 -0.02928 0.07830 -0.10979 -0.15100 174 3PY 0.22968 0.09341 -0.01149 0.19053 -0.31807 175 3PZ 0.02307 0.02437 -0.18136 0.02387 -0.09458 176 4XX -0.01653 0.00947 0.01002 0.01981 -0.04626 177 4YY 0.04377 0.01092 -0.00334 -0.01389 -0.03786 178 4ZZ -0.02394 0.02895 0.01240 0.02531 -0.07807 179 4XY -0.00010 -0.00688 0.01239 0.01127 -0.02716 180 4XZ -0.01939 0.00896 0.00562 0.01336 -0.01234 181 4YZ -0.01469 0.00482 0.00057 0.02857 -0.02711 182 20 H 1S 0.31866 -0.01013 -0.13409 -0.28657 0.11507 183 2S -0.64290 0.35811 0.35538 0.78236 0.15327 184 21 H 1S 0.31753 0.02147 0.13477 -0.28653 0.11522 185 2S -0.62817 -0.38037 -0.35722 0.78214 0.15322 186 22 H 1S 0.24817 0.01316 0.27873 -0.07537 -0.00252 187 2S -0.91985 0.02687 -0.95964 -0.06873 -0.14614 188 23 H 1S 0.24865 -0.00457 -0.27845 -0.07562 -0.00256 189 2S -0.91966 -0.05894 0.95890 -0.06851 -0.14591 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 -0.00091 0.00625 0.00337 -0.01326 -0.01531 2 2S 0.33621 -0.25562 -0.25465 -0.46596 -0.49412 3 2PX -0.00570 0.10592 -0.04301 0.12732 -0.10286 4 2PY 0.06948 -0.08030 -0.27276 0.27573 -0.19411 5 2PZ -0.04166 0.18681 -0.06731 0.14914 0.07554 6 3S -1.22612 0.01150 0.85428 1.85058 1.66979 7 3PX -0.12679 -0.23235 0.91474 -1.13507 0.08608 8 3PY -0.47057 -0.26526 2.07259 -2.34356 0.98406 9 3PZ -0.06090 -0.30603 0.84466 -1.23811 -0.25005 10 4XX 0.00617 -0.01929 0.00075 -0.02104 -0.01981 11 4YY 0.01662 -0.04808 -0.03749 0.02620 -0.02320 12 4ZZ 0.02350 0.03329 0.01382 -0.06150 -0.02409 13 4XY -0.01129 -0.02313 0.01308 0.00548 -0.00859 14 4XZ -0.00238 0.03605 0.03195 -0.06789 -0.02814 15 4YZ -0.00756 -0.08449 0.01229 0.03103 0.05309 16 2 C 1S 0.00661 -0.00251 -0.01119 -0.00773 0.00070 17 2S 0.19028 -0.44934 0.08912 -0.43176 -0.03896 18 2PX 0.19697 0.04217 -0.30445 -0.04065 -0.10218 19 2PY 0.04290 -0.38650 0.15172 -0.08623 -0.05167 20 2PZ 0.10041 0.01483 -0.18344 0.09761 -0.04407 21 3S -0.44716 1.18190 -1.32950 2.11446 -0.29157 22 3PX -0.90287 -0.28315 1.62780 -0.83012 0.59972 23 3PY -0.21206 0.81483 -0.13467 0.22282 -0.44526 24 3PZ -0.83724 -0.55022 1.55341 -0.50025 0.59562 25 4XX 0.03634 -0.04939 0.00147 0.04643 -0.04190 26 4YY 0.04183 0.00227 -0.02673 -0.08330 0.09364 27 4ZZ -0.04568 -0.02301 0.00241 0.00311 -0.06586 28 4XY -0.00974 0.02778 0.01682 -0.05919 -0.03022 29 4XZ 0.02710 -0.01991 -0.07268 0.00965 0.02955 30 4YZ 0.01719 0.00136 -0.01102 0.04281 -0.04310 31 3 C 1S 0.02672 -0.02139 0.01201 -0.00231 0.00030 32 2S -0.58007 -0.17012 -0.32984 -0.23180 0.47148 33 2PX 0.06504 0.12024 -0.18170 -0.07886 0.05690 34 2PY -0.27478 -0.03004 0.00174 -0.01403 0.05799 35 2PZ -0.22377 -0.13453 -0.13714 -0.09033 0.24372 36 3S 1.42184 0.73430 0.29232 0.85239 -1.37805 37 3PX -0.13512 -0.30682 0.09387 0.66672 -0.11402 38 3PY 1.15302 0.16256 -0.81258 -0.22151 -0.14962 39 3PZ -0.07744 0.05176 0.71965 0.15279 -0.08935 40 4XX 0.00360 -0.03295 0.06409 -0.02516 -0.07387 41 4YY -0.04818 0.00048 -0.01240 -0.00874 0.07127 42 4ZZ -0.00404 -0.01698 -0.09214 0.00714 0.07072 43 4XY -0.00651 -0.05404 0.03005 -0.02348 0.03529 44 4XZ -0.06433 -0.00467 0.02231 -0.07108 0.00543 45 4YZ 0.01586 -0.01515 0.00659 0.00039 0.03389 46 4 C 1S -0.02682 -0.02124 -0.01208 0.00230 0.00030 47 2S 0.57919 -0.17326 0.32973 0.23113 0.47165 48 2PX -0.06433 0.12032 0.18204 0.07881 0.05706 49 2PY -0.27480 0.03129 0.00171 -0.01392 -0.05820 50 2PZ 0.22316 -0.13576 0.13698 0.09006 0.24368 51 3S -1.41846 0.74074 -0.29077 -0.85050 -1.37905 52 3PX 0.13342 -0.30779 -0.09462 -0.66654 -0.11459 53 3PY 1.15247 -0.16628 -0.81302 -0.22192 0.15057 54 3PZ 0.07772 0.05269 -0.71982 -0.15260 -0.08862 55 4XX -0.00367 -0.03280 -0.06423 0.02525 -0.07384 56 4YY 0.04815 0.00025 0.01248 0.00865 0.07130 57 4ZZ 0.00390 -0.01718 0.09214 -0.00724 0.07067 58 4XY -0.00625 0.05400 0.03017 -0.02347 -0.03534 59 4XZ 0.06431 -0.00488 -0.02223 0.07107 0.00553 60 4YZ 0.01598 0.01507 0.00661 0.00041 -0.03390 61 5 C 1S -0.00661 -0.00251 0.01118 0.00773 0.00070 62 2S -0.19219 -0.44819 -0.09002 0.43191 -0.03856 63 2PX -0.19683 0.04239 0.30454 0.04062 -0.10227 64 2PY 0.04454 0.38589 0.15226 -0.08629 0.05152 65 2PZ -0.10031 0.01500 0.18351 -0.09758 -0.04431 66 3S 0.45208 1.17685 1.33182 -2.11506 -0.29439 67 3PX 0.90172 -0.28371 -1.62869 0.82986 0.60172 68 3PY -0.21611 -0.81310 -0.13542 0.22235 0.44525 69 3PZ 0.83454 -0.55112 -1.55488 0.49976 0.59773 70 4XX -0.03653 -0.04924 -0.00156 -0.04645 -0.04192 71 4YY -0.04187 0.00241 0.02672 0.08328 0.09366 72 4ZZ 0.04561 -0.02320 -0.00243 -0.00305 -0.06584 73 4XY -0.00987 -0.02776 0.01676 -0.05918 0.03020 74 4XZ -0.02718 -0.01994 0.07265 -0.00970 0.02950 75 4YZ 0.01715 -0.00140 -0.01103 0.04281 0.04318 76 6 C 1S 0.00094 0.00626 -0.00336 0.01327 -0.01530 77 2S -0.33710 -0.25478 0.25415 0.46604 -0.49433 78 2PX 0.00622 0.10582 0.04306 -0.12727 -0.10294 79 2PY 0.06974 0.08058 -0.27268 0.27565 0.19437 80 2PZ 0.04240 0.18655 0.06761 -0.14925 0.07535 81 3S 1.22567 0.00784 -0.85478 -1.85122 1.67056 82 3PX 0.12566 -0.23123 -0.91480 1.13475 0.08775 83 3PY -0.46919 0.26283 2.07372 -2.34342 -0.98684 84 3PZ 0.05969 -0.30470 -0.84491 1.23816 -0.24832 85 4XX -0.00625 -0.01926 -0.00079 0.02109 -0.01982 86 4YY -0.01681 -0.04813 0.03738 -0.02623 -0.02322 87 4ZZ -0.02335 0.03343 -0.01374 0.06150 -0.02407 88 4XY -0.01121 0.02314 0.01312 0.00545 0.00859 89 4XZ 0.00254 0.03613 -0.03188 0.06791 -0.02810 90 4YZ -0.00719 0.08448 0.01250 0.03104 -0.05307 91 7 H 1S -0.03485 0.32946 0.13457 -0.22521 -0.25402 92 2S 0.32449 -0.57785 -0.29833 -0.22899 -0.46380 93 8 H 1S 0.02925 0.19375 -0.14227 -0.13046 0.39250 94 2S 0.14590 -0.96879 0.38110 -0.15608 -0.14106 95 9 H 1S 0.22095 -0.23345 0.43721 -0.12784 -0.24176 96 2S -0.50117 0.26565 -0.59448 -0.24015 0.60224 97 10 H 1S -0.22197 -0.23160 -0.43797 0.12809 -0.24166 98 2S 0.50254 0.26262 0.59507 0.23925 0.60256 99 11 H 1S -0.02863 0.19352 0.14257 0.13026 0.39263 100 2S -0.14997 -0.96705 -0.38277 0.15626 -0.14067 101 12 H 1S 0.03631 0.32960 -0.13389 0.22535 -0.25376 102 2S -0.32675 -0.57730 0.29731 0.22938 -0.46371 103 13 C 1S -0.00272 -0.01083 0.00757 -0.01582 0.00960 104 2S 0.10761 0.13787 -0.13116 -0.81404 0.22010 105 2PX 0.06069 -0.16655 -0.02480 0.07809 -0.09884 106 2PY -0.19453 0.15667 0.10346 0.03331 -0.02835 107 2PZ -0.04572 -0.26763 0.05748 0.15582 -0.01249 108 3S -0.21112 -0.52801 0.06226 2.52074 -0.44834 109 3PX 0.08684 0.23854 -0.23101 -0.17178 0.29568 110 3PY 0.47969 -0.37917 -0.16715 -0.52495 -0.13332 111 3PZ 0.86949 0.51993 -0.70116 -0.65619 0.06568 112 4XX -0.00878 0.02852 -0.01585 -0.03440 -0.02808 113 4YY -0.01795 0.00036 0.00432 -0.01009 0.03106 114 4ZZ 0.04426 -0.01225 -0.01945 -0.05312 0.02126 115 4XY -0.00098 -0.05105 0.00008 0.00125 0.05777 116 4XZ 0.05260 -0.01042 -0.03498 -0.04568 -0.03849 117 4YZ -0.02774 0.04390 0.02382 0.00558 -0.03675 118 14 O 1S 0.00954 -0.00333 -0.00862 -0.00800 -0.00260 119 2S 0.01615 0.02234 0.14152 -0.09460 0.01577 120 2PX -0.13684 0.00564 -0.10099 -0.01813 0.06748 121 2PY -0.01899 0.14671 0.11257 0.05909 -0.12792 122 2PZ 0.04495 0.05049 0.21539 0.06374 -0.01977 123 3S -0.33820 -0.02661 -0.05001 0.15608 0.13105 124 3PX 0.38681 0.03373 -0.11439 0.00532 -0.10995 125 3PY 0.05679 -0.16089 -0.18486 -0.08458 0.12156 126 3PZ 0.00667 -0.08051 -0.32897 -0.00442 0.05018 127 4XX 0.01960 0.00588 0.07372 -0.04060 0.00254 128 4YY 0.03573 0.02161 0.00350 -0.06417 -0.00330 129 4ZZ -0.03845 0.00241 0.02749 0.00580 0.00203 130 4XY 0.01736 -0.00602 -0.00555 -0.01219 -0.04040 131 4XZ -0.00836 -0.02935 0.01713 -0.04140 0.00379 132 4YZ 0.00041 0.02008 -0.00113 -0.02119 -0.01869 133 15 C 1S 0.00000 0.00221 0.00000 -0.00001 0.03072 134 2S -0.00017 -0.06398 0.00045 -0.00011 0.54752 135 2PX 0.00032 0.13802 0.00033 0.00004 0.00649 136 2PY 0.01831 0.00004 -0.11486 -0.01187 -0.00001 137 2PZ -0.00001 0.00184 0.00017 0.00003 -0.00338 138 3S -0.00011 -0.07001 -0.00151 0.00020 -1.11907 139 3PX 0.00017 0.08388 -0.00006 -0.00015 0.03339 140 3PY -0.12194 -0.00014 0.44936 -0.05067 -0.00011 141 3PZ 0.00075 0.31992 0.00010 -0.00001 -0.07544 142 4XX -0.00002 -0.01129 0.00000 0.00002 -0.00461 143 4YY -0.00013 -0.05704 -0.00001 -0.00001 0.05957 144 4ZZ 0.00009 0.04846 0.00004 -0.00003 0.04991 145 4XY 0.04029 -0.00013 0.04891 -0.01248 0.00003 146 4XZ 0.00004 0.02222 0.00003 0.00002 -0.00607 147 4YZ -0.02861 0.00007 -0.01800 0.01850 0.00000 148 16 C 1S 0.00267 -0.01082 -0.00759 0.01581 0.00961 149 2S -0.10705 0.13805 0.13138 0.81385 0.22064 150 2PX -0.06139 -0.16638 0.02443 -0.07806 -0.09889 151 2PY -0.19529 -0.15611 0.10322 0.03335 0.02827 152 2PZ 0.04450 -0.26764 -0.05806 -0.15581 -0.01251 153 3S 0.20893 -0.52828 -0.06335 -2.52045 -0.45012 154 3PX -0.08583 0.23861 0.23156 0.17157 0.29533 155 3PY 0.48159 0.37780 -0.16668 -0.52520 0.13319 156 3PZ -0.86702 0.52208 0.70209 0.65599 0.06520 157 4XX 0.00893 0.02845 0.01589 0.03443 -0.02803 158 4YY 0.01794 0.00032 -0.00432 0.01008 0.03106 159 4ZZ -0.04431 -0.01211 0.01945 0.05307 0.02126 160 4XY -0.00075 0.05106 0.00019 0.00128 -0.05776 161 4XZ -0.05264 -0.01024 0.03491 0.04570 -0.03850 162 4YZ -0.02792 -0.04383 0.02372 0.00558 0.03673 163 17 H 1S -0.00037 -0.15621 -0.00033 0.00000 0.00058 164 2S 0.00032 0.14026 0.00068 -0.00001 0.32625 165 18 H 1S 0.00020 0.09055 -0.00013 -0.00015 0.13879 166 2S -0.00090 -0.37473 0.00031 0.00017 0.11011 167 19 O 1S -0.00955 -0.00330 0.00861 0.00800 -0.00259 168 2S -0.01601 0.02263 -0.14142 0.09453 0.01583 169 2PX 0.13677 0.00484 0.10118 0.01811 0.06761 170 2PY -0.01969 -0.14679 0.11216 0.05904 0.12805 171 2PZ -0.04472 0.05104 -0.21539 -0.06361 -0.01979 172 3S 0.33794 -0.02799 0.05014 -0.15603 0.13130 173 3PX -0.38648 0.03518 0.11430 -0.00531 -0.11034 174 3PY 0.05755 0.16087 -0.18420 -0.08455 -0.12175 175 3PZ -0.00702 -0.08102 0.32895 0.00418 0.05006 176 4XX -0.01956 0.00608 -0.07367 0.04055 0.00254 177 4YY -0.03562 0.02176 -0.00345 0.06418 -0.00326 178 4ZZ 0.03849 0.00227 -0.02744 -0.00582 0.00206 179 4XY 0.01738 0.00596 -0.00548 -0.01223 0.04040 180 4XZ 0.00824 -0.02935 -0.01720 0.04140 0.00386 181 4YZ 0.00030 -0.02008 -0.00114 -0.02117 0.01866 182 20 H 1S -0.50834 -0.05215 -0.05928 -0.23790 -0.19783 183 2S 1.05370 -0.36109 0.10141 0.24306 0.44807 184 21 H 1S 0.50812 -0.05452 0.05879 0.23812 -0.19768 185 2S -1.05534 -0.35618 -0.10179 -0.24360 0.44797 186 22 H 1S 0.27696 -0.18611 -0.14096 -0.02199 0.14037 187 2S 0.01248 0.70138 -0.15860 -0.71352 0.12548 188 23 H 1S -0.27781 -0.18516 0.14062 0.02191 0.14009 189 2S -0.00938 0.70103 0.15993 0.71337 0.12592 106 107 108 109 110 V V V V V Eigenvalues -- 1.02295 1.02725 1.09209 1.09921 1.11414 1 1 C 1S 0.00453 -0.01307 -0.00841 0.01560 -0.01725 2 2S 0.29774 -0.43700 -0.29654 0.56479 -0.48698 3 2PX -0.02353 0.00570 -0.01855 0.08153 -0.10450 4 2PY -0.00009 -0.15835 0.03449 -0.01739 0.00856 5 2PZ 0.01071 0.05167 -0.01685 0.12169 0.00937 6 3S -1.19662 1.78036 0.81946 -1.78126 0.98117 7 3PX -0.09729 0.20141 0.10472 -0.69689 0.27265 8 3PY -0.21657 0.73888 0.17746 -0.14401 0.16428 9 3PZ -0.23040 0.11134 0.02889 -0.70203 0.04934 10 4XX -0.00146 0.00945 0.00586 -0.00591 -0.04633 11 4YY 0.00559 -0.04091 -0.00451 0.09249 -0.05712 12 4ZZ 0.02818 -0.03219 -0.03392 -0.01836 0.05689 13 4XY -0.00586 0.01965 0.00329 -0.08271 0.01806 14 4XZ 0.00395 -0.00933 -0.01781 0.01971 -0.02805 15 4YZ -0.01054 0.04161 0.00548 0.01704 -0.01913 16 2 C 1S -0.01109 0.00052 -0.01218 -0.02072 -0.01139 17 2S -0.20579 0.22201 0.11610 -0.82688 0.05612 18 2PX 0.13604 -0.11943 0.05091 0.03377 -0.00564 19 2PY -0.06592 -0.10427 0.05024 -0.03964 0.11183 20 2PZ -0.01930 -0.06914 -0.05406 0.10228 -0.05800 21 3S 0.97164 -1.03349 -0.33950 2.75246 -0.52965 22 3PX -0.49693 0.72875 0.15929 -0.40538 0.17666 23 3PY 0.01532 0.02742 -0.36974 -0.61333 -0.13578 24 3PZ -0.26059 0.58435 0.38220 -0.35790 0.15963 25 4XX 0.00485 -0.01555 -0.03846 0.02460 -0.01695 26 4YY -0.01070 0.04122 0.02370 -0.02326 0.02730 27 4ZZ -0.02254 -0.01534 0.00569 -0.09205 -0.01683 28 4XY 0.00821 0.00158 -0.00939 -0.02557 0.03096 29 4XZ 0.01038 -0.01611 -0.02314 0.01913 -0.03537 30 4YZ 0.00529 -0.00432 0.00487 0.02569 -0.05503 31 3 C 1S -0.00743 0.00466 0.01167 0.00039 -0.01172 32 2S -0.10470 -0.35534 -0.24824 -0.10908 -0.32147 33 2PX 0.06241 -0.01795 -0.07763 0.16502 -0.13858 34 2PY -0.06485 -0.23732 -0.11591 -0.08603 -0.02999 35 2PZ -0.05818 -0.26288 -0.10670 -0.06424 -0.03525 36 3S 0.35362 0.97446 0.33762 0.07138 0.77835 37 3PX 0.04606 0.02478 0.45707 -0.24467 0.42556 38 3PY 0.19414 0.39332 0.34402 0.18673 0.19206 39 3PZ 0.15270 0.59319 0.32427 0.51664 0.12913 40 4XX -0.01651 0.01518 0.02897 -0.01053 -0.01838 41 4YY -0.00417 -0.03536 -0.02047 -0.00059 -0.04198 42 4ZZ -0.00476 -0.02504 -0.03150 -0.00564 0.00569 43 4XY -0.01187 0.11388 0.01255 0.09024 0.03027 44 4XZ -0.01822 0.01737 0.02198 -0.02390 0.05808 45 4YZ 0.00532 0.01915 0.02023 0.04150 0.05642 46 4 C 1S 0.00743 0.00466 -0.01168 0.00043 -0.01165 47 2S 0.10490 -0.35499 0.24773 -0.11026 -0.32083 48 2PX -0.06237 -0.01815 0.07835 0.16461 -0.13888 49 2PY -0.06505 0.23727 -0.11563 0.08655 0.03006 50 2PZ 0.05838 -0.26267 0.10650 -0.06473 -0.03503 51 3S -0.35446 0.97358 -0.33755 0.07274 0.77548 52 3PX -0.04615 0.02570 -0.45809 -0.24213 0.42722 53 3PY 0.19458 -0.39300 0.34330 -0.18899 -0.19191 54 3PZ -0.15304 0.59301 -0.32193 0.51863 0.12813 55 4XX 0.01653 0.01518 -0.02907 -0.01042 -0.01832 56 4YY 0.00418 -0.03535 0.02046 -0.00068 -0.04195 57 4ZZ 0.00476 -0.02501 0.03153 -0.00578 0.00571 58 4XY -0.01182 -0.11387 0.01221 -0.09031 -0.03031 59 4XZ 0.01818 0.01729 -0.02203 -0.02383 0.05798 60 4YZ 0.00534 -0.01914 0.01999 -0.04161 -0.05642 61 5 C 1S 0.01108 0.00053 0.01207 -0.02076 -0.01141 62 2S 0.20561 0.22190 -0.11982 -0.82642 0.05679 63 2PX -0.13596 -0.11955 -0.05069 0.03405 -0.00572 64 2PY -0.06603 0.10445 0.05029 0.03920 -0.11150 65 2PZ 0.01933 -0.06906 0.05447 0.10206 -0.05832 66 3S -0.97076 -1.03266 0.35159 2.75053 -0.53018 67 3PX 0.49644 0.72863 -0.16108 -0.40462 0.17693 68 3PY 0.01534 -0.02798 -0.36659 0.61606 0.13552 69 3PZ 0.26030 0.58455 -0.38376 -0.35594 0.16148 70 4XX -0.00481 -0.01554 0.03854 0.02444 -0.01705 71 4YY 0.01065 0.04120 -0.02375 -0.02310 0.02739 72 4ZZ 0.02254 -0.01532 -0.00613 -0.09208 -0.01678 73 4XY 0.00822 -0.00152 -0.00930 0.02559 -0.03085 74 4XZ -0.01036 -0.01609 0.02321 0.01900 -0.03526 75 4YZ 0.00528 0.00433 0.00481 -0.02569 0.05500 76 6 C 1S -0.00452 -0.01307 0.00846 0.01557 -0.01726 77 2S -0.29731 -0.43730 0.29852 0.56372 -0.48751 78 2PX 0.02355 0.00577 0.01877 0.08139 -0.10457 79 2PY -0.00022 0.15827 0.03455 0.01723 -0.00851 80 2PZ -0.01078 0.05174 0.01741 0.12151 0.00933 81 3S 1.19516 1.78165 -0.82651 -1.77923 0.98316 82 3PX 0.09705 0.20086 -0.10757 -0.69586 0.27231 83 3PY -0.21614 -0.73820 0.17792 0.14254 -0.16512 84 3PZ 0.23026 0.11069 -0.03206 -0.70119 0.04830 85 4XX 0.00145 0.00944 -0.00594 -0.00587 -0.04626 86 4YY -0.00554 -0.04088 0.00486 0.09244 -0.05714 87 4ZZ -0.02816 -0.03225 0.03390 -0.01848 0.05676 88 4XY -0.00584 -0.01966 0.00364 0.08274 -0.01810 89 4XZ -0.00395 -0.00937 0.01786 0.01965 -0.02807 90 4YZ -0.01053 -0.04164 0.00543 -0.01703 0.01903 91 7 H 1S 0.03480 -0.04325 -0.08761 -0.10252 -0.02476 92 2S 0.14790 -0.35000 -0.10012 -0.10672 -0.16475 93 8 H 1S -0.03661 0.12763 0.05150 0.10764 -0.09524 94 2S -0.20894 0.00684 0.25222 -0.29722 0.19262 95 9 H 1S -0.07043 0.43247 0.29364 0.14111 0.09243 96 2S -0.09358 -1.12739 -0.88232 -0.22714 -0.75499 97 10 H 1S 0.07021 0.43224 -0.29328 0.14225 0.09272 98 2S 0.09436 -1.12726 0.88162 -0.23140 -0.75527 99 11 H 1S 0.03646 0.12765 -0.05101 0.10810 -0.09512 100 2S 0.20907 0.00659 -0.25344 -0.29575 0.19251 101 12 H 1S -0.03484 -0.04344 0.08706 -0.10270 -0.02543 102 2S -0.14756 -0.35017 0.09945 -0.10689 -0.16527 103 13 C 1S -0.01055 -0.00075 -0.00461 0.00904 0.01456 104 2S 0.10633 0.04461 0.08629 -0.21122 0.32831 105 2PX -0.18607 -0.06371 -0.06164 0.13936 -0.16799 106 2PY -0.18768 0.06821 0.01281 0.00796 -0.05662 107 2PZ -0.04730 -0.09600 0.13376 0.01284 0.05942 108 3S -1.28425 -0.24551 -0.37693 0.44998 -0.04331 109 3PX 0.36663 0.04025 -0.16473 0.21866 0.43677 110 3PY 1.23327 -0.18441 0.21626 -0.03921 0.33599 111 3PZ -0.10714 0.17238 -1.10030 0.12176 -0.13161 112 4XX -0.01128 0.00967 0.04116 0.05130 -0.02850 113 4YY -0.01929 -0.00772 -0.00403 -0.05474 0.04717 114 4ZZ -0.02235 0.00409 -0.05019 0.04414 0.02876 115 4XY 0.00690 0.01587 0.01311 -0.01730 0.01438 116 4XZ -0.07234 0.01510 -0.01465 -0.01266 0.00874 117 4YZ 0.00022 -0.04936 0.00232 0.05327 0.08909 118 14 O 1S 0.00630 -0.00082 0.00161 0.00673 0.01302 119 2S 0.46002 -0.12920 -0.00477 0.07652 0.21739 120 2PX 0.26734 -0.05516 0.34315 -0.03248 0.07786 121 2PY 0.37358 -0.06683 -0.25235 -0.11422 0.13237 122 2PZ -0.03925 0.06642 -0.26433 -0.31375 -0.41626 123 3S -1.13279 0.11685 0.18362 -0.24521 -0.75859 124 3PX -0.45551 0.15884 -0.71525 0.24972 -0.11766 125 3PY -0.65951 0.21074 0.38853 0.20233 -0.16332 126 3PZ 0.00456 -0.18370 0.30544 0.61827 0.73107 127 4XX 0.12949 -0.07380 -0.09933 0.01266 0.14775 128 4YY 0.09195 -0.03561 0.04630 0.03097 -0.03219 129 4ZZ 0.21129 -0.01679 0.04754 0.00709 0.08801 130 4XY -0.01518 0.05140 0.01386 -0.00631 -0.04811 131 4XZ 0.00425 -0.00415 0.06630 0.02061 0.00920 132 4YZ -0.01379 -0.04621 0.00128 0.01450 0.02436 133 15 C 1S 0.00000 -0.00093 0.00005 0.02843 -0.03478 134 2S -0.00009 0.28473 0.00105 0.55420 -0.49353 135 2PX -0.00013 0.33913 0.00015 0.10084 -0.03316 136 2PY -0.25327 -0.00009 0.00512 0.00001 0.00000 137 2PZ -0.00007 0.09399 -0.00007 -0.02671 0.02140 138 3S 0.00032 -0.94761 -0.00330 -1.65203 0.76593 139 3PX 0.00034 -1.00436 -0.00035 -0.29866 0.20746 140 3PY 0.75514 0.00026 0.36905 -0.00085 -0.00061 141 3PZ 0.00013 -0.17265 -0.00077 -0.32296 -0.47157 142 4XX -0.00005 0.12184 -0.00003 0.01975 -0.10749 143 4YY -0.00003 0.04729 0.00005 0.02850 0.00341 144 4ZZ 0.00006 -0.11853 0.00006 0.01458 -0.03352 145 4XY 0.00345 -0.00002 -0.14951 0.00034 0.00009 146 4XZ -0.00003 0.04082 -0.00022 -0.05192 -0.15571 147 4YZ 0.10161 0.00007 0.05826 -0.00014 0.00004 148 16 C 1S 0.01055 -0.00075 0.00467 0.00901 0.01456 149 2S -0.10640 0.04432 -0.08665 -0.21101 0.32933 150 2PX 0.18616 -0.06353 0.06202 0.13913 -0.16818 151 2PY -0.18762 -0.06822 0.01287 -0.00801 0.05683 152 2PZ 0.04739 -0.09596 -0.13359 0.01341 0.05967 153 3S 1.28457 -0.24411 0.37842 0.44878 -0.04807 154 3PX -0.36667 0.03980 0.16625 0.21796 0.43512 155 3PY 1.23305 0.18508 0.21592 0.03819 -0.33825 156 3PZ 0.10720 0.17254 1.10066 0.11718 -0.13424 157 4XX 0.01128 0.00966 -0.04095 0.05150 -0.02846 158 4YY 0.01929 -0.00774 0.00386 -0.05474 0.04719 159 4ZZ 0.02235 0.00412 0.05039 0.04387 0.02865 160 4XY 0.00689 -0.01586 0.01314 0.01723 -0.01440 161 4XZ 0.07233 0.01514 0.01458 -0.01274 0.00872 162 4YZ 0.00018 0.04936 0.00200 -0.05330 -0.08910 163 17 H 1S 0.00001 0.03444 0.00018 0.10106 -0.05008 164 2S -0.00023 0.62703 0.00084 0.47189 -0.32657 165 18 H 1S 0.00018 -0.47957 0.00031 0.10583 -0.03821 166 2S -0.00035 1.02153 0.00104 0.55936 0.19939 167 19 O 1S -0.00630 -0.00083 -0.00157 0.00674 0.01302 168 2S -0.45990 -0.12953 0.00537 0.07663 0.21757 169 2PX -0.26733 -0.05547 -0.34319 -0.03097 0.07822 170 2PY 0.37355 0.06700 -0.25206 0.11535 -0.13201 171 2PZ 0.03925 0.06663 0.26251 -0.31487 -0.41605 172 3S 1.13265 0.11764 -0.18530 -0.24485 -0.75794 173 3PX 0.45546 0.15931 0.71615 0.24663 -0.11902 174 3PY -0.65938 -0.21104 0.38801 -0.20414 0.16288 175 3PZ -0.00450 -0.18394 -0.30199 0.61958 0.73030 176 4XX -0.12943 -0.07388 0.09955 0.01225 0.14774 177 4YY -0.09192 -0.03571 -0.04620 0.03121 -0.03205 178 4ZZ -0.21127 -0.01695 -0.04738 0.00736 0.08804 179 4XY -0.01514 -0.05141 0.01399 0.00625 0.04810 180 4XZ -0.00424 -0.00418 -0.06620 0.02091 0.00938 181 4YZ -0.01379 0.04620 0.00118 -0.01449 -0.02438 182 20 H 1S -0.06503 0.07293 -0.17708 -0.05034 -0.00803 183 2S 0.28564 -0.46880 0.22926 -0.38101 -0.01424 184 21 H 1S 0.06503 0.07298 0.17681 -0.05100 -0.00869 185 2S -0.28534 -0.46931 -0.23075 -0.37983 -0.01507 186 22 H 1S -0.07749 -0.00134 -0.24485 0.08747 -0.02585 187 2S -0.14393 0.16906 -0.29779 -0.04549 -0.02346 188 23 H 1S 0.07752 -0.00125 0.24526 0.08638 -0.02646 189 2S 0.14369 0.16892 0.29766 -0.04676 -0.02406 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 0.00255 -0.00065 -0.00168 0.00952 0.04030 2 2S 0.01155 -0.04115 -0.18488 0.35355 0.90574 3 2PX 0.00655 0.01626 0.00050 0.08120 0.03381 4 2PY -0.05922 -0.07511 0.04410 -0.07625 -0.00013 5 2PZ 0.05693 0.02450 0.05158 0.11871 -0.15861 6 3S 0.39503 0.43493 0.02416 0.07414 -3.44714 7 3PX -0.62432 -0.04532 0.10681 -0.45843 0.04339 8 3PY 0.22689 0.32228 -0.42478 -0.85509 0.19758 9 3PZ -1.03999 -0.07973 0.14624 -0.27901 0.77040 10 4XX 0.05793 -0.02343 -0.00626 0.02528 0.04062 11 4YY -0.00417 0.00954 -0.02822 0.01239 0.01611 12 4ZZ -0.06667 0.00607 0.02306 0.00048 0.03161 13 4XY 0.03512 -0.01190 0.11158 0.02855 -0.06151 14 4XZ 0.01241 0.00400 0.00679 0.05169 0.07661 15 4YZ 0.05363 0.04241 -0.12679 -0.00023 -0.01150 16 2 C 1S -0.00788 -0.00314 0.00510 -0.02077 -0.00101 17 2S 0.39927 -0.27415 0.07679 -0.20100 -0.26968 18 2PX -0.03966 -0.16530 -0.02922 -0.02842 0.02089 19 2PY -0.29294 -0.05476 -0.10030 -0.33620 0.05176 20 2PZ -0.14152 -0.01190 0.08614 0.02023 0.06974 21 3S 0.28300 0.37909 -0.78090 1.58050 0.88850 22 3PX -0.01007 0.43447 -0.17077 0.24563 -0.56019 23 3PY 0.60806 0.03380 0.86949 1.77786 -0.14169 24 3PZ 0.63210 0.26496 -0.95500 -0.38460 -0.33114 25 4XX -0.02622 0.03284 -0.05384 0.00352 0.04301 26 4YY 0.02239 -0.01593 -0.01803 -0.13687 0.00391 27 4ZZ 0.02453 -0.04213 0.06154 0.08054 -0.04659 28 4XY -0.04103 0.01505 0.01861 0.05780 -0.05129 29 4XZ 0.10566 -0.00396 0.00811 0.01916 0.02171 30 4YZ 0.03881 0.01685 0.00907 0.02208 0.07810 31 3 C 1S 0.02839 -0.00272 -0.03865 -0.01363 0.01255 32 2S 0.38548 -0.05628 -0.80649 -0.18890 0.28785 33 2PX -0.08600 -0.01424 -0.11812 0.00183 -0.15118 34 2PY 0.01186 0.04197 0.04731 -0.04679 0.01421 35 2PZ 0.12822 0.10637 0.03641 -0.16531 0.03504 36 3S -1.27802 -0.34840 2.25842 1.55694 -0.92178 37 3PX 0.42679 -0.06924 0.05060 -0.38278 0.81685 38 3PY -0.53931 -0.16336 0.30149 -1.06485 0.24155 39 3PZ -0.56756 -0.04757 -0.52436 0.43436 -0.39172 40 4XX -0.01105 0.00153 0.00532 0.00939 -0.00441 41 4YY 0.01730 0.01407 -0.07310 0.01419 0.01323 42 4ZZ 0.05080 -0.02511 -0.05724 -0.03766 0.02260 43 4XY -0.00164 0.00972 -0.06090 -0.00516 -0.00760 44 4XZ -0.06521 -0.04502 -0.00099 0.04322 -0.09957 45 4YZ -0.03497 0.00114 -0.08686 -0.06311 -0.00477 46 4 C 1S -0.02844 -0.00250 -0.03869 0.01350 -0.01246 47 2S -0.38672 -0.05334 -0.80716 0.18647 -0.28648 48 2PX 0.08545 -0.01490 -0.11799 -0.00207 0.15104 49 2PY 0.01166 -0.04198 -0.04721 -0.04705 0.01428 50 2PZ -0.12745 0.10726 0.03598 0.16553 -0.03510 51 3S 1.27740 -0.35721 2.26302 -1.55012 0.91734 52 3PX -0.42610 -0.06616 0.04901 0.38275 -0.81628 53 3PY -0.53877 0.16835 -0.29835 -1.06564 0.24231 54 3PZ 0.56725 -0.05200 -0.52329 -0.43659 0.39280 55 4XX 0.01107 0.00141 0.00535 -0.00950 0.00461 56 4YY -0.01724 0.01422 -0.07310 -0.01435 -0.01310 57 4ZZ -0.05108 -0.02470 -0.05731 0.03755 -0.02270 58 4XY -0.00180 -0.00968 0.06094 -0.00513 -0.00751 59 4XZ 0.06494 -0.04552 -0.00084 -0.04335 0.09960 60 4YZ -0.03503 -0.00080 0.08700 -0.06284 -0.00486 61 5 C 1S 0.00784 -0.00322 0.00506 0.02081 0.00097 62 2S -0.40117 -0.27104 0.07658 0.20140 0.26904 63 2PX 0.03822 -0.16551 -0.02933 0.02829 -0.02109 64 2PY -0.29267 0.05752 0.10125 -0.33583 0.05162 65 2PZ 0.14123 -0.01295 0.08615 -0.02006 -0.06984 66 3S -0.28169 0.38362 -0.77749 -1.58327 -0.88624 67 3PX 0.01401 0.43387 -0.17014 -0.24611 0.56117 68 3PY 0.60794 -0.04042 -0.87401 1.77525 -0.14103 69 3PZ -0.62959 0.26898 -0.95588 0.38212 0.33283 70 4XX 0.02634 0.03264 -0.05386 -0.00352 -0.04310 71 4YY -0.02244 -0.01584 -0.01836 0.13680 -0.00395 72 4ZZ -0.02481 -0.04189 0.06178 -0.08045 0.04668 73 4XY -0.04120 -0.01477 -0.01878 0.05778 -0.05125 74 4XZ -0.10577 -0.00305 0.00816 -0.01902 -0.02187 75 4YZ 0.03875 -0.01718 -0.00911 0.02210 0.07801 76 6 C 1S -0.00259 -0.00062 -0.00168 -0.00951 -0.04031 77 2S -0.01290 -0.04055 -0.18465 -0.35370 -0.90598 78 2PX -0.00668 0.01645 0.00070 -0.08106 -0.03400 79 2PY -0.05861 0.07563 -0.04392 -0.07627 -0.00018 80 2PZ -0.05680 0.02519 0.05202 -0.11856 0.15843 81 3S -0.38941 0.43736 0.02692 -0.07453 3.44783 82 3PX 0.62468 -0.05161 0.10537 0.45832 -0.04308 83 3PY 0.22372 -0.32276 0.42716 -0.85411 0.19734 84 3PZ 1.03973 -0.08933 0.14465 0.27913 -0.77012 85 4XX -0.05811 -0.02292 -0.00624 -0.02538 -0.04047 86 4YY 0.00408 0.00954 -0.02820 -0.01241 -0.01615 87 4ZZ 0.06678 0.00552 0.02305 -0.00039 -0.03169 88 4XY 0.03517 0.01159 -0.11170 0.02827 -0.06135 89 4XZ -0.01241 0.00414 0.00687 -0.05161 -0.07669 90 4YZ 0.05335 -0.04284 0.12675 0.00004 -0.01155 91 7 H 1S -0.39958 -0.07140 0.14172 0.05191 0.37772 92 2S -0.39323 -0.13609 -0.02409 -0.02737 0.65765 93 8 H 1S -0.09823 0.04780 -0.13514 -0.54276 -0.05629 94 2S -0.29857 -0.19960 -0.30550 -0.82832 -0.06703 95 9 H 1S -0.00142 -0.08636 -0.10675 0.14335 -0.08658 96 2S 0.46210 0.23874 -0.36870 -0.08331 0.02848 97 10 H 1S 0.00090 -0.08625 -0.10636 -0.14400 0.08696 98 2S -0.46210 0.24249 -0.36881 0.08277 -0.02829 99 11 H 1S 0.09850 0.04647 -0.13648 0.54253 0.05618 100 2S 0.29724 -0.20285 -0.30762 0.82741 0.06723 101 12 H 1S 0.39897 -0.07468 0.14147 -0.05151 -0.37787 102 2S 0.39196 -0.13949 -0.02478 0.02725 -0.65741 103 13 C 1S 0.00057 0.02009 -0.00439 0.00221 -0.00739 104 2S 0.58409 0.13535 0.00653 0.10216 -0.25502 105 2PX -0.10247 0.04548 0.03939 -0.09898 0.16301 106 2PY -0.10032 -0.07419 0.06220 0.13995 0.04376 107 2PZ 0.10628 0.14666 0.11880 0.07908 0.13903 108 3S -2.40042 0.25762 0.10611 0.94625 0.57653 109 3PX -0.78278 0.10394 0.27480 0.81594 -1.00056 110 3PY 1.00364 0.31614 -0.36007 -0.65132 -0.10675 111 3PZ -0.95124 -0.08642 0.11991 0.13864 -1.11272 112 4XX -0.01154 0.09082 -0.08422 0.02713 0.08956 113 4YY -0.00061 0.00650 -0.02579 0.00735 -0.00791 114 4ZZ -0.01244 -0.04731 0.10278 0.02366 -0.11849 115 4XY 0.00333 0.10457 0.12496 -0.01362 -0.00752 116 4XZ 0.01103 -0.03161 -0.02080 0.05651 -0.02435 117 4YZ 0.00626 -0.00934 -0.02990 0.01875 0.03743 118 14 O 1S -0.00262 0.01390 0.01444 0.00269 -0.00398 119 2S 0.07064 0.27677 0.18830 0.02874 -0.01561 120 2PX 0.01546 -0.42870 -0.05307 -0.14128 -0.02074 121 2PY -0.03216 0.16112 -0.23460 -0.02819 -0.10513 122 2PZ 0.25425 0.11237 0.00061 -0.24966 0.09643 123 3S 0.37505 -0.66911 -0.37338 -0.15567 0.48116 124 3PX -0.37729 0.80520 0.10545 0.46150 -0.17349 125 3PY -0.01545 -0.27323 0.48008 0.08540 0.17041 126 3PZ -0.59751 -0.13425 0.11817 0.65383 -0.22148 127 4XX 0.03648 0.09317 0.09070 -0.00366 -0.08664 128 4YY 0.04289 -0.04879 0.04919 0.00812 0.01470 129 4ZZ -0.01443 0.20008 0.00761 0.00438 0.05312 130 4XY 0.00155 0.01896 -0.01815 0.03714 0.00460 131 4XZ 0.05771 0.05005 0.05262 0.02295 0.06193 132 4YZ -0.00761 -0.05376 -0.06416 0.03440 0.00280 133 15 C 1S -0.00012 -0.02222 0.04280 0.00003 0.00002 134 2S -0.00175 -0.30598 0.74455 0.00057 0.00024 135 2PX -0.00026 -0.06284 -0.29023 -0.00040 0.00015 136 2PY 0.03743 -0.00016 -0.00001 0.00608 0.05645 137 2PZ -0.00073 -0.17969 -0.02057 -0.00010 0.00000 138 3S 0.00311 0.52488 -1.16622 -0.00048 -0.00119 139 3PX -0.00194 -0.47164 0.39205 0.00023 -0.00023 140 3PY 0.44388 -0.00161 0.00070 -0.60850 0.11056 141 3PZ 0.00262 0.72140 -0.41087 -0.00013 0.00028 142 4XX -0.00009 -0.00503 -0.00724 -0.00001 0.00005 143 4YY 0.00021 0.04367 0.11026 0.00017 -0.00011 144 4ZZ -0.00069 -0.15102 0.01033 -0.00009 0.00007 145 4XY -0.00361 0.00005 -0.00005 0.01961 -0.07458 146 4XZ -0.00096 -0.20509 0.00418 -0.00009 0.00004 147 4YZ -0.07042 0.00028 -0.00004 0.06268 0.01597 148 16 C 1S -0.00039 0.02009 -0.00439 -0.00221 0.00742 149 2S -0.58235 0.14034 0.00694 -0.10233 0.25543 150 2PX 0.10248 0.04449 0.03904 0.09927 -0.16320 151 2PY -0.09959 0.07486 -0.06250 0.13995 0.04372 152 2PZ -0.10498 0.14759 0.11885 -0.07860 -0.13911 153 3S 2.40227 0.23884 0.10807 -0.94550 -0.57723 154 3PX 0.78429 0.09864 0.27729 -0.81583 1.00098 155 3PY 1.00027 -0.32357 0.36173 -0.65077 -0.10695 156 3PZ 0.95047 -0.09364 0.12115 -0.13877 1.11282 157 4XX 0.01218 0.09074 -0.08424 -0.02735 -0.08927 158 4YY 0.00076 0.00651 -0.02578 -0.00740 0.00790 159 4ZZ 0.01211 -0.04736 0.10295 -0.02344 0.11834 160 4XY 0.00243 -0.10457 -0.12492 -0.01404 -0.00723 161 4XZ -0.01126 -0.03147 -0.02068 -0.05660 0.02441 162 4YZ 0.00622 0.00931 0.02985 0.01881 0.03738 163 17 H 1S 0.00093 0.23483 0.17264 0.00026 0.00009 164 2S -0.00044 -0.03984 -0.11364 -0.00027 0.00039 165 18 H 1S -0.00025 -0.03251 0.16191 0.00007 0.00010 166 2S -0.00221 -0.59710 0.58148 0.00032 -0.00008 167 19 O 1S 0.00276 0.01388 0.01445 -0.00264 0.00395 168 2S -0.06806 0.27740 0.18840 -0.02810 0.01538 169 2PX -0.01885 -0.42862 -0.05333 0.14079 0.02055 170 2PY -0.03357 -0.16082 0.23462 -0.02789 -0.10516 171 2PZ -0.25387 0.11411 0.00005 0.25010 -0.09670 172 3S -0.38181 -0.66647 -0.37416 0.15433 -0.48019 173 3PX 0.38361 0.80249 0.10650 -0.46069 0.17401 174 3PY -0.01325 0.27316 -0.48030 0.08472 0.17071 175 3PZ 0.59730 -0.13838 0.11959 -0.65441 0.22209 176 4XX -0.03548 0.09345 0.09077 0.00401 0.08639 177 4YY -0.04336 -0.04841 0.04920 -0.00815 -0.01459 178 4ZZ 0.01620 0.20000 0.00759 -0.00415 -0.05324 179 4XY 0.00146 -0.01902 0.01807 0.03717 0.00454 180 4XZ -0.05728 0.05053 0.05263 -0.02279 -0.06193 181 4YZ -0.00718 0.05374 0.06410 0.03469 0.00263 182 20 H 1S -0.25536 -0.04321 -0.13652 0.08291 -0.18535 183 2S -0.49771 0.06880 -0.13567 0.21003 -0.35692 184 21 H 1S 0.25495 -0.04523 -0.13626 -0.08340 0.18569 185 2S 0.49831 0.06498 -0.13496 -0.21039 0.35755 186 22 H 1S -0.19114 0.04970 0.24731 0.01502 -0.33507 187 2S -0.20058 -0.18428 -0.10109 0.16656 -0.33979 188 23 H 1S 0.19150 0.04828 0.24764 -0.01443 0.33494 189 2S 0.19900 -0.18556 -0.10039 -0.16726 0.34036 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 0.01230 0.00339 -0.02931 -0.00466 0.01971 2 2S 0.34902 0.08871 -0.56106 -0.12292 0.40194 3 2PX 0.10633 0.06359 -0.03706 0.02795 0.00539 4 2PY -0.08206 -0.00677 -0.01966 0.06954 0.02608 5 2PZ 0.10505 0.03914 -0.07461 -0.05093 0.09512 6 3S -0.63006 -0.21971 1.90648 0.03188 -2.71264 7 3PX -0.43456 -0.23078 0.59492 0.28936 -0.89806 8 3PY 0.20182 0.02578 -0.41062 -0.41189 1.27106 9 3PZ -0.40439 -0.17343 0.25585 0.39654 -1.29738 10 4XX -0.00585 -0.15133 -0.12179 -0.19836 0.08186 11 4YY 0.06996 0.04889 -0.00201 -0.04171 -0.00141 12 4ZZ -0.05183 0.09850 0.07770 0.22899 -0.07065 13 4XY 0.00319 -0.04167 -0.00493 -0.02390 -0.01592 14 4XZ 0.04868 0.05857 -0.05445 -0.06704 -0.00703 15 4YZ 0.01381 0.05311 0.02875 0.11104 0.01234 16 2 C 1S 0.02392 -0.00354 -0.00683 0.03049 -0.00201 17 2S 0.22059 -0.04052 -0.01166 0.38661 -0.13156 18 2PX 0.09521 0.00136 0.04859 0.08846 -0.04660 19 2PY 0.00792 0.08457 0.06431 -0.07729 0.07146 20 2PZ 0.04001 0.00444 -0.04321 0.00864 -0.01683 21 3S -0.72256 -0.19770 -0.47745 -1.03478 1.48706 22 3PX -0.49304 -0.09065 -0.14362 -0.30347 -0.17433 23 3PY -0.42728 -0.06556 -0.29303 0.47345 -1.33011 24 3PZ -0.58859 -0.42329 0.46237 -0.24926 0.27812 25 4XX -0.00532 0.08764 0.09595 0.19343 -0.03495 26 4YY 0.06306 0.05486 0.02987 -0.05776 0.06507 27 4ZZ -0.04333 -0.15675 -0.12158 -0.07257 0.00202 28 4XY -0.00122 0.05306 -0.03327 0.04472 -0.05934 29 4XZ 0.07339 0.05157 0.01917 -0.00070 -0.01867 30 4YZ -0.00013 -0.09245 -0.07998 -0.16036 0.08191 31 3 C 1S -0.04200 -0.03935 0.02417 0.00606 0.02050 32 2S -0.63805 -0.62062 0.27112 0.37985 0.22947 33 2PX 0.18521 -0.11371 -0.14743 -0.00644 0.08326 34 2PY -0.01361 0.10138 0.05263 -0.06497 0.01100 35 2PZ 0.00067 0.20083 0.08366 -0.15528 0.03375 36 3S 1.87322 1.35087 -1.30995 0.00278 -1.58447 37 3PX -0.37774 0.22483 0.85271 -0.05254 -0.28354 38 3PY 0.53953 0.18516 0.30651 0.18274 0.32652 39 3PZ -0.11670 -0.40718 -0.29710 -0.02030 0.36241 40 4XX -0.07912 -0.08715 -0.02669 -0.07001 0.05196 41 4YY -0.04828 -0.05723 -0.01130 0.00785 -0.00256 42 4ZZ 0.01809 0.07215 0.07513 0.09487 -0.03747 43 4XY 0.09061 0.07392 0.04427 0.07258 -0.02530 44 4XZ -0.00979 -0.00390 -0.08841 0.00099 0.00864 45 4YZ -0.01379 0.13557 0.04168 0.00572 0.02392 46 4 C 1S -0.04204 -0.03913 -0.02451 0.00597 -0.02050 47 2S -0.63870 -0.61821 -0.27703 0.37880 -0.22966 48 2PX 0.18535 -0.11487 0.14657 -0.00633 -0.08318 49 2PY 0.01367 -0.10185 0.05175 0.06513 0.01090 50 2PZ 0.00043 0.20151 -0.08178 -0.15559 -0.03358 51 3S 1.87630 1.33950 1.32120 0.00993 1.58381 52 3PX -0.37868 0.23172 -0.85088 -0.05340 0.28319 53 3PY -0.53821 -0.18740 0.30495 -0.18121 0.32707 54 3PZ -0.11574 -0.40964 0.29429 -0.02085 -0.36230 55 4XX -0.07913 -0.08731 0.02625 -0.07009 -0.05189 56 4YY -0.04831 -0.05726 0.01077 0.00788 0.00260 57 4ZZ 0.01806 0.07266 -0.07482 0.09484 0.03734 58 4XY -0.09062 -0.07427 0.04394 -0.07255 -0.02511 59 4XZ -0.00961 -0.00456 0.08846 0.00128 -0.00847 60 4YZ 0.01383 -0.13590 0.04053 -0.00558 0.02379 61 5 C 1S 0.02392 -0.00361 0.00676 0.03049 0.00198 62 2S 0.22096 -0.04086 0.01080 0.38712 0.13112 63 2PX 0.09513 0.00172 -0.04876 0.08878 0.04648 64 2PY -0.00760 -0.08501 0.06337 0.07758 0.07135 65 2PZ 0.03991 0.00411 0.04317 0.00885 0.01689 66 3S -0.72334 -0.20036 0.47688 -1.03884 -1.48577 67 3PX -0.49186 -0.09190 0.14363 -0.30292 0.17463 68 3PY 0.42558 0.06788 -0.29070 -0.47833 -1.32970 69 3PZ -0.58808 -0.41953 -0.46512 -0.25121 -0.27794 70 4XX -0.00535 0.08840 -0.09565 0.19319 0.03472 71 4YY 0.06295 0.05504 -0.02922 -0.05807 -0.06503 72 4ZZ -0.04320 -0.15767 0.12043 -0.07216 -0.00187 73 4XY 0.00109 -0.05285 -0.03368 -0.04503 -0.05941 74 4XZ 0.07337 0.05169 -0.01888 -0.00077 0.01854 75 4YZ 0.00025 0.09315 -0.07956 0.16049 0.08175 76 6 C 1S 0.01224 0.00314 0.02934 -0.00469 -0.01970 77 2S 0.34788 0.08408 0.56196 -0.12347 -0.40174 78 2PX 0.10637 0.06330 0.03748 0.02795 -0.00542 79 2PY 0.08213 0.00692 -0.01941 -0.06956 0.02617 80 2PZ 0.10535 0.03860 0.07505 -0.05107 -0.09500 81 3S -0.62421 -0.20401 -1.90764 0.03839 2.71275 82 3PX -0.43465 -0.22627 -0.59746 0.29178 0.89800 83 3PY -0.20071 -0.02205 -0.41209 0.41591 1.27012 84 3PZ -0.40529 -0.17189 -0.25817 0.40074 1.29708 85 4XX -0.00590 -0.15232 0.12100 -0.19834 -0.08161 86 4YY 0.06995 0.04887 0.00246 -0.04168 0.00144 87 4ZZ -0.05188 0.09911 -0.07736 0.22898 0.07040 88 4XY -0.00329 0.04173 -0.00453 0.02388 -0.01587 89 4XZ 0.04863 0.05810 0.05503 -0.06696 0.00710 90 4YZ -0.01382 -0.05336 0.02839 -0.11093 0.01242 91 7 H 1S -0.06907 -0.04121 -0.01288 0.19085 -0.23534 92 2S -0.22073 -0.14770 0.04564 0.24088 -0.43629 93 8 H 1S 0.24057 -0.08032 0.12260 0.04853 0.16416 94 2S 0.14734 0.05346 0.12102 -0.05537 0.33920 95 9 H 1S -0.15632 -0.17588 -0.07162 -0.03516 0.13020 96 2S -0.12879 -0.30951 -0.06334 0.14667 0.17674 97 10 H 1S -0.15620 -0.17637 0.07023 -0.03543 -0.13009 98 2S -0.12920 -0.30997 0.06040 0.14635 -0.17659 99 11 H 1S 0.24022 -0.07941 -0.12312 0.04770 -0.16429 100 2S 0.14677 0.05419 -0.12009 -0.05664 -0.33920 101 12 H 1S -0.06951 -0.04138 0.01201 0.19178 0.23510 102 2S -0.22162 -0.14753 -0.04745 0.24241 0.43598 103 13 C 1S -0.01131 0.01598 0.02512 -0.02888 -0.00972 104 2S -0.31859 0.38060 0.35125 -0.50963 -0.36822 105 2PX 0.13220 -0.07650 -0.03673 0.15023 0.07906 106 2PY -0.11110 -0.03986 -0.00282 0.04250 -0.06980 107 2PZ 0.01303 0.17760 0.08879 -0.10661 0.00340 108 3S 0.36106 -0.57180 -1.52961 1.15067 1.28440 109 3PX -0.44645 -0.20871 0.41938 0.05070 0.35545 110 3PY 0.23851 0.10471 1.91707 0.10920 0.33807 111 3PZ -0.24910 -0.51254 -0.14411 0.49942 -0.18270 112 4XX -0.14362 -0.02843 0.15323 -0.13900 0.01097 113 4YY 0.02601 0.05753 -0.01342 -0.09256 -0.00071 114 4ZZ 0.02861 -0.01565 -0.08863 0.22941 0.00639 115 4XY 0.12677 -0.24455 0.03244 0.07529 0.01108 116 4XZ -0.04360 0.17069 0.07238 -0.01107 -0.02495 117 4YZ 0.00764 0.10540 0.00095 0.09705 0.09744 118 14 O 1S 0.01454 -0.01718 -0.00046 0.01510 0.01366 119 2S 0.05288 -0.18735 0.11804 0.14269 0.27638 120 2PX 0.21550 -0.03625 -0.30934 -0.07802 -0.05396 121 2PY 0.04579 -0.02652 0.10710 0.03039 -0.03016 122 2PZ 0.11021 0.11143 -0.23779 -0.01701 -0.19729 123 3S -0.51383 0.73267 -0.07418 -0.51261 -0.78424 124 3PX -0.58284 -0.03349 0.94633 0.49834 0.27042 125 3PY 0.07604 -0.04030 -0.50150 -0.07332 0.00233 126 3PZ -0.39632 -0.28271 0.85890 0.18171 0.64897 127 4XX 0.11632 -0.05513 -0.01963 0.19794 0.23083 128 4YY -0.11170 0.05184 -0.03142 0.00877 0.05930 129 4ZZ 0.09476 -0.18615 0.12724 -0.06337 -0.07493 130 4XY -0.06691 0.08958 0.06603 0.06224 -0.20193 131 4XZ -0.02393 -0.00126 0.10053 -0.04634 0.06392 132 4YZ -0.07716 0.01123 0.05928 -0.12306 0.19156 133 15 C 1S -0.05236 -0.00936 -0.00006 0.02836 -0.00002 134 2S -0.82047 0.04670 -0.00012 0.32651 -0.00023 135 2PX -0.05159 0.02868 0.00018 -0.04113 0.00002 136 2PY 0.00005 0.00073 -0.17748 -0.00018 -0.06155 137 2PZ 0.00186 0.03013 0.00010 0.01052 -0.00003 138 3S 2.59778 -0.03981 0.00068 -1.08393 0.00081 139 3PX 0.02729 -0.30915 -0.00151 0.26550 -0.00021 140 3PY 0.00025 0.00412 -0.98905 -0.00103 -0.27138 141 3PZ -0.30550 0.12320 0.00034 0.05736 0.00004 142 4XX -0.08367 0.07470 0.00024 0.08343 0.00001 143 4YY 0.10587 -0.07446 -0.00036 -0.00384 0.00006 144 4ZZ -0.08516 -0.01012 0.00004 -0.05403 -0.00008 145 4XY -0.00008 -0.00032 0.06796 -0.00004 0.36304 146 4XZ -0.07622 0.12741 0.00057 -0.04462 0.00005 147 4YZ 0.00004 -0.00069 0.16862 0.00030 -0.29114 148 16 C 1S -0.01130 0.01620 -0.02494 -0.02893 0.00975 149 2S -0.31818 0.38355 -0.34723 -0.50960 0.36868 150 2PX 0.13192 -0.07684 0.03579 0.14998 -0.07917 151 2PY 0.11106 0.03980 -0.00236 -0.04260 -0.06974 152 2PZ 0.01294 0.17828 -0.08716 -0.10670 -0.00334 153 3S 0.36074 -0.58438 1.52311 1.15189 -1.28556 154 3PX -0.44480 -0.20472 -0.42102 0.05011 -0.35552 155 3PY -0.23825 -0.12027 1.91601 -0.10544 0.33815 156 3PZ -0.24800 -0.51336 0.13947 0.49897 0.18231 157 4XX -0.14374 -0.02718 -0.15324 -0.13951 -0.01111 158 4YY 0.02602 0.05745 0.01407 -0.09250 0.00075 159 4ZZ 0.02879 -0.01635 0.08813 0.22971 -0.00628 160 4XY -0.12675 0.24424 0.03467 -0.07524 0.01125 161 4XZ -0.04356 0.17132 -0.07093 -0.01110 0.02498 162 4YZ -0.00764 -0.10540 0.00017 -0.09714 0.09735 163 17 H 1S -0.23103 0.05453 0.00019 0.04440 -0.00004 164 2S -0.48216 0.12575 0.00054 -0.00445 -0.00003 165 18 H 1S -0.24469 -0.12868 -0.00065 0.14242 -0.00010 166 2S -0.15169 0.08198 0.00021 0.16885 -0.00017 167 19 O 1S 0.01454 -0.01718 0.00030 0.01508 -0.01367 168 2S 0.05294 -0.18630 -0.11982 0.14210 -0.27647 169 2PX 0.21544 -0.03882 0.30918 -0.07728 0.05401 170 2PY -0.04592 0.02562 0.10728 -0.03023 -0.03016 171 2PZ 0.10993 0.10935 0.23864 -0.01650 0.19736 172 3S -0.51445 0.73172 0.08099 -0.51140 0.78457 173 3PX -0.58241 -0.02556 -0.94736 0.49598 -0.27082 174 3PY -0.07576 0.04446 -0.50097 0.07243 0.00234 175 3PZ -0.39566 -0.27535 -0.86138 0.17983 -0.64942 176 4XX 0.11649 -0.05523 0.01887 0.19813 -0.23076 177 4YY -0.11174 0.05161 0.03182 0.00865 -0.05942 178 4ZZ 0.09469 -0.18512 -0.12868 -0.06387 0.07490 179 4XY 0.06692 -0.09011 0.06541 -0.06204 -0.20194 180 4XZ -0.02397 -0.00047 -0.10046 -0.04666 -0.06401 181 4YZ 0.07706 -0.01168 0.05900 0.12319 0.19158 182 20 H 1S -0.17118 -0.21566 -0.17354 0.02046 -0.00127 183 2S -0.47115 0.11318 -0.39288 0.00431 0.05605 184 21 H 1S -0.17088 -0.21714 0.17165 0.02064 0.00126 185 2S -0.47057 0.10989 0.39356 0.00500 -0.05604 186 22 H 1S -0.00555 -0.04401 -0.14601 -0.04204 -0.15836 187 2S -0.37773 -0.19456 -0.30012 -0.02671 -0.29770 188 23 H 1S -0.00520 -0.04514 0.14567 -0.04178 0.15845 189 2S -0.37728 -0.19683 0.29852 -0.02607 0.29767 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 0.00003 0.03418 0.00419 -0.00385 0.00340 2 2S -0.06195 0.63126 -0.15367 -0.09938 -0.13747 3 2PX 0.05033 0.00822 -0.08898 -0.03802 -0.19639 4 2PY 0.06092 -0.00140 0.08891 0.00148 0.07039 5 2PZ -0.08083 0.14306 -0.10383 -0.05480 -0.03977 6 3S -0.35315 -4.16456 -0.46426 1.29707 -0.48140 7 3PX 0.08007 -1.46202 0.15044 0.99529 0.17946 8 3PY -0.49471 2.49592 -0.54074 0.16317 -0.59547 9 3PZ 0.27230 -2.11380 0.14334 1.13884 0.31835 10 4XX -0.21107 0.12375 0.07429 0.14263 0.17044 11 4YY 0.00849 -0.00992 0.00942 -0.01635 -0.07030 12 4ZZ 0.16863 -0.11320 -0.07828 -0.12414 -0.07485 13 4XY 0.03954 -0.01268 0.09504 -0.01637 -0.42480 14 4XZ 0.00130 0.00789 -0.00432 0.04652 0.09815 15 4YZ 0.03354 0.02759 -0.17961 -0.03397 0.26611 16 2 C 1S -0.00106 -0.00085 -0.03063 0.03113 -0.00608 17 2S 0.01581 -0.20955 -0.35369 0.64126 0.04244 18 2PX 0.04994 -0.19433 -0.06781 0.11833 -0.00952 19 2PY -0.07896 0.06715 -0.03643 -0.04190 -0.03938 20 2PZ -0.00594 -0.09654 0.03729 -0.03273 0.02641 21 3S -0.01964 2.14071 1.31245 -2.40585 -0.17744 22 3PX -0.27393 0.16780 -0.12659 0.12797 -0.23781 23 3PY 0.49241 -1.88799 0.33179 0.76019 0.54512 24 3PZ -0.38695 0.68964 0.03784 0.54782 -0.83997 25 4XX 0.14736 -0.03062 -0.03533 -0.20757 0.05015 26 4YY -0.04474 0.07795 0.03743 0.07438 0.00710 27 4ZZ -0.11631 -0.00315 -0.03372 0.14438 -0.06455 28 4XY -0.01063 -0.03768 -0.25413 -0.00253 -0.01531 29 4XZ 0.10687 -0.01964 0.18618 -0.00473 0.01444 30 4YZ -0.10236 0.14883 0.08574 0.09060 0.06501 31 3 C 1S -0.00877 0.01126 0.02547 0.00801 -0.01520 32 2S -0.07668 0.10886 0.31937 0.14598 -0.17875 33 2PX -0.11631 0.14135 -0.01984 -0.00554 -0.05064 34 2PY -0.01536 0.00998 -0.01876 -0.03491 0.04838 35 2PZ -0.02672 0.05523 0.00838 -0.10765 -0.09699 36 3S 0.60395 -1.66393 -0.92379 0.13079 0.98818 37 3PX 0.27221 -0.75711 0.16035 0.29075 0.03770 38 3PY 0.14061 0.05613 -0.25682 -0.06395 0.19484 39 3PZ -0.15491 0.73113 0.07755 -0.12540 -0.26377 40 4XX -0.08169 0.09660 -0.16000 -0.01248 0.03922 41 4YY -0.02740 0.00418 0.03122 0.01740 0.05399 42 4ZZ 0.09943 -0.10380 0.15502 0.01151 -0.09884 43 4XY 0.16099 -0.02427 0.28769 -0.04551 0.05581 44 4XZ -0.09815 0.01811 -0.20219 0.06222 -0.13133 45 4YZ -0.04301 0.01006 -0.06548 -0.02541 -0.19126 46 4 C 1S -0.00881 -0.01123 0.02546 -0.00801 -0.01517 47 2S -0.07704 -0.10910 0.31943 -0.14575 -0.17837 48 2PX -0.11655 -0.14114 -0.01971 0.00554 -0.05067 49 2PY 0.01542 0.00976 0.01878 -0.03490 -0.04835 50 2PZ -0.02693 -0.05487 0.00830 0.10758 -0.09709 51 3S 0.60877 1.66170 -0.92388 -0.13107 0.98740 52 3PX 0.27332 0.75645 0.15951 -0.29061 0.03770 53 3PY -0.13996 0.05753 0.25728 -0.06408 -0.19491 54 3PZ -0.15631 -0.73092 0.07825 0.12543 -0.26388 55 4XX -0.08192 -0.09638 -0.16003 0.01249 0.03911 56 4YY -0.02743 -0.00406 0.03116 -0.01736 0.05391 57 4ZZ 0.09969 0.10345 0.15509 -0.01154 -0.09862 58 4XY -0.16102 -0.02386 -0.28760 -0.04554 -0.05578 59 4XZ -0.09809 -0.01785 -0.20209 -0.06229 -0.13138 60 4YZ 0.04306 0.00989 0.06549 -0.02529 0.19130 61 5 C 1S -0.00106 0.00078 -0.03063 -0.03115 -0.00606 62 2S 0.01628 0.20853 -0.35364 -0.64138 0.04287 63 2PX 0.05038 0.19398 -0.06788 -0.11831 -0.00944 64 2PY 0.07922 0.06688 0.03655 -0.04191 0.03944 65 2PZ -0.00568 0.09660 0.03728 0.03274 0.02641 66 3S -0.02474 -2.13784 1.31314 2.40639 -0.17869 67 3PX -0.27395 -0.16680 -0.12610 -0.12812 -0.23801 68 3PY -0.49766 -1.88679 -0.33203 0.76041 -0.54553 69 3PZ -0.38867 -0.68848 0.03815 -0.54806 -0.83967 70 4XX 0.14746 0.02999 -0.03523 0.20764 0.05018 71 4YY -0.04505 -0.07784 0.03736 -0.07444 0.00717 72 4ZZ -0.11623 0.00359 -0.03373 -0.14440 -0.06462 73 4XY 0.01037 -0.03765 0.25405 -0.00266 0.01535 74 4XZ 0.10687 0.01943 0.18616 0.00467 0.01450 75 4YZ 0.10275 0.14828 -0.08582 0.09067 -0.06500 76 6 C 1S -0.00005 -0.03417 0.00420 0.00385 0.00339 77 2S -0.06349 -0.63094 -0.15327 0.09938 -0.13750 78 2PX 0.05032 -0.00838 -0.08894 0.03792 -0.19639 79 2PY -0.06090 -0.00118 -0.08887 0.00141 -0.07032 80 2PZ -0.08114 -0.14281 -0.10373 0.05474 -0.03982 81 3S -0.34237 4.16525 -0.46550 -1.29778 -0.48048 82 3PX 0.08379 1.46199 0.15000 -0.99529 0.18008 83 3PY 0.50081 2.49382 0.53969 0.16395 0.59555 84 3PZ 0.27763 2.11304 0.14271 -1.13868 0.31898 85 4XX -0.21140 -0.12295 0.07432 -0.14263 0.17059 86 4YY 0.00854 0.00996 0.00940 0.01632 -0.07035 87 4ZZ 0.16892 0.11245 -0.07828 0.12421 -0.07494 88 4XY -0.03955 -0.01266 -0.09506 -0.01607 0.42475 89 4XZ 0.00128 -0.00775 -0.00427 -0.04649 0.09820 90 4YZ -0.03349 0.02789 0.17962 -0.03413 -0.26616 91 7 H 1S 0.16976 -0.44292 0.09246 0.12975 0.09588 92 2S 0.18513 -0.85267 0.23725 0.35056 0.29630 93 8 H 1S -0.06426 0.25054 -0.19611 0.00854 -0.13870 94 2S -0.21942 0.43225 -0.27296 -0.00665 -0.19649 95 9 H 1S -0.01733 0.18266 0.06168 0.03244 -0.07644 96 2S -0.28439 0.32843 0.15925 -0.17290 -0.09890 97 10 H 1S -0.01769 -0.18240 0.06180 -0.03253 -0.07632 98 2S -0.28519 -0.32793 0.15952 0.17308 -0.09892 99 11 H 1S -0.06506 -0.25077 -0.19622 -0.00862 -0.13874 100 2S -0.22076 -0.43214 -0.27315 0.00664 -0.19659 101 12 H 1S 0.17085 0.44231 0.09229 -0.12970 0.09594 102 2S 0.18715 0.85196 0.23689 -0.35035 0.29650 103 13 C 1S -0.00379 0.01663 0.00717 -0.02111 -0.00046 104 2S 0.00427 -0.08797 0.14040 -0.09078 0.17235 105 2PX 0.01518 0.10447 -0.06916 -0.00590 -0.07966 106 2PY 0.03593 -0.01787 -0.00624 -0.03430 0.05616 107 2PZ 0.01497 -0.08274 0.02823 -0.02018 0.02919 108 3S -0.11277 -0.18967 -0.34507 -0.74552 -0.30797 109 3PX -0.06450 -0.01924 0.08185 -0.98310 0.21262 110 3PY -0.12072 0.28192 -0.09870 0.90161 -0.22920 111 3PZ -0.07434 0.57098 -0.02765 -0.70269 0.03672 112 4XX 0.21520 0.10721 -0.09943 -0.02330 -0.07297 113 4YY -0.00051 0.00408 0.03981 -0.00397 0.03298 114 4ZZ -0.22882 -0.06494 0.04311 -0.06350 0.00142 115 4XY 0.14659 -0.01640 -0.06083 -0.00402 0.02554 116 4XZ -0.02638 -0.04678 0.02054 0.01963 0.01796 117 4YZ -0.19399 -0.04275 0.07856 0.04872 -0.01810 118 14 O 1S -0.00041 -0.00262 -0.00129 -0.05075 0.01117 119 2S -0.04557 0.00000 0.00730 -0.82326 0.14898 120 2PX 0.08867 -0.12811 0.00092 -0.02272 0.03665 121 2PY -0.02570 0.04644 -0.00150 0.19766 -0.05606 122 2PZ -0.02740 -0.03057 0.04200 -0.07311 -0.00269 123 3S 0.09500 -0.03224 -0.00481 2.36666 -0.47634 124 3PX -0.27551 0.39620 -0.05272 0.04323 -0.15554 125 3PY 0.09954 -0.14698 0.02799 -0.79101 0.27426 126 3PZ 0.13946 0.08143 -0.17942 0.16049 -0.03709 127 4XX -0.22368 -0.16243 0.08904 -0.13909 0.05504 128 4YY 0.02321 -0.01323 -0.04504 -0.39742 0.04847 129 4ZZ 0.15874 0.16956 -0.04357 -0.10226 0.01051 130 4XY -0.08469 0.11687 0.01308 -0.03638 -0.01812 131 4XZ 0.08449 0.00770 -0.03144 -0.15585 0.03353 132 4YZ 0.12888 -0.05694 -0.06723 0.03009 -0.01965 133 15 C 1S 0.00074 -0.00003 -0.00743 0.00000 -0.00682 134 2S 0.01641 -0.00031 -0.12543 -0.00008 -0.07197 135 2PX -0.00488 0.00006 0.01573 -0.00003 -0.06208 136 2PY -0.00009 -0.03481 -0.00005 -0.22521 0.00009 137 2PZ 0.03082 -0.00005 -0.04163 -0.00003 -0.01871 138 3S 0.03826 0.00092 0.46513 0.00041 0.66549 139 3PX 0.12279 -0.00043 -0.11295 0.00008 0.01767 140 3PY -0.00055 -0.28288 -0.00020 -0.72636 0.00026 141 3PZ -0.34183 0.00033 0.18419 -0.00015 -0.18305 142 4XX -0.09717 0.00005 0.02631 0.00001 -0.03335 143 4YY 0.02024 -0.00007 0.02671 -0.00002 0.04151 144 4ZZ 0.08013 0.00001 -0.04831 0.00003 -0.00089 145 4XY -0.00006 -0.21191 0.00007 0.06644 -0.00002 146 4XZ 0.03032 -0.00002 -0.04431 0.00003 0.03236 147 4YZ 0.00018 0.27120 0.00000 0.09132 -0.00003 148 16 C 1S -0.00383 -0.01655 0.00715 0.02111 -0.00048 149 2S 0.00454 0.08898 0.14023 0.09088 0.17220 150 2PX 0.01488 -0.10477 -0.06916 0.00587 -0.07966 151 2PY -0.03606 -0.01772 0.00618 -0.03438 -0.05612 152 2PZ 0.01503 0.08289 0.02819 0.02015 0.02917 153 3S -0.11227 0.18757 -0.34387 0.74523 -0.30808 154 3PX -0.06453 0.01923 0.08188 0.98320 0.21189 155 3PY 0.12276 0.28201 0.09990 0.90172 0.22859 156 3PZ -0.07489 -0.57177 -0.02724 0.70297 0.03627 157 4XX 0.21485 -0.10745 -0.09951 0.02316 -0.07300 158 4YY -0.00059 -0.00390 0.03984 0.00395 0.03297 159 4ZZ -0.22850 0.06505 0.04315 0.06364 0.00138 160 4XY -0.14659 -0.01594 0.06086 -0.00413 -0.02555 161 4XZ -0.02634 0.04686 0.02053 -0.01961 0.01798 162 4YZ 0.19403 -0.04299 -0.07856 0.04874 0.01806 163 17 H 1S -0.02909 -0.00001 -0.03791 -0.00006 -0.03859 164 2S -0.02216 0.00006 -0.00245 -0.00010 -0.13444 165 18 H 1S 0.01684 -0.00016 -0.03691 0.00000 -0.03041 166 2S 0.19141 -0.00037 -0.23561 -0.00008 -0.00643 167 19 O 1S -0.00041 0.00258 -0.00128 0.05076 0.01114 168 2S -0.04586 -0.00022 0.00733 0.82334 0.14843 169 2PX 0.08913 0.12802 0.00102 0.02281 0.03665 170 2PY 0.02581 0.04644 0.00153 0.19768 0.05593 171 2PZ -0.02715 0.03069 0.04207 0.07319 -0.00274 172 3S 0.09555 0.03322 -0.00509 -2.36697 -0.47481 173 3PX -0.27689 -0.39647 -0.05296 -0.04344 -0.15549 174 3PY -0.10009 -0.14685 -0.02822 -0.79117 -0.27372 175 3PZ 0.13854 -0.08218 -0.17974 -0.16079 -0.03699 176 4XX -0.22348 0.16254 0.08904 0.13919 0.05496 177 4YY 0.02324 0.01317 -0.04501 0.39742 0.04819 178 4ZZ 0.15832 -0.16983 -0.04356 0.10224 0.01047 179 4XY 0.08477 0.11678 -0.01310 -0.03643 0.01815 180 4XZ 0.08436 -0.00778 -0.03150 0.15581 0.03342 181 4YZ -0.12883 -0.05682 0.06729 0.03023 0.01965 182 20 H 1S -0.01872 0.13085 0.14742 -0.17138 -0.01183 183 2S 0.07842 0.20102 0.12129 -0.03231 -0.03448 184 21 H 1S -0.01891 -0.13079 0.14756 0.17149 -0.01197 185 2S 0.07825 -0.20096 0.12163 0.03238 -0.03457 186 22 H 1S -0.01362 0.10267 0.05898 -0.24376 0.04621 187 2S 0.03303 0.14201 0.06951 -0.38016 0.11101 188 23 H 1S -0.01357 -0.10255 0.05907 0.24377 0.04602 189 2S 0.03329 -0.14206 0.06983 0.38035 0.11070 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 0.00886 0.01621 0.01319 0.00180 0.00714 2 2S 0.08478 0.44151 0.29760 0.04304 0.01894 3 2PX -0.01926 0.14541 0.08119 0.00712 -0.00712 4 2PY 0.03671 -0.02995 0.00642 -0.10093 -0.03034 5 2PZ -0.01440 0.03088 0.01756 -0.01867 -0.04833 6 3S -0.58678 -1.82286 -1.23405 0.06984 -0.30093 7 3PX -0.22993 -1.09011 -0.48658 -0.06744 -0.19703 8 3PY -0.24859 0.85249 0.67224 0.29107 0.08729 9 3PZ -0.11431 -1.25665 -0.61016 -0.08876 -0.08375 10 4XX -0.04513 -0.24388 -0.08626 -0.01697 -0.17765 11 4YY 0.03290 0.01239 -0.00089 -0.09012 -0.00055 12 4ZZ 0.04317 0.20702 0.08504 0.11966 0.20295 13 4XY -0.07909 0.01588 -0.01732 0.12177 0.03218 14 4XZ 0.03927 0.06686 0.03819 -0.04703 -0.02559 15 4YZ -0.04069 0.09581 0.05268 -0.01509 -0.00592 16 2 C 1S -0.06584 0.00888 0.02091 -0.00380 -0.00655 17 2S -0.86138 0.21326 0.24321 0.00585 -0.14053 18 2PX -0.12194 0.04613 0.02962 0.01770 0.00300 19 2PY -0.03392 -0.05603 -0.01736 -0.01746 0.04921 20 2PZ 0.06050 -0.11515 -0.03245 0.09042 -0.03196 21 3S 2.89460 0.69992 -0.02521 0.21346 0.44769 22 3PX 0.56275 -0.18159 -0.19375 0.07346 0.04850 23 3PY 0.24697 -0.40103 -0.29750 -0.31089 -0.56068 24 3PZ 0.09271 0.11805 0.17420 0.12381 -0.11841 25 4XX 0.01476 0.21309 0.09796 0.05642 0.09151 26 4YY -0.05884 -0.01228 0.03552 -0.02372 -0.08414 27 4ZZ -0.01481 -0.20045 -0.09827 -0.01144 0.00680 28 4XY 0.13110 0.18226 0.08474 0.04357 0.02075 29 4XZ -0.08615 0.04663 -0.01104 -0.09246 -0.04634 30 4YZ -0.10426 -0.21154 -0.09608 0.16260 -0.01181 31 3 C 1S 0.02590 0.00193 0.01448 0.01470 0.00476 32 2S 0.33614 0.04596 0.26298 0.19182 0.08393 33 2PX 0.02978 0.06849 0.04864 0.04067 0.00010 34 2PY 0.00504 -0.00558 0.01058 0.07057 -0.04898 35 2PZ 0.05335 -0.03428 -0.02592 -0.06379 -0.05726 36 3S -1.44906 -0.34871 -0.94785 -0.58008 -0.14354 37 3PX 0.02068 -0.41047 -0.21785 -0.11537 0.01434 38 3PY -0.48971 0.20978 0.30305 -0.12988 0.17242 39 3PZ 0.32267 0.20090 0.00161 0.24878 0.19691 40 4XX -0.03716 0.00065 -0.00063 -0.04808 0.08653 41 4YY 0.01470 -0.02183 -0.01093 0.20143 0.05165 42 4ZZ 0.03351 0.01297 0.01292 -0.13256 -0.14717 43 4XY -0.00065 0.05655 0.00546 0.04801 -0.05439 44 4XZ 0.12914 0.07509 0.04101 -0.07495 -0.04507 45 4YZ 0.21144 0.06631 0.06005 0.10789 -0.20437 46 4 C 1S 0.02593 -0.00195 -0.01448 0.01468 0.00466 47 2S 0.33645 -0.04623 -0.26305 0.19157 0.08267 48 2PX 0.02974 -0.06850 -0.04865 0.04068 0.00011 49 2PY -0.00507 -0.00565 0.01055 -0.07056 0.04905 50 2PZ 0.05336 0.03426 0.02590 -0.06375 -0.05717 51 3S -1.45082 0.34996 0.94827 -0.57947 -0.13894 52 3PX 0.02149 0.41023 0.21779 -0.11526 0.01407 53 3PY 0.48955 0.20963 0.30296 0.12983 -0.17168 54 3PZ 0.32315 -0.20138 -0.00170 0.24870 0.19638 55 4XX -0.03703 -0.00069 0.00057 -0.04807 0.08644 56 4YY 0.01483 0.02180 0.01095 0.20147 0.05160 57 4ZZ 0.03327 -0.01290 -0.01288 -0.13263 -0.14707 58 4XY 0.00071 0.05658 0.00544 -0.04798 0.05436 59 4XZ 0.12914 -0.07524 -0.04112 -0.07497 -0.04525 60 4YZ -0.21144 0.06644 0.06014 -0.10783 0.20455 61 5 C 1S -0.06585 -0.00882 -0.02090 -0.00380 -0.00653 62 2S -0.86172 -0.21249 -0.24298 0.00582 -0.14036 63 2PX -0.12203 -0.04605 -0.02961 0.01772 0.00295 64 2PY 0.03378 -0.05601 -0.01734 0.01737 -0.04925 65 2PZ 0.06056 0.11514 0.03245 0.09038 -0.03207 66 3S 2.89527 -0.70243 0.02445 0.21405 0.44622 67 3PX 0.56283 0.18108 0.19354 0.07319 0.04828 68 3PY -0.24596 -0.40147 -0.29767 0.31148 0.56045 69 3PZ 0.09330 -0.11833 -0.17435 0.12369 -0.11876 70 4XX 0.01444 -0.21305 -0.09791 0.05641 0.09142 71 4YY -0.05873 0.01235 -0.03551 -0.02360 -0.08412 72 4ZZ -0.01454 0.20038 0.09821 -0.01155 0.00681 73 4XY -0.13095 0.18250 0.08482 -0.04366 -0.02080 74 4XZ -0.08634 -0.04650 0.01112 -0.09251 -0.04615 75 4YZ 0.10395 -0.21172 -0.09615 -0.16258 0.01172 76 6 C 1S 0.00886 -0.01622 -0.01319 0.00181 0.00715 77 2S 0.08471 -0.44157 -0.29764 0.04330 0.01896 78 2PX -0.01940 -0.14542 -0.08120 0.00716 -0.00718 79 2PY -0.03678 -0.02993 0.00644 0.10089 0.03036 80 2PZ -0.01437 -0.03085 -0.01757 -0.01863 -0.04837 81 3S -0.58775 1.82332 1.23413 0.06823 -0.30096 82 3PX -0.22953 1.09061 0.48685 -0.06819 -0.19702 83 3PY 0.24775 0.85212 0.67212 -0.29152 -0.08717 84 3PZ -0.11417 1.25702 0.61042 -0.08958 -0.08366 85 4XX -0.04478 0.24403 0.08628 -0.01702 -0.17760 86 4YY 0.03282 -0.01246 0.00086 -0.09011 -0.00056 87 4ZZ 0.04291 -0.20712 -0.08502 0.11967 0.20288 88 4XY 0.07917 0.01585 -0.01734 -0.12176 -0.03217 89 4XZ 0.03924 -0.06686 -0.03820 -0.04698 -0.02550 90 4YZ 0.04077 0.09576 0.05267 0.01506 0.00591 91 7 H 1S -0.02226 -0.27175 -0.14152 -0.03411 -0.03785 92 2S 0.01962 -0.52927 -0.24150 -0.09385 -0.04125 93 8 H 1S -0.40064 -0.01162 0.04647 0.09512 0.09156 94 2S -0.42935 0.12559 0.12481 0.08770 0.24741 95 9 H 1S 0.10229 0.11403 0.05488 0.01350 0.05465 96 2S 0.14292 0.01886 0.21779 0.17268 -0.08154 97 10 H 1S 0.10231 -0.11415 -0.05488 0.01333 0.05437 98 2S 0.14281 -0.01873 -0.21784 0.17276 -0.08176 99 11 H 1S -0.40044 0.01185 -0.04640 0.09514 0.09165 100 2S -0.42907 -0.12550 -0.12481 0.08792 0.24745 101 12 H 1S -0.02223 0.27186 0.14158 -0.03425 -0.03785 102 2S 0.01967 0.52937 0.24159 -0.09411 -0.04120 103 13 C 1S 0.04040 -0.01154 -0.02963 0.00004 0.02806 104 2S 0.60421 -0.17858 -0.43702 -0.07024 0.23465 105 2PX -0.05267 0.03007 0.15245 0.05057 -0.06214 106 2PY 0.06552 0.02310 -0.05145 0.06822 0.02266 107 2PZ 0.00408 0.03320 -0.03689 -0.00798 0.05289 108 3S -1.95109 0.16266 1.51100 0.29898 -1.27107 109 3PX -0.02043 -0.73280 -0.44815 0.16664 -0.10954 110 3PY -0.80112 -0.35645 0.20501 -0.04314 -0.70164 111 3PZ -0.31342 -0.42164 -0.50421 0.12480 0.00471 112 4XX -0.13149 0.09406 -0.25047 0.00264 0.10740 113 4YY 0.01158 -0.00610 -0.00873 0.02816 -0.02761 114 4ZZ 0.14558 -0.11794 0.23972 -0.03004 -0.03004 115 4XY 0.13904 -0.06846 0.04769 -0.04202 -0.33944 116 4XZ -0.05058 -0.04507 0.06153 0.05973 -0.19655 117 4YZ -0.14716 0.01676 0.15471 -0.04136 0.13419 118 14 O 1S -0.00354 -0.02179 0.00017 0.05705 -0.00342 119 2S -0.06717 -0.45273 0.05988 0.82001 0.01167 120 2PX 0.13682 0.07068 -0.01650 0.03080 0.04641 121 2PY -0.08830 0.05005 -0.02751 -0.07799 -0.15153 122 2PZ 0.12580 0.05562 -0.10647 -0.02442 0.07603 123 3S 0.23706 1.24071 -0.04632 -2.75076 0.08461 124 3PX -0.73382 -0.35945 0.25334 -0.19614 -0.55457 125 3PY 0.42532 -0.15289 -0.05183 0.89500 0.48548 126 3PZ -0.60165 -0.22857 0.24532 -0.12126 -0.58486 127 4XX 0.00868 -0.20351 0.27274 0.14536 0.00311 128 4YY -0.08099 -0.11502 -0.10887 0.38299 -0.10121 129 4ZZ 0.02452 0.01756 -0.14056 0.03602 0.11405 130 4XY 0.01824 -0.13341 0.15334 0.04212 -0.14749 131 4XZ -0.05821 -0.10990 -0.00993 0.24462 -0.08098 132 4YZ -0.08771 0.15773 -0.29335 -0.06999 -0.05620 133 15 C 1S -0.04133 0.00001 0.00000 -0.05842 -0.02187 134 2S -0.49553 0.00017 -0.00009 -0.84473 -0.20563 135 2PX 0.01205 -0.00001 -0.00001 -0.02715 -0.06459 136 2PY 0.00004 -0.01602 -0.08176 0.00004 0.00006 137 2PZ -0.09207 0.00004 -0.00002 -0.07423 -0.13703 138 3S 2.24345 -0.00077 0.00041 3.62611 1.60242 139 3PX -0.26798 0.00010 -0.00008 -0.60172 -0.20761 140 3PY 0.00010 0.03152 -0.23335 0.00015 0.00009 141 3PZ -0.11180 0.00003 -0.00013 -0.76177 0.11014 142 4XX 0.02131 -0.00002 -0.00002 -0.00163 -0.11156 143 4YY 0.05037 -0.00001 0.00002 0.14106 0.23133 144 4ZZ -0.03712 0.00002 0.00000 -0.11794 -0.09497 145 4XY -0.00004 0.03201 -0.10565 -0.00003 -0.00001 146 4XZ -0.01874 0.00004 0.00000 0.19818 -0.22664 147 4YZ 0.00004 -0.04261 0.13029 0.00004 0.00003 148 16 C 1S 0.04041 0.01150 0.02962 0.00004 0.02804 149 2S 0.60446 0.17811 0.43680 -0.07021 0.23447 150 2PX -0.05273 -0.03005 -0.15245 0.05059 -0.06213 151 2PY -0.06546 0.02312 -0.05150 -0.06819 -0.02256 152 2PZ 0.00401 -0.03318 0.03689 -0.00796 0.05293 153 3S -1.95214 -0.16105 -1.51051 0.29859 -1.27043 154 3PX -0.01999 0.73281 0.44819 0.16627 -0.10981 155 3PY 0.80042 -0.35714 0.20490 0.04267 0.70113 156 3PZ -0.31273 0.42178 0.50440 0.12419 0.00433 157 4XX -0.13150 -0.09398 0.25052 0.00258 0.10734 158 4YY 0.01154 0.00611 0.00870 0.02815 -0.02753 159 4ZZ 0.14566 0.11780 -0.23977 -0.03000 -0.03011 160 4XY -0.13909 -0.06844 0.04779 0.04197 0.33939 161 4XZ -0.05062 0.04515 -0.06149 0.05979 -0.19638 162 4YZ 0.14719 0.01667 0.15471 0.04133 -0.13424 163 17 H 1S -0.23758 0.00009 -0.00002 -0.28522 -0.09793 164 2S -0.17537 0.00005 -0.00003 -0.31566 -0.10291 165 18 H 1S -0.18728 0.00007 -0.00001 -0.12627 -0.17724 166 2S -0.33605 0.00009 -0.00002 -0.33205 -0.27349 167 19 O 1S -0.00354 0.02180 -0.00015 0.05705 -0.00342 168 2S -0.06710 0.45283 -0.05963 0.81992 0.01171 169 2PX 0.13679 -0.07079 0.01651 0.03079 0.04640 170 2PY 0.08826 0.04998 -0.02750 0.07799 0.15156 171 2PZ 0.12575 -0.05568 0.10643 -0.02441 0.07604 172 3S 0.23674 -1.24106 0.04541 -2.75025 0.08467 173 3PX -0.73364 0.36003 -0.25335 -0.19615 -0.55442 174 3PY -0.42509 -0.15264 -0.05207 -0.89486 -0.48531 175 3PZ -0.60152 0.22899 -0.24529 -0.12145 -0.58476 176 4XX 0.00875 0.20347 -0.27272 0.14542 0.00321 177 4YY -0.08102 0.11506 0.10910 0.38288 -0.10133 178 4ZZ 0.02454 -0.01749 0.14051 0.03599 0.11406 179 4XY -0.01820 -0.13342 0.15338 -0.04220 0.14749 180 4XZ -0.05819 0.10997 0.01007 0.24463 -0.08082 181 4YZ 0.08769 0.15767 -0.29336 0.07016 0.05624 182 20 H 1S 0.13103 0.04093 -0.04357 0.00952 0.03376 183 2S 0.13315 0.18516 0.02263 -0.03755 -0.05602 184 21 H 1S 0.13087 -0.04108 0.04353 0.00960 0.03411 185 2S 0.13294 -0.18523 -0.02266 -0.03753 -0.05565 186 22 H 1S 0.16761 -0.00477 -0.34684 -0.04709 0.33507 187 2S 0.33023 -0.10428 -0.44357 0.02295 0.31123 188 23 H 1S 0.16771 0.00461 0.34685 -0.04723 0.33485 189 2S 0.33040 0.10400 0.44354 0.02264 0.31077 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 -0.01122 0.00162 0.00062 -0.01335 0.01747 2 2S -0.12822 -0.04603 0.03929 0.04241 0.13394 3 2PX 0.01443 0.02879 0.06882 0.03658 0.04034 4 2PY 0.00485 0.10435 0.07950 -0.10489 -0.01547 5 2PZ 0.02014 0.05755 0.12894 0.06119 0.05692 6 3S 0.66212 0.03661 0.15300 1.12961 -0.50117 7 3PX 0.42206 -0.01511 0.38282 0.36608 -0.20942 8 3PY -0.18959 -0.11991 -0.49119 -0.44215 -0.04668 9 3PZ 0.38584 -0.05122 0.43268 0.50659 -0.14958 10 4XX 0.00204 -0.02477 0.17811 0.03254 0.00840 11 4YY 0.01890 0.17839 -0.02464 0.12612 0.01572 12 4ZZ 0.02451 -0.15698 -0.15860 -0.13249 0.04040 13 4XY -0.04002 -0.08691 -0.00650 0.05160 -0.00699 14 4XZ -0.11786 -0.10981 -0.22732 -0.01457 -0.28997 15 4YZ 0.01857 -0.01896 0.20116 -0.00363 0.00605 16 2 C 1S -0.02082 0.00894 0.01307 0.01184 -0.00027 17 2S -0.21938 -0.15000 0.42541 -0.02974 -0.08276 18 2PX 0.01549 -0.10630 0.05178 -0.04967 -0.09438 19 2PY -0.08137 0.01626 -0.17800 0.05552 -0.03120 20 2PZ 0.16310 -0.16024 0.07976 -0.02023 -0.01131 21 3S 1.44319 0.16596 -1.04354 -0.80885 0.31478 22 3PX 0.50954 0.19338 0.05058 0.53080 0.05509 23 3PY -0.00159 -0.12668 1.24091 0.64339 -0.40434 24 3PZ 0.64790 0.22884 -0.24932 -0.03695 -0.19182 25 4XX 0.03787 0.00107 0.03388 -0.00861 0.15833 26 4YY -0.00260 -0.04569 -0.07290 0.12223 -0.12107 27 4ZZ 0.01896 0.08845 0.02355 -0.11676 0.04437 28 4XY -0.13116 -0.12424 -0.15878 -0.36417 -0.14627 29 4XZ -0.14276 0.03967 -0.01926 0.33705 -0.15189 30 4YZ -0.03611 -0.24404 0.06029 -0.09700 0.01480 31 3 C 1S 0.12517 -0.00040 -0.00853 -0.00077 -0.00966 32 2S 1.56367 0.14081 -0.14264 -0.27126 -0.08535 33 2PX 0.02243 0.05757 0.02214 0.12185 0.03208 34 2PY 0.06204 -0.22716 0.09261 0.00459 -0.05462 35 2PZ -0.12563 0.09403 0.00635 0.05121 0.02303 36 3S -5.60472 -0.22208 0.62166 0.87228 0.29422 37 3PX -0.03142 -0.14675 -0.25726 -1.41125 -0.03049 38 3PY 0.91695 0.24855 -0.20243 -0.29295 0.22965 39 3PZ 0.81707 0.02733 -0.31853 -0.05393 0.08178 40 4XX 0.02078 0.10456 -0.10932 -0.23056 0.11881 41 4YY -0.02781 -0.30971 -0.03432 -0.03623 -0.07208 42 4ZZ 0.05513 0.19210 0.16321 0.28334 -0.03552 43 4XY -0.00588 -0.11450 0.01458 0.26245 0.02229 44 4XZ 0.08605 0.09072 0.10684 0.01461 -0.06952 45 4YZ 0.13275 -0.16749 0.36412 0.03444 -0.02343 46 4 C 1S -0.12519 -0.00029 -0.00838 0.00080 -0.00964 47 2S -1.56394 0.14215 -0.14066 0.27163 -0.08469 48 2PX -0.02244 0.05763 0.02200 -0.12189 0.03188 49 2PY 0.06201 0.22709 -0.09271 0.00468 0.05460 50 2PZ 0.12579 0.09398 0.00623 -0.05124 0.02293 51 3S 5.60587 -0.22670 0.61393 -0.87356 0.29215 52 3PX 0.03080 -0.14713 -0.25538 1.41139 -0.02829 53 3PY 0.91737 -0.24949 0.20124 -0.29276 -0.23028 54 3PZ -0.81759 0.02790 -0.31757 0.05391 0.08198 55 4XX -0.02103 0.10451 -0.10899 0.23052 0.11910 56 4YY 0.02743 -0.30981 -0.03422 0.03638 -0.07205 57 4ZZ -0.05449 0.19227 0.16281 -0.28349 -0.03587 58 4XY -0.00568 0.11443 -0.01429 0.26270 -0.02193 59 4XZ -0.08586 0.09079 0.10718 -0.01467 -0.06961 60 4YZ 0.13230 0.16723 -0.36441 0.03508 0.02338 61 5 C 1S 0.02083 0.00894 0.01302 -0.01184 -0.00030 62 2S 0.21978 -0.15005 0.42500 0.02932 -0.08293 63 2PX -0.01567 -0.10627 0.05185 0.04978 -0.09433 64 2PY -0.08104 -0.01615 0.17807 0.05530 0.03130 65 2PZ -0.16314 -0.16007 0.07992 0.02011 -0.01120 66 3S -1.44466 0.16646 -1.04001 0.80940 0.31668 67 3PX -0.50912 0.19388 0.05026 -0.53062 0.05444 68 3PY -0.00405 0.12633 -1.23966 0.64400 0.40519 69 3PZ -0.64821 0.22925 -0.24853 0.03790 -0.19180 70 4XX -0.03787 0.00116 0.03395 0.00813 0.15843 71 4YY 0.00264 -0.04582 -0.07299 -0.12195 -0.12126 72 4ZZ -0.01898 0.08852 0.02364 0.11684 0.04449 73 4XY -0.13080 0.12446 0.15845 -0.36450 0.14576 74 4XZ 0.14286 0.03969 -0.01981 -0.33670 -0.15242 75 4YZ -0.03590 0.24410 -0.06020 -0.09690 -0.01497 76 6 C 1S 0.01121 0.00161 0.00062 0.01332 0.01749 77 2S 0.12795 -0.04620 0.03936 -0.04287 0.13387 78 2PX -0.01437 0.02880 0.06886 -0.03681 0.04030 79 2PY 0.00453 -0.10434 -0.07965 -0.10485 0.01526 80 2PZ -0.01998 0.05754 0.12895 -0.06139 0.05682 81 3S -0.66146 0.03788 0.15134 -1.12857 -0.50273 82 3PX -0.42122 -0.01445 0.38245 -0.36606 -0.20993 83 3PY -0.18818 0.12047 0.49027 -0.44259 0.04649 84 3PZ -0.38486 -0.05043 0.43189 -0.50683 -0.15016 85 4XX -0.00174 -0.02478 0.17804 -0.03276 0.00838 86 4YY -0.01877 0.17841 -0.02466 -0.12599 0.01553 87 4ZZ -0.02495 -0.15693 -0.15849 0.13243 0.04059 88 4XY -0.03982 0.08699 0.00660 0.05161 0.00717 89 4XZ 0.11751 -0.10993 -0.22748 0.01539 -0.28997 90 4YZ 0.01836 0.01902 -0.20111 -0.00360 -0.00601 91 7 H 1S 0.12122 0.05670 0.39245 0.13877 0.12572 92 2S 0.17698 -0.00003 0.22503 0.18598 -0.04264 93 8 H 1S -0.13487 0.06209 -0.09437 -0.13473 0.14740 94 2S -0.17841 -0.00713 -0.38271 -0.15256 0.13368 95 9 H 1S 0.43474 0.00242 -0.03730 0.28166 -0.05715 96 2S 0.33048 0.06379 0.15439 0.34543 -0.13390 97 10 H 1S -0.43472 0.00287 -0.03718 -0.28144 -0.05751 98 2S -0.33035 0.06417 0.15434 -0.34535 -0.13449 99 11 H 1S 0.13448 0.06199 -0.09445 0.13470 0.14747 100 2S 0.17741 -0.00730 -0.38264 0.15267 0.13378 101 12 H 1S -0.12061 0.05691 0.39231 -0.13931 0.12558 102 2S -0.17639 0.00030 0.22475 -0.18618 -0.04278 103 13 C 1S 0.00437 0.00094 -0.01068 -0.00722 0.01815 104 2S -0.02507 -0.01281 -0.11727 -0.15438 0.34195 105 2PX 0.00476 -0.01381 -0.05846 0.03452 0.09227 106 2PY 0.10182 0.04658 0.07231 0.00401 0.02097 107 2PZ -0.09579 -0.03142 -0.02684 -0.01822 0.19954 108 3S 0.55934 0.02037 -0.05559 0.62484 -0.43613 109 3PX 0.66896 0.11299 0.00025 0.02071 -0.01794 110 3PY -0.83890 -0.08741 -0.39866 -0.30276 -0.01138 111 3PZ 0.98655 0.07734 0.28680 0.09403 -0.18474 112 4XX -0.00619 0.01907 0.05966 -0.01983 -0.08681 113 4YY -0.01848 0.02049 -0.03282 0.00548 0.11498 114 4ZZ 0.08141 -0.05429 -0.03540 0.03315 -0.06604 115 4XY -0.10615 -0.07390 -0.16381 -0.04431 0.20432 116 4XZ -0.09129 0.07371 -0.11050 0.00145 -0.13700 117 4YZ -0.02611 -0.05059 -0.00494 0.04256 0.26341 118 14 O 1S 0.01605 0.02679 0.00077 0.00054 0.00940 119 2S 0.12762 0.43371 0.07288 -0.01537 0.12953 120 2PX 0.01719 0.01194 -0.05322 0.01838 0.00220 121 2PY 0.04211 -0.02621 -0.06274 0.00853 -0.03892 122 2PZ -0.02562 -0.01219 0.00889 -0.00867 0.05844 123 3S -0.74962 -1.41920 -0.10763 -0.04144 -0.41814 124 3PX 0.02005 -0.14223 -0.02439 0.00798 0.09693 125 3PY 0.13136 0.46519 0.19539 0.00521 0.16543 126 3PZ -0.02617 -0.09732 -0.15987 0.01434 -0.09802 127 4XX -0.00925 0.05152 -0.01733 0.02091 0.00731 128 4YY 0.16027 0.18221 -0.03406 -0.01703 0.08569 129 4ZZ -0.01571 0.03332 0.09926 -0.00427 0.00946 130 4XY 0.02333 0.06686 -0.12537 -0.00408 -0.02790 131 4XZ -0.13648 0.16414 0.01429 -0.05725 -0.07936 132 4YZ 0.05581 -0.10452 0.00209 0.01790 0.15684 133 15 C 1S 0.00000 -0.02977 0.01146 0.00001 -0.03006 134 2S -0.00002 -0.45858 0.14949 0.00005 -0.28463 135 2PX 0.00002 0.02920 -0.09250 0.00002 0.07303 136 2PY 0.10023 -0.00003 -0.00008 0.01890 0.00004 137 2PZ 0.00000 -0.06274 -0.04585 -0.00001 0.02806 138 3S 0.00005 1.87821 0.00898 -0.00046 0.93824 139 3PX -0.00004 -0.31822 0.12493 0.00026 -0.72133 140 3PY 0.19503 -0.00001 -0.00018 -0.01325 0.00005 141 3PZ -0.00007 -0.47317 0.13215 -0.00007 0.04946 142 4XX 0.00000 0.03862 -0.15257 0.00000 0.15350 143 4YY 0.00006 0.15517 0.19578 0.00017 -0.39593 144 4ZZ -0.00006 -0.17952 -0.04509 -0.00018 0.27177 145 4XY -0.09812 0.00004 0.00005 -0.03607 -0.00009 146 4XZ 0.00000 0.05054 -0.12549 -0.00008 0.20777 147 4YZ 0.00608 0.00004 0.00007 0.06809 -0.00008 148 16 C 1S -0.00438 0.00093 -0.01066 0.00721 0.01816 149 2S 0.02511 -0.01290 -0.11722 0.15386 0.34245 150 2PX -0.00488 -0.01380 -0.05844 -0.03459 0.09213 151 2PY 0.10171 -0.04666 -0.07249 0.00406 -0.02090 152 2PZ 0.09577 -0.03151 -0.02693 0.01799 0.19957 153 3S -0.55923 0.02121 -0.05554 -0.62402 -0.43756 154 3PX -0.66875 0.11354 0.00095 -0.02058 -0.01797 155 3PY -0.83855 0.08819 0.39908 -0.30303 0.01139 156 3PZ -0.98662 0.07820 0.28768 -0.09392 -0.18476 157 4XX 0.00615 0.01903 0.05972 0.01997 -0.08685 158 4YY 0.01857 0.02046 -0.03290 -0.00554 0.11512 159 4ZZ -0.08156 -0.05417 -0.03532 -0.03318 -0.06622 160 4XY -0.10623 0.07398 0.16397 -0.04415 -0.20453 161 4XZ 0.09141 0.07367 -0.11059 -0.00119 -0.13707 162 4YZ -0.02592 0.05061 0.00501 0.04273 -0.26331 163 17 H 1S -0.00001 -0.20713 0.07899 -0.00002 -0.03280 164 2S 0.00001 -0.14020 -0.06812 -0.00004 0.20165 165 18 H 1S 0.00005 -0.00292 0.01399 0.00022 -0.36281 166 2S 0.00003 -0.09471 -0.09016 0.00005 -0.08659 167 19 O 1S -0.01604 0.02680 0.00079 -0.00054 0.00938 168 2S -0.12741 0.43377 0.07323 0.01527 0.12939 169 2PX -0.01725 0.01197 -0.05326 -0.01835 0.00222 170 2PY 0.04208 0.02616 0.06271 0.00842 0.03904 171 2PZ 0.02559 -0.01222 0.00890 0.00859 0.05849 172 3S 0.74898 -1.41979 -0.10881 0.04155 -0.41749 173 3PX -0.01992 -0.14221 -0.02432 -0.00796 0.09677 174 3PY 0.13123 -0.46525 -0.19557 0.00547 -0.16551 175 3PZ 0.02631 -0.09741 -0.15998 -0.01407 -0.09818 176 4XX 0.00920 0.05154 -0.01738 -0.02087 0.00732 177 4YY -0.16020 0.18230 -0.03370 0.01699 0.08543 178 4ZZ 0.01582 0.03331 0.09923 0.00421 0.00957 179 4XY 0.02326 -0.06692 0.12526 -0.00420 0.02808 180 4XZ 0.13667 0.16398 0.01423 0.05742 -0.07920 181 4YZ 0.05577 0.10453 -0.00221 0.01808 -0.15675 182 20 H 1S -0.40239 -0.04085 -0.08424 0.20817 -0.09636 183 2S -0.24800 -0.03875 -0.03916 0.39229 -0.06866 184 21 H 1S 0.40221 -0.04115 -0.08499 -0.20791 -0.09671 185 2S 0.24804 -0.03886 -0.04011 -0.39225 -0.06929 186 22 H 1S 0.17719 -0.04778 0.09545 -0.00929 0.26061 187 2S 0.60112 0.10176 0.21653 0.01289 -0.08194 188 23 H 1S -0.17731 -0.04768 0.09557 0.00904 0.26084 189 2S -0.60100 0.10223 0.21709 -0.01296 -0.08176 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 -0.00129 -0.01173 0.00808 0.00054 0.00031 2 2S 0.06128 -0.33212 -0.05907 0.08539 0.04610 3 2PX 0.03100 -0.04515 0.02111 0.05788 0.01260 4 2PY -0.04194 0.10044 0.08230 0.17751 -0.07729 5 2PZ 0.02363 0.00539 0.01668 0.05959 0.00741 6 3S 0.13800 0.61164 -0.13719 -0.17787 -0.20369 7 3PX 0.05610 0.25405 -0.13909 -0.34542 0.05853 8 3PY -0.15319 -0.10524 -0.10886 -0.33951 0.04819 9 3PZ 0.19346 0.21507 -0.02387 -0.46796 0.09403 10 4XX -0.01914 -0.15562 -0.20982 0.10485 0.10954 11 4YY 0.03081 0.21565 0.20244 -0.01504 -0.12322 12 4ZZ 0.00116 -0.14532 0.00749 -0.05822 0.00008 13 4XY 0.03809 0.03264 -0.01399 -0.09661 0.19597 14 4XZ -0.06259 0.12720 -0.14347 0.11627 0.04863 15 4YZ 0.01236 0.14874 0.00676 -0.15033 0.20385 16 2 C 1S 0.00093 0.00088 -0.00048 -0.02240 0.00844 17 2S -0.06240 -0.07428 -0.00419 -0.45078 -0.14172 18 2PX -0.02050 0.03815 -0.06489 -0.04121 0.10318 19 2PY -0.06498 -0.02100 -0.06615 0.15554 0.12440 20 2PZ 0.04862 -0.01928 0.02251 -0.05138 0.06944 21 3S 0.27091 -0.14484 0.11441 1.31337 -0.14249 22 3PX 0.18413 0.20338 0.21439 -0.07927 -0.23875 23 3PY 0.21503 0.34590 -0.24164 0.16956 -0.17795 24 3PZ 0.03377 0.25687 -0.17252 0.13906 -0.16144 25 4XX 0.03815 -0.09735 0.18799 -0.25777 -0.00248 26 4YY -0.10529 -0.03097 -0.08150 0.40752 0.00145 27 4ZZ 0.08161 0.07849 -0.04244 -0.09341 -0.03836 28 4XY -0.04954 -0.01416 -0.29689 0.13424 0.06848 29 4XZ -0.01284 0.25128 -0.01006 -0.11376 0.09532 30 4YZ -0.07512 -0.04729 0.10393 -0.15453 0.06340 31 3 C 1S 0.03184 0.03099 0.00551 0.00094 -0.01537 32 2S 0.31294 -0.12494 -0.24121 -0.14921 -0.04509 33 2PX 0.02999 0.00917 -0.06671 -0.02872 -0.05586 34 2PY -0.00272 0.08249 0.11094 0.10590 -0.05526 35 2PZ -0.01176 0.02291 0.01427 0.08716 0.03090 36 3S -1.12380 -0.29525 0.19055 0.13731 0.32743 37 3PX -0.19265 -0.10183 -0.10130 0.52023 0.16786 38 3PY 0.21089 -0.29201 -0.05819 -0.60677 0.18077 39 3PZ 0.16977 -0.03772 0.05722 -0.36512 -0.12723 40 4XX -0.01098 -0.29050 -0.00254 -0.07563 0.10339 41 4YY -0.02387 0.32146 0.22699 -0.05305 -0.18741 42 4ZZ 0.03319 -0.02370 -0.18615 0.16056 0.08893 43 4XY -0.01944 -0.13206 -0.24615 -0.05101 -0.00582 44 4XZ 0.06171 0.21203 -0.09420 0.16619 -0.05315 45 4YZ -0.00770 -0.04109 0.01623 0.30080 -0.02986 46 4 C 1S -0.03183 0.03103 0.00553 -0.00095 -0.01521 47 2S -0.31315 -0.12479 -0.24046 0.14964 -0.04573 48 2PX -0.03001 0.00932 -0.06666 0.02882 -0.05571 49 2PY -0.00276 -0.08244 -0.11083 0.10612 0.05556 50 2PZ 0.01179 0.02296 0.01395 -0.08719 0.03183 51 3S 1.12409 -0.29613 0.18890 -0.13742 0.32518 52 3PX 0.19253 -0.10283 -0.10228 -0.52022 0.16957 53 3PY 0.21091 0.29173 0.05710 -0.60705 -0.18299 54 3PZ -0.16976 -0.03760 0.05862 0.36505 -0.12955 55 4XX 0.01089 -0.29057 -0.00241 0.07559 0.10337 56 4YY 0.02402 0.32142 0.22712 0.05244 -0.18789 57 4ZZ -0.03326 -0.02360 -0.18648 -0.15996 0.08953 58 4XY -0.01925 0.13196 0.24592 -0.05125 0.00767 59 4XZ -0.06174 0.21226 -0.09455 -0.16617 -0.05212 60 4YZ -0.00760 0.04127 -0.01570 0.30066 0.03046 61 5 C 1S -0.00093 0.00090 -0.00047 0.02239 0.00865 62 2S 0.06227 -0.07412 -0.00374 0.45073 -0.13962 63 2PX 0.02039 0.03814 -0.06483 0.04137 0.10342 64 2PY -0.06494 0.02102 0.06643 0.15541 -0.12415 65 2PZ -0.04865 -0.01932 0.02272 0.05147 0.06869 66 3S -0.27074 -0.14558 0.11373 -1.31324 -0.14925 67 3PX -0.18386 0.20354 0.21473 0.07891 -0.24022 68 3PY 0.21509 -0.34611 0.24210 0.16908 0.17926 69 3PZ -0.03388 0.25697 -0.17280 -0.13905 -0.15906 70 4XX -0.03806 -0.09737 0.18864 0.25763 -0.00299 71 4YY 0.10526 -0.03109 -0.08211 -0.40736 -0.00011 72 4ZZ -0.08163 0.07861 -0.04251 0.09327 -0.03648 73 4XY -0.04937 0.01429 0.29708 0.13366 -0.06828 74 4XZ 0.01284 0.25155 -0.00997 0.11374 0.09546 75 4YZ -0.07506 0.04742 -0.10438 -0.15459 -0.06187 76 6 C 1S 0.00130 -0.01173 0.00809 -0.00055 0.00030 77 2S -0.06138 -0.33199 -0.05933 -0.08511 0.04762 78 2PX -0.03102 -0.04514 0.02096 -0.05784 0.01307 79 2PY -0.04199 -0.10029 -0.08212 0.17773 0.07814 80 2PZ -0.02363 0.00544 0.01653 -0.05956 0.00788 81 3S -0.13805 0.61193 -0.13703 0.17763 -0.20627 82 3PX -0.05619 0.25422 -0.13864 0.34555 0.05877 83 3PY -0.15301 0.10506 0.10853 -0.33972 -0.05134 84 3PZ -0.19345 0.21526 -0.02325 0.46799 0.09405 85 4XX 0.01903 -0.15567 -0.20998 -0.10439 0.10903 86 4YY -0.03070 0.21581 0.20240 0.01461 -0.12254 87 4ZZ -0.00115 -0.14543 0.00765 0.05823 -0.00009 88 4XY 0.03812 -0.03271 0.01409 -0.09669 -0.19704 89 4XZ 0.06250 0.12711 -0.14362 -0.11621 0.04769 90 4YZ 0.01233 -0.14870 -0.00697 -0.15038 -0.20392 91 7 H 1S 0.10297 0.10250 0.07305 -0.19712 0.17331 92 2S 0.07097 0.01803 -0.02621 -0.03615 0.02174 93 8 H 1S 0.00727 -0.00965 0.16392 -0.51617 0.04140 94 2S -0.15105 -0.14774 0.07187 -0.05862 0.06056 95 9 H 1S 0.12392 0.25369 0.17348 -0.12603 -0.08073 96 2S 0.13134 -0.00173 -0.06388 0.03151 -0.07966 97 10 H 1S -0.12377 0.25401 0.17380 0.12578 -0.08079 98 2S -0.13151 -0.00141 -0.06387 -0.03137 -0.07973 99 11 H 1S -0.00722 -0.00952 0.16460 0.51583 0.04360 100 2S 0.15104 -0.14774 0.07191 0.05843 0.06133 101 12 H 1S -0.10291 0.10262 0.07330 0.19717 0.17411 102 2S -0.07096 0.01803 -0.02614 0.03626 0.02124 103 13 C 1S 0.00836 0.01018 -0.00141 0.01408 -0.00138 104 2S 0.12257 0.02923 0.13457 0.13340 0.21457 105 2PX -0.01874 0.08756 -0.07045 -0.06256 0.12006 106 2PY -0.18556 -0.00125 0.00907 0.04384 0.02208 107 2PZ -0.02111 0.05423 -0.04890 0.02421 0.07459 108 3S 0.22243 0.09906 -0.25627 -0.61510 0.16526 109 3PX -0.07285 -0.01365 0.06482 -0.08259 -0.17708 110 3PY -0.80631 0.07377 0.04032 -0.01425 0.29427 111 3PZ 0.63112 0.06505 -0.25082 -0.35352 -0.34514 112 4XX -0.00759 0.04174 -0.13777 0.01665 -0.10825 113 4YY 0.04547 0.02469 0.08116 -0.04663 0.10595 114 4ZZ -0.03299 -0.02748 0.00737 -0.00817 -0.01181 115 4XY 0.27396 0.03981 0.00611 0.03156 -0.09331 116 4XZ -0.17032 -0.17976 0.14919 0.05874 -0.22195 117 4YZ 0.05631 0.13129 -0.22152 -0.02798 -0.22538 118 14 O 1S -0.01508 0.01040 -0.01792 -0.01365 -0.01441 119 2S 0.01773 0.26970 -0.24365 0.03238 0.28752 120 2PX -0.00857 -0.05237 0.06137 0.03507 -0.05814 121 2PY -0.21167 -0.03265 0.02569 -0.07741 -0.09226 122 2PZ 0.05543 -0.00189 -0.07238 0.09216 -0.13675 123 3S 0.17657 -0.76100 0.83169 0.28139 -0.27437 124 3PX 0.05458 0.15200 -0.20869 -0.15317 -0.06865 125 3PY 0.29773 0.19170 -0.27848 0.07098 0.02710 126 3PZ -0.14135 -0.01412 0.20843 -0.18096 0.27716 127 4XX 0.07844 0.05577 -0.05240 -0.00803 -0.03675 128 4YY -0.44199 0.11110 -0.10657 -0.08114 0.07354 129 4ZZ 0.29937 -0.01677 0.01171 0.03818 0.05487 130 4XY -0.24522 -0.00650 0.11411 0.05707 0.15834 131 4XZ 0.17118 -0.00821 -0.07729 0.04333 -0.21493 132 4YZ -0.12701 0.06814 -0.13193 0.02419 -0.12452 133 15 C 1S -0.00001 -0.01995 0.01314 -0.00002 -0.02276 134 2S -0.00013 -0.21819 0.13216 -0.00017 -0.06180 135 2PX 0.00005 0.01871 0.04899 -0.00003 -0.00808 136 2PY -0.04619 -0.00001 0.00007 0.10075 -0.00116 137 2PZ 0.00001 -0.00156 -0.00196 -0.00001 -0.03358 138 3S 0.00031 0.83137 -0.80876 0.00093 0.47130 139 3PX -0.00027 -0.40618 0.51731 -0.00047 0.37572 140 3PY -0.19170 0.00002 0.00001 -0.04591 0.00068 141 3PZ -0.00003 -0.04823 -0.11528 0.00005 -0.39534 142 4XX 0.00009 0.08994 0.10170 -0.00005 0.28097 143 4YY -0.00019 -0.16361 -0.00983 -0.00002 -0.30436 144 4ZZ 0.00012 0.09567 -0.09590 0.00009 0.02635 145 4XY 0.05572 0.00003 0.00009 0.16921 -0.00151 146 4XZ 0.00008 0.10485 -0.11035 0.00010 -0.07874 147 4YZ 0.10777 -0.00005 0.00004 0.09151 -0.00164 148 16 C 1S -0.00834 0.01017 -0.00142 -0.01408 -0.00150 149 2S -0.12225 0.02876 0.13475 -0.13354 0.21069 150 2PX 0.01880 0.08770 -0.07047 0.06269 0.12024 151 2PY -0.18557 0.00131 -0.00896 0.04382 -0.02250 152 2PZ 0.02120 0.05416 -0.04895 -0.02411 0.07388 153 3S -0.22286 0.10128 -0.25633 0.61529 0.17574 154 3PX 0.07282 -0.01352 0.06521 0.08249 -0.17782 155 3PY -0.80623 -0.07287 -0.04000 -0.01408 -0.29261 156 3PZ -0.63154 0.06609 -0.25003 0.35393 -0.34255 157 4XX 0.00750 0.04180 -0.13789 -0.01646 -0.10739 158 4YY -0.04537 0.02477 0.08114 0.04652 0.10523 159 4ZZ 0.03295 -0.02750 0.00750 0.00816 -0.01188 160 4XY 0.27374 -0.03980 -0.00621 0.03156 0.09444 161 4XZ 0.17030 -0.18000 0.14908 -0.05906 -0.22130 162 4YZ 0.05615 -0.13134 0.22153 -0.02830 0.22526 163 17 H 1S -0.00003 -0.05476 -0.13262 0.00006 -0.38087 164 2S 0.00009 0.06044 -0.06755 0.00005 -0.19193 165 18 H 1S -0.00013 -0.16461 0.21636 -0.00018 0.02256 166 2S -0.00001 -0.10734 0.17347 -0.00018 0.12476 167 19 O 1S 0.01509 0.01041 -0.01791 0.01368 -0.01447 168 2S -0.01766 0.26999 -0.24386 -0.03189 0.29002 169 2PX 0.00857 -0.05245 0.06140 -0.03517 -0.05733 170 2PY -0.21164 0.03273 -0.02572 -0.07732 0.09354 171 2PZ -0.05546 -0.00191 -0.07250 -0.09207 -0.13560 172 3S -0.17675 -0.76197 0.83172 -0.28295 -0.27901 173 3PX -0.05452 0.15236 -0.20868 0.15343 -0.06844 174 3PY 0.29765 -0.19198 0.27847 0.07036 -0.02870 175 3PZ 0.14140 -0.01408 0.20867 0.18059 0.27604 176 4XX -0.07846 0.05581 -0.05236 0.00811 -0.03641 177 4YY 0.44210 0.11111 -0.10672 0.08131 0.07373 178 4ZZ -0.29942 -0.01668 0.01180 -0.03814 0.05523 179 4XY -0.24521 0.00658 -0.11390 0.05724 -0.15990 180 4XZ -0.17130 -0.00814 -0.07742 -0.04324 -0.21516 181 4YZ -0.12693 -0.06804 0.13194 0.02405 0.12337 182 20 H 1S -0.09043 0.22363 -0.12174 -0.12717 -0.08376 183 2S 0.01335 -0.03400 -0.02140 -0.28876 0.07793 184 21 H 1S 0.09041 0.22362 -0.12154 0.12720 -0.08470 185 2S -0.01339 -0.03379 -0.02087 0.28868 0.07751 186 22 H 1S 0.36620 0.12213 -0.22684 0.01859 -0.25841 187 2S 0.35114 -0.04418 0.01566 -0.05892 -0.19304 188 23 H 1S -0.36608 0.12230 -0.22665 -0.01819 -0.25928 189 2S -0.35124 -0.04389 0.01605 0.05896 -0.19273 141 142 143 144 145 V V V V V Eigenvalues -- 1.97838 1.98101 2.00053 2.01937 2.04161 1 1 C 1S -0.00028 -0.00208 0.01314 -0.00284 0.01247 2 2S 0.16816 0.20973 0.04693 -0.06052 0.08280 3 2PX 0.04695 0.07252 -0.00721 -0.02298 0.00572 4 2PY -0.10039 -0.07542 -0.11690 -0.01908 -0.06557 5 2PZ 0.04768 0.07106 0.05045 0.02871 0.03874 6 3S -0.34384 -0.16289 -0.65655 0.06043 -0.45276 7 3PX 0.01825 0.05759 -0.13782 0.11140 -0.18127 8 3PY 0.37206 0.35513 0.05175 -0.05154 0.10217 9 3PZ -0.00153 0.00186 -0.09369 0.07999 -0.20325 10 4XX -0.05130 -0.02175 0.08301 0.06098 0.03498 11 4YY 0.05854 0.07507 -0.10656 -0.08429 -0.02096 12 4ZZ -0.01063 -0.04652 0.05055 0.04569 0.01071 13 4XY 0.10986 0.11718 0.24318 0.02837 0.07992 14 4XZ -0.10120 -0.07894 -0.08623 0.00256 -0.14114 15 4YZ 0.01736 -0.05053 0.32328 0.08108 0.12306 16 2 C 1S 0.02233 0.02596 -0.01447 -0.00220 -0.00017 17 2S 0.24162 0.16042 -0.71220 0.00302 -0.31271 18 2PX 0.03070 -0.00222 0.05458 0.04536 -0.01672 19 2PY -0.04076 0.00849 0.15625 0.01487 0.08939 20 2PZ -0.06669 -0.13081 0.08275 0.04346 -0.02940 21 3S -0.70904 -0.76990 1.44960 -0.11382 0.58167 22 3PX -0.14889 -0.12455 -0.01442 -0.00486 -0.12294 23 3PY -0.17962 0.01800 -0.63505 0.17829 -0.64172 24 3PZ 0.23265 0.47833 -0.12735 -0.17861 0.01671 25 4XX -0.02422 -0.15932 0.02149 -0.03446 0.00179 26 4YY -0.19614 -0.07385 -0.15611 0.05891 -0.07022 27 4ZZ 0.19974 0.23599 0.14180 -0.05438 0.11668 28 4XY -0.03856 0.02490 0.10303 -0.07689 -0.00350 29 4XZ 0.01688 0.02126 0.03520 0.07355 -0.00932 30 4YZ -0.14567 -0.26625 0.05110 0.06661 0.00904 31 3 C 1S 0.01802 0.02108 0.01873 -0.00579 0.00656 32 2S -0.03435 -0.17870 0.10136 -0.02139 -0.13098 33 2PX 0.01985 0.00592 0.00913 -0.03796 0.01767 34 2PY -0.03401 -0.02589 -0.06330 0.02079 -0.02105 35 2PZ 0.08594 0.14566 0.05685 -0.00166 0.07399 36 3S -0.33379 -0.09410 -0.61314 0.16370 -0.07777 37 3PX 0.13384 0.39287 0.03447 -0.06040 0.12344 38 3PY 0.28744 0.07745 0.01299 -0.01458 0.08593 39 3PZ -0.17690 -0.39912 0.17314 -0.07529 0.00384 40 4XX 0.01392 -0.06813 -0.03367 0.02156 -0.05656 41 4YY -0.05025 -0.06925 -0.00791 -0.03814 0.05104 42 4ZZ 0.04446 0.16893 0.06954 0.01609 0.03157 43 4XY -0.18349 -0.21506 -0.05176 -0.10348 0.03728 44 4XZ 0.09296 0.20601 0.01135 -0.03185 0.00573 45 4YZ -0.08456 0.00964 -0.10399 0.04266 -0.13141 46 4 C 1S -0.01813 -0.02106 0.01877 -0.00580 0.00656 47 2S 0.03394 0.17869 0.10102 -0.02122 -0.13114 48 2PX -0.02031 -0.00593 0.00920 -0.03797 0.01767 49 2PY -0.03347 -0.02573 0.06335 -0.02084 0.02107 50 2PZ -0.08559 -0.14554 0.05716 -0.00177 0.07410 51 3S 0.33608 0.09362 -0.61366 0.16371 -0.07774 52 3PX -0.13236 -0.39267 0.03476 -0.06067 0.12384 53 3PY 0.28587 0.07727 -0.01336 0.01485 -0.08616 54 3PZ 0.17588 0.39906 0.17255 -0.07498 0.00347 55 4XX -0.01331 0.06777 -0.03382 0.02151 -0.05656 56 4YY 0.04873 0.06909 -0.00810 -0.03807 0.05095 57 4ZZ -0.04347 -0.16837 0.06994 0.01605 0.03167 58 4XY -0.18343 -0.21503 0.05217 0.10332 -0.03711 59 4XZ -0.09335 -0.20597 0.01171 -0.03190 0.00579 60 4YZ -0.08409 0.00989 0.10402 -0.04273 0.13147 61 5 C 1S -0.02225 -0.02594 -0.01440 -0.00222 -0.00016 62 2S -0.24345 -0.16131 -0.71184 0.00291 -0.31264 63 2PX -0.02974 0.00245 0.05453 0.04535 -0.01674 64 2PY -0.04204 0.00807 -0.15628 -0.01491 -0.08940 65 2PZ 0.06729 0.13089 0.08245 0.04352 -0.02949 66 3S 0.70865 0.77065 1.44807 -0.11347 0.58138 67 3PX 0.14663 0.12407 -0.01444 -0.00473 -0.12307 68 3PY -0.17751 0.01876 0.63546 -0.17864 0.64207 69 3PZ -0.23399 -0.47822 -0.12620 -0.17882 0.01698 70 4XX 0.02410 0.15916 0.02127 -0.03444 0.00174 71 4YY 0.19607 0.07380 -0.15634 0.05912 -0.07035 72 4ZZ -0.19991 -0.23588 0.14227 -0.05461 0.11686 73 4XY -0.03933 0.02448 -0.10298 0.07686 0.00342 74 4XZ -0.01605 -0.02110 0.03525 0.07356 -0.00934 75 4YZ -0.14607 -0.26617 -0.05065 -0.06672 -0.00895 76 6 C 1S 0.00029 0.00209 0.01314 -0.00284 0.01247 77 2S -0.16766 -0.20957 0.04752 -0.06075 0.08294 78 2PX -0.04683 -0.07249 -0.00702 -0.02303 0.00576 79 2PY -0.09958 -0.07515 0.11712 0.01897 0.06560 80 2PZ -0.04756 -0.07098 0.05063 0.02865 0.03878 81 3S 0.34158 0.16226 -0.65762 0.06119 -0.45340 82 3PX -0.01773 -0.05740 -0.13786 0.11157 -0.18143 83 3PY 0.37151 0.35491 -0.05292 0.05201 -0.10245 84 3PZ 0.00233 -0.00172 -0.09390 0.08021 -0.20345 85 4XX 0.05243 0.02216 0.08287 0.06098 0.03495 86 4YY -0.05976 -0.07542 -0.10619 -0.08432 -0.02088 87 4ZZ 0.01061 0.04642 0.05033 0.04574 0.01064 88 4XY 0.10786 0.11658 -0.24346 -0.02829 -0.07999 89 4XZ 0.10156 0.07897 -0.08653 0.00264 -0.14123 90 4YZ 0.01520 -0.05125 -0.32326 -0.08110 -0.12301 91 7 H 1S 0.09651 0.05881 0.30273 0.06131 0.12979 92 2S -0.06144 -0.04418 -0.07920 0.02728 -0.10681 93 8 H 1S 0.26689 0.11512 0.07282 -0.05689 0.14400 94 2S 0.08931 0.06318 0.06730 -0.07636 0.16282 95 9 H 1S 0.00087 -0.01224 0.10610 0.03097 0.01854 96 2S 0.01080 -0.11442 0.02930 0.04749 -0.10335 97 10 H 1S -0.00137 0.01240 0.10619 0.03101 0.01850 98 2S -0.01148 0.11444 0.02926 0.04759 -0.10353 99 11 H 1S -0.26643 -0.11503 0.07326 -0.05717 0.14418 100 2S -0.08869 -0.06305 0.06751 -0.07647 0.16298 101 12 H 1S -0.09468 -0.05821 0.30289 0.06123 0.12982 102 2S 0.06154 0.04413 -0.07940 0.02742 -0.10691 103 13 C 1S -0.01320 -0.01668 0.00851 0.00491 0.00220 104 2S -0.43576 -0.27322 -0.04368 0.16480 0.30812 105 2PX 0.00944 0.12701 -0.12070 -0.04870 -0.03442 106 2PY 0.04951 -0.03924 0.09403 -0.20069 -0.19561 107 2PZ -0.08630 0.02029 -0.04848 0.05654 -0.01692 108 3S 1.15817 1.15847 -0.52637 -0.20957 -0.08183 109 3PX -0.05091 -0.25886 0.27753 0.15628 0.01643 110 3PY -0.20472 0.00757 -0.39401 0.09604 0.43784 111 3PZ 0.30593 0.17044 0.07114 0.09121 -0.23697 112 4XX 0.08813 0.08119 -0.09524 0.33027 0.02762 113 4YY -0.07799 0.05444 0.18176 -0.35615 -0.29921 114 4ZZ -0.00895 -0.07446 -0.14902 0.05713 0.28465 115 4XY -0.12935 -0.00574 0.07241 0.12474 -0.02145 116 4XZ 0.08403 -0.09626 0.23358 0.06524 0.17923 117 4YZ 0.01895 0.02352 0.11070 0.25477 -0.18344 118 14 O 1S -0.00913 0.01995 -0.00315 0.02232 0.00280 119 2S 0.28794 0.06987 -0.39959 0.05195 0.17511 120 2PX 0.11820 -0.16849 0.06287 0.24744 0.05474 121 2PY -0.16633 0.14764 0.06932 -0.00236 -0.03525 122 2PZ 0.14141 -0.09002 0.01790 0.08270 0.12263 123 3S -0.50360 -0.48097 0.83478 -0.45846 -0.38159 124 3PX -0.01769 0.37162 -0.07089 -0.42621 -0.07606 125 3PY 0.19432 -0.08753 -0.17945 0.20335 0.08822 126 3PZ -0.14181 0.15413 0.01039 -0.01454 -0.29301 127 4XX 0.05310 -0.08534 0.01654 -0.09483 0.10443 128 4YY 0.00494 0.19267 -0.13291 -0.01319 0.09058 129 4ZZ 0.04012 -0.03382 -0.04854 0.18360 -0.14715 130 4XY 0.19258 -0.03901 -0.06295 0.26877 -0.02663 131 4XZ -0.04099 0.11368 0.08627 0.02816 -0.01749 132 4YZ 0.14749 -0.09420 -0.06437 -0.06520 0.22759 133 15 C 1S -0.00007 0.00000 0.03155 -0.02235 -0.03146 134 2S -0.00019 0.00000 0.08920 0.02836 -0.02697 135 2PX 0.00000 0.00000 0.09465 -0.04566 -0.12537 136 2PY 0.29492 -0.17759 -0.00006 0.00001 0.00004 137 2PZ -0.00004 0.00001 0.03846 -0.15602 -0.01711 138 3S 0.00122 -0.00009 -0.97391 0.82051 0.86576 139 3PX 0.00149 -0.00005 0.03279 0.54399 -0.39830 140 3PY -0.16781 0.13936 0.00002 0.00004 -0.00006 141 3PZ -0.00148 0.00009 0.15118 -0.47346 0.46217 142 4XX 0.00105 -0.00003 -0.04339 0.31220 -0.24928 143 4YY -0.00124 0.00002 0.15804 -0.06863 -0.06592 144 4ZZ 0.00018 -0.00001 -0.12889 -0.19926 0.34013 145 4XY 0.39422 -0.32172 -0.00005 0.00003 0.00008 146 4XZ -0.00022 -0.00003 0.11000 -0.11673 -0.35838 147 4YZ 0.41366 -0.29983 -0.00004 0.00003 -0.00001 148 16 C 1S 0.01319 0.01667 0.00847 0.00491 0.00219 149 2S 0.43727 0.27313 -0.04446 0.16491 0.30804 150 2PX -0.00852 -0.12695 -0.12056 -0.04872 -0.03440 151 2PY 0.04918 -0.03935 -0.09401 0.20067 0.19563 152 2PZ 0.08686 -0.02030 -0.04857 0.05660 -0.01686 153 3S -1.15670 -1.15806 -0.52393 -0.20957 -0.08178 154 3PX 0.04953 0.25878 0.27708 0.15648 0.01620 155 3PY -0.20688 0.00747 0.39406 -0.09574 -0.43802 156 3PZ -0.30871 -0.17051 0.07151 0.09129 -0.23716 157 4XX -0.08918 -0.08135 -0.09507 0.33022 0.02766 158 4YY 0.07911 -0.05423 0.18179 -0.35604 -0.29926 159 4ZZ 0.00871 0.07438 -0.14916 0.05707 0.28466 160 4XY -0.12849 -0.00559 -0.07229 -0.12478 0.02142 161 4XZ -0.08576 0.09615 0.23361 0.06515 0.17928 162 4YZ 0.02079 0.02362 -0.11070 -0.25486 0.18329 163 17 H 1S -0.00136 0.00006 0.16958 -0.50496 0.10687 164 2S -0.00069 0.00002 0.13289 -0.24569 0.04503 165 18 H 1S 0.00015 -0.00005 0.21908 0.19773 -0.60094 166 2S 0.00054 -0.00002 0.00904 0.03178 -0.13656 167 19 O 1S 0.00900 -0.01997 -0.00314 0.02232 0.00280 168 2S -0.28592 -0.06971 -0.39929 0.05196 0.17503 169 2PX -0.11875 0.16835 0.06284 0.24744 0.05471 170 2PY -0.16559 0.14766 -0.06933 0.00237 0.03515 171 2PZ -0.14260 0.08996 0.01794 0.08268 0.12263 172 3S 0.50221 0.48085 0.83396 -0.45851 -0.38145 173 3PX 0.01732 -0.37138 -0.07056 -0.42624 -0.07600 174 3PY 0.19434 -0.08746 0.17942 -0.20344 -0.08802 175 3PZ 0.14421 -0.15402 0.01046 -0.01460 -0.29301 176 4XX -0.05336 0.08543 0.01653 -0.09482 0.10438 177 4YY -0.00448 -0.19258 -0.13274 -0.01325 0.09072 178 4ZZ -0.03974 0.03367 -0.04855 0.18365 -0.14727 179 4XY 0.19146 -0.03888 0.06275 -0.26873 0.02663 180 4XZ 0.03933 -0.11377 0.08635 0.02808 -0.01744 181 4YZ 0.14853 -0.09425 0.06429 0.06516 -0.22752 182 20 H 1S -0.08669 -0.16870 0.05744 -0.08968 0.07405 183 2S -0.02144 -0.12248 0.03647 0.02512 0.02171 184 21 H 1S 0.08615 0.16891 0.05721 -0.08963 0.07398 185 2S 0.02213 0.12256 0.03640 0.02518 0.02159 186 22 H 1S -0.09644 -0.07615 0.16466 0.28131 -0.27927 187 2S 0.04951 -0.07050 0.21029 -0.03582 -0.09311 188 23 H 1S 0.09432 0.07595 0.16441 0.28141 -0.27933 189 2S -0.05099 0.07045 0.21017 -0.03573 -0.09320 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 -0.02420 -0.00767 0.00693 0.00305 0.00496 2 2S -0.50751 -0.37216 -0.10815 0.03795 -0.03583 3 2PX -0.05221 -0.14156 -0.00782 0.00348 0.00816 4 2PY 0.16457 0.05265 0.06212 -0.02748 0.07305 5 2PZ -0.06286 -0.11547 -0.02155 0.00764 0.03323 6 3S 0.61389 0.94819 -0.34873 -0.08703 0.28713 7 3PX 0.36128 0.37275 -0.04480 -0.05093 -0.09303 8 3PY -0.22687 -0.32685 -0.19211 0.08949 -0.22217 9 3PZ 0.36947 0.32225 -0.14518 0.00213 0.13491 10 4XX -0.07827 -0.04204 0.05224 -0.01355 -0.09956 11 4YY 0.24072 -0.11403 0.18203 -0.03696 -0.03309 12 4ZZ -0.22868 0.11384 -0.25449 0.06721 0.18384 13 4XY 0.17206 0.08365 0.04906 0.05175 0.09623 14 4XZ 0.21385 0.18809 -0.15476 0.01425 -0.06077 15 4YZ 0.07716 -0.08042 -0.00151 0.06113 -0.18880 16 2 C 1S -0.00632 0.00566 -0.00620 0.00600 -0.00036 17 2S -0.02708 0.18580 0.02885 -0.13027 0.16847 18 2PX 0.11311 0.10395 0.02679 -0.00504 -0.01200 19 2PY -0.01553 0.04339 -0.03279 0.07842 -0.03847 20 2PZ 0.21728 0.01083 0.02862 -0.00449 0.02000 21 3S -0.13398 -0.69410 0.20314 -0.00866 -0.26049 22 3PX 0.16392 -0.42061 -0.44376 0.05232 0.04422 23 3PY 0.18484 0.14834 -0.35662 -0.25349 0.29804 24 3PZ -0.09338 0.06950 0.07503 -0.06428 -0.18475 25 4XX 0.19719 -0.22897 0.08151 0.02945 -0.14379 26 4YY -0.02416 0.09726 -0.17589 0.06596 0.14421 27 4ZZ -0.20284 0.06135 0.12660 -0.07183 -0.00866 28 4XY -0.04151 0.27313 0.16193 -0.11536 -0.07004 29 4XZ 0.10176 0.19426 -0.08323 0.06196 -0.02306 30 4YZ 0.09036 0.06864 -0.09298 0.06000 0.00263 31 3 C 1S -0.00781 0.01016 0.01554 -0.01200 -0.00445 32 2S 0.42804 0.26068 -0.19539 -0.04655 -0.11292 33 2PX -0.01441 -0.00897 0.02595 -0.02387 -0.03456 34 2PY -0.12056 -0.03418 0.08265 -0.03316 0.02767 35 2PZ -0.09788 -0.05367 0.09484 0.00014 0.00954 36 3S -0.16653 -0.44318 -0.12555 0.24002 0.51303 37 3PX 0.06213 0.09151 0.57233 -0.00772 0.04658 38 3PY 0.21708 0.15914 -0.09739 0.15054 -0.11281 39 3PZ 0.33247 0.00004 -0.17818 0.01217 -0.03824 40 4XX 0.41129 -0.14034 0.15279 0.01575 0.12123 41 4YY -0.21638 0.07226 0.17038 -0.06569 -0.01473 42 4ZZ -0.24209 0.03001 -0.24561 0.02990 -0.07161 43 4XY 0.00439 0.13832 0.42612 -0.10236 -0.10176 44 4XZ 0.03480 -0.05555 0.17108 -0.01768 -0.12119 45 4YZ 0.15238 -0.13882 -0.07740 -0.04709 0.00658 46 4 C 1S -0.00784 -0.01015 0.01554 -0.01200 0.00444 47 2S 0.42771 -0.26097 -0.19537 -0.04662 0.11292 48 2PX -0.01440 0.00897 0.02599 -0.02388 0.03454 49 2PY 0.12061 -0.03427 -0.08260 0.03317 0.02767 50 2PZ -0.09777 0.05371 0.09496 0.00018 -0.00958 51 3S -0.16596 0.44345 -0.12671 0.24014 -0.51284 52 3PX 0.06191 -0.09134 0.57248 -0.00759 -0.04672 53 3PY -0.21690 0.15928 0.09715 -0.15058 -0.11289 54 3PZ 0.33237 -0.00029 -0.17855 0.01214 0.03821 55 4XX 0.41126 0.14016 0.15277 0.01576 -0.12120 56 4YY -0.21628 -0.07205 0.17033 -0.06570 0.01468 57 4ZZ -0.24215 -0.03001 -0.24556 0.02990 0.07160 58 4XY -0.00445 0.13822 -0.42641 0.10254 -0.10167 59 4XZ 0.03460 0.05560 0.17068 -0.01761 0.12132 60 4YZ -0.15235 -0.13879 0.07773 0.04707 0.00662 61 5 C 1S -0.00634 -0.00564 -0.00624 0.00599 0.00037 62 2S -0.02762 -0.18558 0.02816 -0.13035 -0.16849 63 2PX 0.11302 -0.10392 0.02677 -0.00508 0.01196 64 2PY 0.01537 0.04340 0.03264 -0.07844 -0.03851 65 2PZ 0.21722 -0.01089 0.02859 -0.00453 -0.02005 66 3S -0.13262 0.69315 0.20528 -0.00836 0.26034 67 3PX 0.16408 0.42039 -0.44422 0.05237 -0.04400 68 3PY -0.18419 0.14814 0.35832 0.25359 0.29795 69 3PZ -0.09360 -0.06931 0.07515 -0.06431 0.18476 70 4XX 0.19732 0.22887 0.08155 0.02945 0.14378 71 4YY -0.02409 -0.09735 -0.17620 0.06600 -0.14405 72 4ZZ -0.20298 -0.06116 0.12685 -0.07187 0.00850 73 4XY 0.04158 0.27303 -0.16230 0.11541 -0.06998 74 4XZ 0.10172 -0.19418 -0.08320 0.06194 0.02309 75 4YZ -0.09037 0.06870 0.09285 -0.05995 0.00258 76 6 C 1S -0.02419 0.00766 0.00695 0.00305 -0.00496 77 2S -0.50736 0.37210 -0.10809 0.03800 0.03602 78 2PX -0.05222 0.14157 -0.00798 0.00351 -0.00810 79 2PY -0.16457 0.05259 -0.06208 0.02746 0.07314 80 2PZ -0.06287 0.11547 -0.02163 0.00766 -0.03319 81 3S 0.61266 -0.94787 -0.35115 -0.08722 -0.28708 82 3PX 0.36082 -0.37270 -0.04542 -0.05112 0.09293 83 3PY 0.22648 -0.32678 0.19138 -0.08945 -0.22234 84 3PZ 0.36904 -0.32224 -0.14618 0.00201 -0.13498 85 4XX -0.07834 0.04200 0.05238 -0.01364 0.09964 86 4YY 0.24082 0.11406 0.18196 -0.03690 0.03294 87 4ZZ -0.22869 -0.11385 -0.25468 0.06726 -0.18377 88 4XY -0.17194 0.08374 -0.04913 -0.05172 0.09621 89 4XZ 0.21380 -0.18804 -0.15467 0.01421 0.06076 90 4YZ -0.07714 -0.08035 0.00163 -0.06114 -0.18874 91 7 H 1S 0.09193 -0.09762 0.14133 0.02322 -0.04711 92 2S 0.12203 0.14750 -0.03574 -0.01533 0.05362 93 8 H 1S 0.01165 -0.04464 0.16782 0.02309 -0.12667 94 2S -0.10634 0.06177 0.15000 0.08949 -0.03819 95 9 H 1S -0.21133 0.04520 -0.40549 0.05431 -0.05605 96 2S -0.06027 0.05264 0.02608 -0.15336 -0.00851 97 10 H 1S -0.21128 -0.04518 -0.40543 0.05433 0.05614 98 2S -0.06023 -0.05266 0.02619 -0.15350 0.00845 99 11 H 1S 0.01163 0.04471 0.16814 0.02305 0.12658 100 2S -0.10624 -0.06172 0.15035 0.08951 0.03820 101 12 H 1S 0.09189 0.09757 0.14127 0.02319 0.04704 102 2S 0.12190 -0.14749 -0.03609 -0.01536 -0.05366 103 13 C 1S 0.00260 -0.00051 0.00370 0.02931 -0.00925 104 2S 0.02962 -0.33179 0.22723 0.49890 -0.01162 105 2PX -0.07170 0.14982 -0.01851 0.01356 0.02892 106 2PY 0.00540 0.00770 -0.11571 -0.20714 -0.07005 107 2PZ -0.04596 -0.02245 0.03372 0.07223 0.00193 108 3S -0.18155 1.23191 -0.07092 -0.52649 0.67221 109 3PX 0.23757 -0.15646 -0.08348 -0.35558 0.19291 110 3PY -0.15451 -0.12900 0.30701 0.47161 -0.42140 111 3PZ 0.20185 0.63354 -0.20163 -0.40932 0.26751 112 4XX 0.01393 0.06114 0.04919 -0.15268 -0.09905 113 4YY -0.04356 -0.01539 -0.10323 -0.22264 0.06337 114 4ZZ 0.02233 0.09782 0.03673 0.42237 0.03412 115 4XY 0.05154 -0.05825 -0.05422 -0.03060 -0.19494 116 4XZ 0.02496 -0.41789 -0.01231 -0.16810 0.07739 117 4YZ 0.04532 0.00709 -0.01936 -0.00818 0.34122 118 14 O 1S 0.00837 -0.00358 -0.00121 0.01026 0.00637 119 2S 0.02736 0.40730 -0.09755 -0.16421 0.09725 120 2PX 0.02095 -0.12333 0.01848 -0.10028 -0.04294 121 2PY -0.00429 -0.11676 0.03760 0.13013 -0.01733 122 2PZ 0.04384 -0.05934 -0.05920 -0.07367 0.06361 123 3S -0.26023 -0.82598 0.30517 0.11054 -0.36336 124 3PX 0.03724 0.33793 -0.15682 -0.05097 0.24584 125 3PY 0.11368 0.20455 -0.14637 -0.09933 0.13455 126 3PZ -0.12570 0.09420 0.17300 -0.12517 -0.17422 127 4XX 0.13466 0.00350 -0.09130 -0.21679 0.11200 128 4YY 0.02523 0.08758 -0.06107 0.01738 0.00469 129 4ZZ -0.12151 0.04416 0.11962 0.19797 -0.08558 130 4XY -0.09783 0.02216 0.15993 -0.00521 -0.29773 131 4XZ 0.04817 -0.06936 -0.03870 0.05673 0.05775 132 4YZ 0.09331 0.01357 -0.10208 -0.01138 0.24723 133 15 C 1S 0.00181 0.00000 -0.00353 -0.02379 0.00000 134 2S -0.06291 0.00011 0.11869 -0.54525 -0.00001 135 2PX 0.01953 -0.00003 -0.08055 0.08813 0.00002 136 2PY 0.00003 0.09742 0.00003 0.00001 0.02689 137 2PZ 0.00597 -0.00001 -0.03115 0.05960 0.00002 138 3S 0.19890 -0.00017 -0.19470 0.89129 -0.00005 139 3PX -0.36933 0.00032 0.56810 -0.79468 -0.00008 140 3PY -0.00004 -0.07224 0.00005 0.00004 0.03457 141 3PZ 0.29281 -0.00015 -0.40707 -0.46845 0.00008 142 4XX -0.07065 0.00011 0.01217 -0.37019 0.00001 143 4YY 0.05357 -0.00009 0.04685 0.32818 -0.00010 144 4ZZ 0.04975 -0.00003 -0.10219 0.04614 0.00009 145 4XY 0.00000 0.05182 -0.00005 -0.00010 -0.49486 146 4XZ -0.07273 -0.00003 0.18017 0.59064 -0.00010 147 4YZ 0.00002 0.11397 0.00005 0.00006 0.43027 148 16 C 1S 0.00262 0.00049 0.00373 0.02931 0.00925 149 2S 0.03010 0.33161 0.22747 0.49895 0.01150 150 2PX -0.07180 -0.14977 -0.01852 0.01351 -0.02892 151 2PY -0.00542 0.00772 0.11568 0.20712 -0.07009 152 2PZ -0.04592 0.02248 0.03375 0.07227 -0.00196 153 3S -0.18357 -1.23125 -0.07268 -0.52670 -0.67217 154 3PX 0.23760 0.15637 -0.08355 -0.35552 -0.19292 155 3PY 0.15392 -0.12910 -0.30783 -0.47147 -0.42123 156 3PZ 0.20111 -0.63347 -0.20228 -0.40946 -0.26755 157 4XX 0.01383 -0.06098 0.04919 -0.15268 0.09906 158 4YY -0.04355 0.01534 -0.10326 -0.22265 -0.06345 159 4ZZ 0.02233 -0.09792 0.03674 0.42234 -0.03404 160 4XY -0.05161 -0.05827 0.05420 0.03060 -0.19494 161 4XZ 0.02510 0.41779 -0.01222 -0.16797 -0.07745 162 4YZ -0.04529 0.00706 0.01940 0.00807 0.34121 163 17 H 1S 0.11011 -0.00013 -0.08748 0.37361 0.00001 164 2S 0.14948 -0.00010 -0.26593 0.05207 0.00005 165 18 H 1S -0.18796 0.00011 0.31884 0.05095 -0.00005 166 2S -0.11897 0.00007 0.06770 0.04135 0.00001 167 19 O 1S 0.00837 0.00358 -0.00121 0.01026 -0.00638 168 2S 0.02707 -0.40721 -0.09770 -0.16433 -0.09725 169 2PX 0.02102 0.12336 0.01851 -0.10023 0.04293 170 2PY 0.00424 -0.11674 -0.03763 -0.13013 -0.01730 171 2PZ 0.04384 0.05926 -0.05923 -0.07367 -0.06360 172 3S -0.25935 0.82583 0.30567 0.11076 0.36340 173 3PX 0.03692 -0.33793 -0.15699 -0.05109 -0.24579 174 3PY -0.11348 0.20460 0.14654 0.09939 0.13451 175 3PZ -0.12576 -0.09389 0.17305 -0.12517 0.17419 176 4XX 0.13467 -0.00353 -0.09129 -0.21681 -0.11195 177 4YY 0.02519 -0.08759 -0.06111 0.01735 -0.00477 178 4ZZ -0.12159 -0.04408 0.11961 0.19800 0.08560 179 4XY 0.09785 0.02204 -0.15998 0.00518 -0.29767 180 4XZ 0.04814 0.06929 -0.03877 0.05677 -0.05780 181 4YZ -0.09329 0.01362 0.10205 0.01135 0.24718 182 20 H 1S -0.10244 -0.12153 0.36358 -0.08163 0.12639 183 2S -0.02396 0.01788 0.17101 -0.01680 -0.05209 184 21 H 1S -0.10236 0.12168 0.36345 -0.08163 -0.12644 185 2S -0.02386 -0.01782 0.17089 -0.01683 0.05204 186 22 H 1S 0.09719 0.04064 -0.07799 -0.13450 0.14455 187 2S 0.15456 0.04295 -0.09112 -0.18504 0.08758 188 23 H 1S 0.09716 -0.04064 -0.07808 -0.13448 -0.14452 189 2S 0.15443 -0.04308 -0.09130 -0.18502 -0.08757 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 0.00534 -0.02238 0.00026 0.01259 0.02770 2 2S 0.29633 -0.28913 -0.03792 0.17014 0.54291 3 2PX 0.06240 0.02101 -0.01853 -0.03326 0.11270 4 2PY -0.06916 -0.02399 0.03769 0.04659 0.05145 5 2PZ 0.07947 -0.02833 0.01446 0.04478 0.11653 6 3S -0.32478 3.02066 -0.05386 -1.28984 -2.44975 7 3PX -0.23299 0.87968 -0.07280 -0.80724 -1.07102 8 3PY 0.03605 -1.01089 -0.01006 0.62381 0.85827 9 3PZ -0.03791 1.37639 -0.03873 -0.43905 -0.91771 10 4XX -0.14051 -0.20797 -0.13608 -0.32785 -0.16320 11 4YY -0.15654 0.06666 0.10499 -0.06418 0.03716 12 4ZZ 0.28921 0.20369 0.01003 0.34044 0.12972 13 4XY -0.02787 -0.01985 -0.03289 0.34213 0.02165 14 4XZ -0.10424 0.02020 -0.02596 -0.00214 -0.17946 15 4YZ 0.08139 0.06051 0.05742 -0.30648 -0.22872 16 2 C 1S -0.00562 0.03001 -0.00757 -0.00580 -0.01773 17 2S -0.15884 0.63345 -0.02557 -0.14968 -0.21026 18 2PX -0.02935 0.06882 0.00078 -0.06022 -0.14262 19 2PY 0.01448 -0.11304 -0.00629 -0.00792 -0.01620 20 2PZ -0.04412 0.04549 -0.00851 -0.01427 -0.14957 21 3S 0.43965 -2.75568 0.11642 1.10624 1.60850 22 3PX 0.19185 0.53756 0.00403 0.18813 0.05143 23 3PY 0.15288 1.83000 -0.18140 -0.50830 -0.87139 24 3PZ -0.23901 -0.43073 -0.01556 -0.01498 0.25075 25 4XX -0.18968 -0.06230 -0.12260 -0.13276 -0.09731 26 4YY 0.33454 0.21254 -0.07659 0.03797 0.09352 27 4ZZ -0.11969 -0.24649 0.19519 0.14499 0.08940 28 4XY -0.27563 -0.29459 0.03564 -0.05690 -0.13912 29 4XZ 0.10733 0.20844 -0.09803 -0.04924 -0.20256 30 4YZ 0.11955 0.14948 0.08356 0.22460 -0.12000 31 3 C 1S -0.00899 -0.04519 -0.00310 0.00477 -0.00361 32 2S -0.01593 -0.23775 -0.13703 0.32463 -0.38936 33 2PX 0.04412 -0.02992 -0.02812 0.03936 -0.02855 34 2PY 0.02307 -0.00239 -0.01280 -0.05412 0.02496 35 2PZ -0.00955 -0.12410 0.05873 -0.04409 0.13809 36 3S 0.07656 2.46531 0.15519 -0.95036 0.09771 37 3PX -0.00283 -0.42906 0.12912 -0.40330 0.46792 38 3PY -0.03144 -0.59300 0.02623 0.00670 -0.10957 39 3PZ -0.13566 -0.41338 -0.03996 0.34839 0.10712 40 4XX 0.18302 0.12502 -0.03172 -0.22133 0.14633 41 4YY -0.02481 0.09672 -0.04748 0.13074 -0.09743 42 4ZZ -0.18506 -0.22750 0.11086 0.00524 0.02688 43 4XY 0.12647 -0.41855 0.00493 0.10470 0.03562 44 4XZ 0.45758 0.18578 -0.21451 -0.01850 -0.21790 45 4YZ -0.10128 0.11229 0.04530 0.03132 -0.12399 46 4 C 1S -0.00905 0.04516 -0.00306 -0.00478 0.00359 47 2S -0.01615 0.23774 -0.13652 -0.32457 0.39012 48 2PX 0.04406 0.02993 -0.02809 -0.03933 0.02853 49 2PY -0.02301 -0.00252 0.01279 -0.05410 0.02523 50 2PZ -0.00971 0.12393 0.05869 0.04408 -0.13819 51 3S 0.07947 -2.46468 0.15341 0.95039 -0.09805 52 3PX -0.00359 0.42873 0.12918 0.40335 -0.46792 53 3PY 0.03227 -0.59313 -0.02682 0.00681 -0.10958 54 3PZ -0.13657 0.41295 -0.03954 -0.34860 -0.10717 55 4XX 0.18306 -0.12506 -0.03192 0.22148 -0.14620 56 4YY -0.02465 -0.09678 -0.04748 -0.13087 0.09687 57 4ZZ -0.18530 0.22751 0.11100 -0.00530 -0.02667 58 4XY -0.12594 -0.41816 -0.00509 0.10459 0.03516 59 4XZ 0.45754 -0.18523 -0.21452 0.01866 0.21790 60 4YZ 0.10118 0.11244 -0.04536 0.03135 -0.12423 61 5 C 1S -0.00558 -0.02999 -0.00758 0.00580 0.01777 62 2S -0.15825 -0.63349 -0.02576 0.14959 0.21057 63 2PX -0.02932 -0.06890 0.00085 0.06020 0.14279 64 2PY -0.01439 -0.11312 0.00622 -0.00793 -0.01614 65 2PZ -0.04412 -0.04558 -0.00837 0.01424 0.14966 66 3S 0.43656 2.75519 0.11680 -1.10613 -1.60987 67 3PX 0.19237 -0.53667 0.00365 -0.18812 -0.05109 68 3PY -0.15469 1.82932 0.18179 -0.50842 -0.87240 69 3PZ -0.23981 0.43083 -0.01537 0.01477 -0.25109 70 4XX -0.18970 0.06235 -0.12255 0.13251 0.09615 71 4YY 0.33471 -0.21196 -0.07673 -0.03792 -0.09341 72 4ZZ -0.11994 0.24586 0.19526 -0.14476 -0.08837 73 4XY 0.27598 -0.29410 -0.03596 -0.05682 -0.13909 74 4XZ 0.10754 -0.20820 -0.09790 0.04923 0.20196 75 4YZ -0.11991 0.14944 -0.08357 0.22441 -0.12096 76 6 C 1S 0.00532 0.02238 0.00025 -0.01260 -0.02775 77 2S 0.29591 0.28976 -0.03828 -0.17012 -0.54361 78 2PX 0.06236 -0.02084 -0.01869 0.03325 -0.11283 79 2PY 0.06908 -0.02378 -0.03764 0.04656 0.05101 80 2PZ 0.07941 0.02846 0.01434 -0.04474 -0.11638 81 3S -0.32192 -3.02056 -0.05342 1.28985 2.45131 82 3PX -0.23226 -0.87994 -0.07233 0.80730 1.07159 83 3PY -0.03517 -1.01082 0.01030 0.62362 0.85823 84 3PZ -0.03648 -1.37652 -0.03861 0.43922 0.91866 85 4XX -0.14085 0.20825 -0.13580 0.32770 0.16186 86 4YY -0.15660 -0.06723 0.10493 0.06419 -0.03638 87 4ZZ 0.28966 -0.20338 0.00977 -0.34033 -0.12932 88 4XY 0.02778 -0.01993 0.03285 0.34212 0.02174 89 4XZ -0.10415 -0.02014 -0.02583 0.00214 0.17983 90 4YZ -0.08142 0.06060 -0.05745 -0.30649 -0.22920 91 7 H 1S 0.03567 0.08589 0.01516 -0.16549 -0.11651 92 2S -0.05456 0.44747 -0.03309 -0.25758 -0.33512 93 8 H 1S -0.24471 -0.21694 0.06734 0.00605 -0.01333 94 2S -0.10011 -0.41340 0.06025 0.08680 0.18065 95 9 H 1S -0.26145 -0.06706 0.05951 0.20427 -0.07161 96 2S 0.12490 0.01810 -0.17052 0.13582 -0.21270 97 10 H 1S -0.26128 0.06708 0.05961 -0.20446 0.07134 98 2S 0.12503 -0.01803 -0.17056 -0.13575 0.21300 99 11 H 1S -0.24489 0.21651 0.06746 -0.00611 0.01337 100 2S -0.10051 0.41320 0.06035 -0.08688 -0.18107 101 12 H 1S 0.03566 -0.08600 0.01523 0.16547 0.11645 102 2S -0.05415 -0.44751 -0.03300 0.25759 0.33532 103 13 C 1S 0.00917 -0.00587 0.01450 -0.00439 0.03589 104 2S 0.06254 -0.06747 0.41310 -0.33296 0.81736 105 2PX 0.03248 0.02029 0.01624 -0.05086 0.11568 106 2PY 0.01079 0.02206 -0.15945 -0.00248 0.05862 107 2PZ 0.00215 0.04071 0.03549 -0.10887 0.22817 108 3S -0.24833 0.58193 -0.42951 0.88683 -3.33640 109 3PX -0.02461 -0.12293 -0.08140 0.32885 -0.96821 110 3PY -0.10527 -0.24419 0.23449 -0.65662 1.54187 111 3PZ -0.16591 0.03456 -0.40308 0.37877 -1.83911 112 4XX 0.08589 0.02576 0.32998 0.17206 -0.14979 113 4YY 0.02634 -0.01451 -0.20865 -0.01940 -0.02515 114 4ZZ -0.10183 0.01309 -0.14994 -0.10852 0.07821 115 4XY 0.03434 0.03353 0.04765 0.01941 0.00137 116 4XZ 0.00415 -0.14635 -0.16204 0.20580 -0.20422 117 4YZ -0.08956 -0.07228 -0.14668 -0.02116 -0.06602 118 14 O 1S -0.00069 -0.00382 0.01178 0.01387 -0.02469 119 2S -0.02156 0.11118 -0.11459 -0.16133 -0.08523 120 2PX -0.01406 -0.03729 0.00223 0.11127 -0.07195 121 2PY 0.00734 -0.03273 0.05178 0.05842 -0.06713 122 2PZ 0.00966 -0.02404 -0.05038 0.03610 -0.09266 123 3S 0.11277 -0.14873 0.07861 -0.08837 1.26645 124 3PX -0.04679 0.03965 -0.20910 -0.15674 -0.32670 125 3PY 0.01685 0.08062 0.02032 0.01635 -0.15835 126 3PZ -0.04912 0.03890 0.01838 0.01346 0.02198 127 4XX 0.15561 -0.05811 0.44485 0.03000 -0.07647 128 4YY -0.03044 0.00528 -0.04914 -0.04237 -0.07275 129 4ZZ -0.13754 0.06466 -0.35873 0.02551 0.06428 130 4XY -0.02973 0.06693 -0.10011 0.11044 0.04046 131 4XZ -0.03543 -0.02315 -0.13983 0.11871 -0.32504 132 4YZ -0.01274 -0.07510 0.01333 -0.13116 -0.08737 133 15 C 1S -0.00306 0.00000 -0.01733 0.00000 0.00001 134 2S -0.02635 -0.00006 -0.22519 -0.00002 0.00033 135 2PX -0.01466 0.00004 -0.00265 -0.00001 -0.00006 136 2PY -0.00001 0.02985 0.00003 -0.02849 -0.00328 137 2PZ -0.00714 0.00002 -0.00542 -0.00002 -0.00002 138 3S 0.14809 0.00002 0.59235 0.00013 -0.00053 139 3PX -0.09927 -0.00021 -0.38695 -0.00004 0.00049 140 3PY -0.00002 -0.00449 0.00002 0.05829 -0.00061 141 3PZ 0.03679 0.00016 -0.23916 -0.00005 0.00008 142 4XX 0.05832 0.00003 0.22069 0.00000 -0.00034 143 4YY 0.02480 0.00002 0.17277 0.00005 -0.00017 144 4ZZ -0.08581 -0.00003 -0.39343 -0.00005 0.00047 145 4XY -0.00002 0.12317 0.00002 0.12012 0.18059 146 4XZ 0.07832 -0.00003 0.33388 0.00007 -0.00022 147 4YZ 0.00004 -0.11209 0.00004 -0.20549 -0.11515 148 16 C 1S 0.00915 0.00587 0.01446 0.00440 -0.03591 149 2S 0.06241 0.06727 0.41233 0.33311 -0.81806 150 2PX 0.03244 -0.02025 0.01615 0.05089 -0.11570 151 2PY -0.01082 0.02195 0.15952 -0.00245 0.05839 152 2PZ 0.00216 -0.04073 0.03530 0.10890 -0.22819 153 3S -0.24737 -0.58201 -0.42669 -0.88701 3.33718 154 3PX -0.02446 0.12283 -0.08061 -0.32892 0.96858 155 3PY 0.10585 -0.24381 -0.23323 -0.65665 1.54192 156 3PZ -0.16557 -0.03455 -0.40155 -0.37915 1.84024 157 4XX 0.08589 -0.02579 0.33010 -0.17206 0.14919 158 4YY 0.02627 0.01465 -0.20867 0.01940 0.02552 159 4ZZ -0.10176 -0.01317 -0.14997 0.10852 -0.07792 160 4XY -0.03439 0.03345 -0.04763 0.01946 0.00137 161 4XZ 0.00418 0.14630 -0.16180 -0.20575 0.20460 162 4YZ 0.08963 -0.07223 0.14665 -0.02113 -0.06629 163 17 H 1S 0.00468 0.00002 -0.01860 0.00000 0.00007 164 2S 0.02716 0.00011 0.07717 -0.00001 -0.00019 165 18 H 1S 0.04248 -0.00007 0.21634 0.00002 -0.00023 166 2S -0.10819 -0.00006 -0.07881 -0.00002 0.00017 167 19 O 1S -0.00068 0.00381 0.01181 -0.01386 0.02468 168 2S -0.02152 -0.11112 -0.11461 0.16134 0.08558 169 2PX -0.01404 0.03722 0.00233 -0.11128 0.07197 170 2PY -0.00734 -0.03273 -0.05186 0.05842 -0.06705 171 2PZ 0.00969 0.02408 -0.05033 -0.03609 0.09274 172 3S 0.11246 0.14878 0.07765 0.08836 -1.26703 173 3PX -0.04675 -0.03949 -0.20886 0.15670 0.32707 174 3PY -0.01695 0.08059 -0.02038 0.01635 -0.15843 175 3PZ -0.04916 -0.03908 0.01842 -0.01347 -0.02194 176 4XX 0.15557 0.05814 0.44489 -0.02998 0.07562 177 4YY -0.03044 -0.00521 -0.04905 0.04240 0.07280 178 4ZZ -0.13747 -0.06482 -0.35879 -0.02553 -0.06349 179 4XY 0.02974 0.06704 0.10016 0.11043 0.04003 180 4XZ -0.03537 0.02323 -0.13953 -0.11871 0.32528 181 4YZ 0.01277 -0.07515 -0.01331 -0.13115 -0.08716 182 20 H 1S 0.26811 0.19087 -0.11762 -0.03156 0.08328 183 2S -0.02698 0.06599 0.08274 0.08552 -0.11621 184 21 H 1S 0.26835 -0.19079 -0.11772 0.03173 -0.08329 185 2S -0.02704 -0.06616 0.08282 -0.08548 0.11641 186 22 H 1S -0.00905 -0.01743 -0.00123 0.06391 -0.22742 187 2S -0.01744 -0.05162 -0.15376 0.23164 -0.60864 188 23 H 1S -0.00902 0.01746 -0.00109 -0.06396 0.22745 189 2S -0.01735 0.05168 -0.15323 -0.23174 0.60896 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 0.01662 -0.00558 -0.00279 0.03279 0.01162 2 2S 0.20466 -0.04850 -0.02197 0.20603 0.07430 3 2PX 0.04280 0.07419 -0.03292 0.12602 0.00415 4 2PY -0.14724 0.04617 -0.07462 0.16077 0.02602 5 2PZ -0.05263 0.04205 -0.00969 0.08321 0.00894 6 3S -0.49202 1.15377 0.53331 0.60750 -0.43378 7 3PX -0.11142 0.29328 0.32166 0.39709 -0.15581 8 3PY 0.08825 -0.70959 -0.16978 0.16633 -0.10212 9 3PZ -0.24720 0.28097 0.36034 0.42509 -0.10952 10 4XX 0.43945 0.02162 0.22369 0.14463 -0.07982 11 4YY -0.22116 0.03271 0.03909 -0.25382 0.08794 12 4ZZ -0.16247 0.01990 -0.27726 0.13190 -0.01200 13 4XY 0.06918 -0.17701 0.44794 -0.15925 0.02554 14 4XZ -0.12317 -0.08331 -0.11305 -0.29164 -0.14947 15 4YZ -0.15401 -0.04237 -0.19937 0.12944 0.07035 16 2 C 1S -0.01288 0.00981 -0.01344 0.05976 -0.02215 17 2S -0.11770 0.49849 0.39359 1.20397 -0.07056 18 2PX -0.04390 0.06015 0.08590 -0.02549 0.00556 19 2PY 0.03144 -0.14165 -0.11429 -0.20212 -0.03034 20 2PZ -0.01840 0.05725 0.20362 -0.13387 0.04873 21 3S 0.57480 -0.59710 -0.55233 -3.64947 0.75063 22 3PX -0.12471 -0.09679 -0.11134 -0.00949 -0.11030 23 3PY -0.33560 0.76952 0.42864 1.91392 -0.19308 24 3PZ 0.10607 0.00662 0.15128 -0.47527 0.09134 25 4XX 0.39070 -0.17609 0.12077 -0.05086 -0.25155 26 4YY -0.00073 0.20290 -0.14000 -0.05781 0.21193 27 4ZZ -0.38167 -0.08516 -0.12885 -0.08235 0.04053 28 4XY 0.03358 -0.06815 0.11106 0.02357 0.08599 29 4XZ 0.19076 0.00704 0.08913 -0.23938 0.05723 30 4YZ -0.31901 -0.21510 -0.07673 0.14094 -0.09937 31 3 C 1S 0.00910 0.03634 0.01018 -0.08731 0.01625 32 2S -0.14291 0.30683 0.04526 -0.54302 0.09228 33 2PX 0.00441 0.07038 -0.01125 0.00255 0.01844 34 2PY 0.05596 0.08808 0.06829 -0.06162 -0.01351 35 2PZ 0.02292 -0.08782 -0.01362 -0.13766 0.05350 36 3S -0.08397 -0.74550 -0.00257 4.01477 -0.50021 37 3PX -0.06678 -0.12561 0.19951 -0.77286 0.05909 38 3PY -0.01921 0.46706 -0.08525 -0.99639 -0.07756 39 3PZ 0.13330 0.51249 0.12028 -1.13624 0.18611 40 4XX 0.00225 0.41688 0.31060 -0.37371 0.08978 41 4YY 0.18346 -0.17462 -0.12094 0.21756 0.05247 42 4ZZ -0.13445 -0.23385 -0.15788 0.14989 -0.13851 43 4XY -0.13948 0.32187 0.11041 0.11684 0.03284 44 4XZ 0.02794 0.05783 -0.08455 -0.01586 -0.14653 45 4YZ -0.06205 -0.28811 0.41439 0.14866 0.03430 46 4 C 1S 0.00906 -0.03635 -0.01019 0.08719 0.01638 47 2S -0.14205 -0.30693 -0.04538 0.54216 0.09308 48 2PX 0.00445 -0.07044 0.01123 -0.00276 0.01846 49 2PY -0.05584 0.08806 0.06827 -0.06185 0.01343 50 2PZ 0.02236 0.08786 0.01362 0.13731 0.05370 51 3S -0.08135 0.74594 0.00305 -4.01098 -0.50625 52 3PX -0.06837 0.12547 -0.19946 0.77294 0.06021 53 3PY 0.01946 0.46710 -0.08527 -0.99699 0.07595 54 3PZ 0.13220 -0.51255 -0.12061 1.13343 0.18772 55 4XX 0.00173 -0.41712 -0.31075 0.37290 0.09018 56 4YY 0.18394 0.17477 0.12069 -0.21803 0.05218 57 4ZZ -0.13464 0.23395 0.15830 -0.14860 -0.13862 58 4XY 0.14009 0.32199 0.11029 0.11689 -0.03271 59 4XZ 0.02894 -0.05778 0.08471 0.01724 -0.14651 60 4YZ 0.06176 -0.28819 0.41436 0.14918 -0.03388 61 5 C 1S -0.01278 -0.00979 0.01347 -0.05949 -0.02223 62 2S -0.11641 -0.49823 -0.39331 -1.20326 -0.07248 63 2PX -0.04343 -0.06019 -0.08597 0.02544 0.00562 64 2PY -0.03139 -0.14163 -0.11422 -0.20253 0.02999 65 2PZ -0.01802 -0.05729 -0.20372 0.13342 0.04887 66 3S 0.56683 0.59610 0.55124 3.64165 0.75621 67 3PX -0.12448 0.09680 0.11125 0.01049 -0.11021 68 3PY 0.33098 0.76934 0.42850 1.91202 0.19607 69 3PZ 0.10485 -0.00649 -0.15130 0.47505 0.09201 70 4XX 0.39094 0.17612 -0.12079 0.05283 -0.25154 71 4YY -0.00086 -0.20289 0.13969 0.05603 0.21201 72 4ZZ -0.38208 0.08511 0.12916 0.08233 0.04079 73 4XY -0.03387 -0.06830 0.11108 0.02447 -0.08579 74 4XZ 0.19141 -0.00711 -0.08932 0.23869 0.05751 75 4YZ 0.31864 -0.21514 -0.07698 0.13994 0.09957 76 6 C 1S 0.01652 0.00557 0.00277 -0.03289 0.01156 77 2S 0.20276 0.04842 0.02187 -0.20621 0.07403 78 2PX 0.04259 -0.07419 0.03285 -0.12589 0.00399 79 2PY 0.14733 0.04618 -0.07465 0.16100 -0.02578 80 2PZ -0.05295 -0.04207 0.00967 -0.08312 0.00884 81 3S -0.48163 -1.15342 -0.53294 -0.60373 -0.43467 82 3PX -0.10720 -0.29326 -0.32162 -0.39580 -0.15651 83 3PY -0.08446 -0.70951 -0.16970 0.16536 0.10242 84 3PZ -0.24329 -0.28097 -0.36030 -0.42416 -0.11032 85 4XX 0.43987 -0.02165 -0.22371 -0.14414 -0.08019 86 4YY -0.22127 -0.03265 -0.03912 0.25305 0.08839 87 4ZZ -0.16266 -0.01996 0.27726 -0.13165 -0.01213 88 4XY -0.06880 -0.17701 0.44810 -0.15903 -0.02556 89 4XZ -0.12266 0.08335 0.11322 0.29314 -0.14897 90 4YZ 0.15303 -0.04233 -0.19940 0.12996 -0.07021 91 7 H 1S 0.02338 0.00509 0.18315 0.13516 0.11075 92 2S -0.04982 0.19341 0.09156 0.02049 -0.03305 93 8 H 1S -0.02980 -0.21462 0.02778 -0.01622 -0.15600 94 2S 0.11567 -0.17118 -0.11874 -0.36959 0.05424 95 9 H 1S 0.09805 -0.23927 -0.21532 -0.05902 -0.02843 96 2S -0.04200 0.08093 0.02158 0.20924 0.13085 97 10 H 1S 0.09822 0.23952 0.21529 0.05884 -0.02833 98 2S -0.04143 -0.08108 -0.02159 -0.20929 0.13064 99 11 H 1S -0.03001 0.21474 -0.02751 0.01775 -0.15595 100 2S 0.11472 0.17121 0.11874 0.36912 0.05482 101 12 H 1S 0.02382 -0.00515 -0.18329 -0.13618 0.11046 102 2S -0.04837 -0.19336 -0.09155 -0.02025 -0.03314 103 13 C 1S 0.00629 -0.02962 -0.01475 -0.03476 0.00272 104 2S 0.11236 -0.67444 -0.06286 -0.35718 -0.06198 105 2PX -0.00133 -0.02422 0.06266 -0.00341 -0.01801 106 2PY -0.04707 -0.04966 -0.03668 -0.07571 -0.00738 107 2PZ -0.00389 -0.14796 0.03061 -0.01438 -0.01526 108 3S -0.19265 2.73343 0.64397 1.86909 -0.01958 109 3PX -0.07747 0.45860 -0.12511 -0.26805 -0.16598 110 3PY 0.06869 -1.25635 -0.13847 -0.59222 0.04384 111 3PZ -0.15231 1.20169 0.05224 0.40865 0.02879 112 4XX 0.09632 0.22696 0.02320 -0.08748 -0.28050 113 4YY -0.05354 0.02310 0.04598 0.07912 0.03304 114 4ZZ -0.04814 -0.14136 -0.06393 0.03188 0.26994 115 4XY 0.01205 -0.07975 -0.09015 -0.17190 -0.04718 116 4XZ -0.07054 0.02413 -0.06042 -0.10256 0.01948 117 4YZ -0.05590 0.06471 0.06181 0.15490 -0.00559 118 14 O 1S -0.00070 0.01629 0.00067 -0.01017 -0.01358 119 2S -0.09083 0.07087 0.09544 0.11045 -0.05386 120 2PX -0.00615 0.05278 -0.02078 -0.05448 -0.04956 121 2PY 0.02223 0.02578 -0.02713 -0.03279 0.00410 122 2PZ -0.01260 0.02569 -0.02206 0.01994 0.03765 123 3S 0.18136 -0.84521 -0.19589 -0.22136 0.33989 124 3PX -0.06657 0.13225 0.06450 0.21247 0.13772 125 3PY -0.04592 0.16203 0.07935 0.05660 -0.15552 126 3PZ -0.04352 0.05416 0.06395 -0.05578 -0.23240 127 4XX 0.15025 0.03308 -0.03750 -0.22017 -0.18501 128 4YY 0.01097 0.01458 -0.00469 0.03515 0.04268 129 4ZZ -0.17873 0.02768 0.06717 0.15271 0.07318 130 4XY -0.08728 0.09223 0.03312 0.02666 -0.24405 131 4XZ -0.02604 0.17217 -0.04475 0.16065 0.10070 132 4YZ 0.04759 -0.10950 -0.07851 -0.03241 0.35404 133 15 C 1S -0.00230 0.00000 0.00000 -0.00001 0.00405 134 2S -0.17438 0.00003 0.00010 0.00033 -0.01204 135 2PX 0.05154 0.00001 -0.00003 -0.00013 0.03021 136 2PY -0.00002 0.00368 0.01965 -0.01621 -0.00003 137 2PZ 0.02230 0.00002 0.00000 -0.00007 -0.00129 138 3S 0.19980 -0.00020 -0.00017 -0.00012 -0.14555 139 3PX -0.24731 0.00007 0.00016 0.00032 0.04780 140 3PY 0.00001 0.03444 -0.01721 -0.10846 -0.00011 141 3PZ 0.02389 0.00000 -0.00005 -0.00015 0.23892 142 4XX 0.14745 0.00004 -0.00008 0.00028 0.64480 143 4YY 0.08183 0.00001 -0.00002 -0.00005 0.01968 144 4ZZ -0.19894 -0.00006 0.00007 -0.00035 -0.64596 145 4XY 0.00032 0.06844 0.09079 0.15301 0.00016 146 4XZ 0.06421 -0.00003 -0.00001 0.00007 -0.10427 147 4YZ -0.00022 -0.12404 -0.08205 -0.03669 0.00004 148 16 C 1S 0.00618 0.02961 0.01474 0.03472 0.00278 149 2S 0.10972 0.67431 0.06273 0.35750 -0.06131 150 2PX -0.00171 0.02420 -0.06267 0.00325 -0.01801 151 2PY 0.04725 -0.04966 -0.03670 -0.07568 0.00727 152 2PZ -0.00459 0.14794 -0.03062 0.01447 -0.01521 153 3S -0.18148 -2.73310 -0.64364 -1.86878 -0.02280 154 3PX -0.07442 -0.45871 0.12512 0.26811 -0.16545 155 3PY -0.06346 -1.25622 -0.13847 -0.59218 -0.04487 156 3PZ -0.14626 -1.20187 -0.05216 -0.40875 0.02805 157 4XX 0.09679 -0.22697 -0.02311 0.08752 -0.28027 158 4YY -0.05349 -0.02314 -0.04600 -0.07934 0.03291 159 4ZZ -0.04834 0.14143 0.06386 -0.03195 0.26979 160 4XY -0.01202 -0.07972 -0.09015 -0.17191 0.04689 161 4XZ -0.07006 -0.02422 0.06038 0.10252 0.01965 162 4YZ 0.05567 0.06463 0.06175 0.15496 0.00581 163 17 H 1S -0.02664 -0.00003 0.00002 -0.00019 -0.34738 164 2S 0.11133 0.00000 -0.00007 -0.00009 0.17196 165 18 H 1S 0.07233 0.00003 -0.00002 0.00023 0.33263 166 2S -0.08990 0.00007 0.00008 0.00004 -0.28907 167 19 O 1S -0.00063 -0.01630 -0.00068 0.01017 -0.01356 168 2S -0.09041 -0.07090 -0.09540 -0.11028 -0.05400 169 2PX -0.00598 -0.05279 0.02080 0.05449 -0.04947 170 2PY -0.02240 0.02579 -0.02712 -0.03272 -0.00415 171 2PZ -0.01229 -0.02570 0.02204 -0.01991 0.03763 172 3S 0.17713 0.84536 0.19586 0.22110 0.34018 173 3PX -0.06539 -0.13219 -0.06450 -0.21250 0.13736 174 3PY 0.04534 0.16215 0.07936 0.05639 0.15562 175 3PZ -0.04364 -0.05408 -0.06381 0.05578 -0.23227 176 4XX 0.15050 -0.03315 0.03750 0.22031 -0.18454 177 4YY 0.01125 -0.01451 0.00469 -0.03530 0.04273 178 4ZZ -0.17900 -0.02771 -0.06720 -0.15270 0.07270 179 4XY 0.08746 0.09228 0.03302 0.02680 0.24407 180 4XZ -0.02495 -0.17210 0.04475 -0.16068 0.10047 181 4YZ -0.04788 -0.10954 -0.07838 -0.03263 -0.35408 182 20 H 1S -0.00832 -0.12722 0.10416 0.23223 -0.01607 183 2S -0.08665 0.28075 -0.05999 0.08828 0.01999 184 21 H 1S -0.00855 0.12701 -0.10412 -0.23165 -0.01652 185 2S -0.08630 -0.28068 0.06006 -0.08807 0.01992 186 22 H 1S -0.01204 0.15675 -0.01288 -0.00698 -0.11080 187 2S -0.03707 0.40359 -0.02580 0.00610 0.03432 188 23 H 1S -0.01126 -0.15675 0.01291 0.00701 -0.11074 189 2S -0.03512 -0.40366 0.02577 -0.00621 0.03427 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 0.02271 -0.00318 0.00735 -0.00399 0.00818 2 2S 0.09656 0.06926 0.30710 -0.10883 0.07318 3 2PX -0.01322 0.02445 0.06995 -0.07486 -0.03992 4 2PY 0.00980 0.00225 0.00298 -0.03040 -0.07371 5 2PZ -0.00563 0.00904 0.05349 -0.03730 -0.03026 6 3S -0.79875 0.16818 -0.41273 -0.71819 -0.26687 7 3PX -0.29605 0.11891 -0.28542 -0.31734 -0.12888 8 3PY -0.16592 0.05129 0.02286 -0.10353 0.01861 9 3PZ -0.25819 0.17670 -0.13636 -0.37553 -0.06708 10 4XX -0.06609 -0.00704 -0.09881 -0.04648 -0.02811 11 4YY 0.12557 0.01316 0.00116 0.04095 -0.06553 12 4ZZ -0.05602 -0.02216 0.01876 0.00883 0.08417 13 4XY 0.02805 0.08748 0.08448 0.05410 -0.08158 14 4XZ -0.32053 0.02703 -0.11487 0.08590 -0.00729 15 4YZ 0.07936 -0.10162 -0.01050 0.01102 -0.03907 16 2 C 1S -0.05661 0.01409 0.02280 -0.01257 -0.00751 17 2S -0.14946 0.27703 0.29639 -0.67645 -0.02007 18 2PX -0.01068 0.03312 -0.00382 0.00823 -0.03726 19 2PY -0.07983 -0.03914 -0.06421 0.15930 -0.00589 20 2PZ 0.07184 0.04800 -0.08621 -0.03368 -0.02227 21 3S 1.67847 -0.51956 -0.92682 1.33094 0.15570 22 3PX -0.09768 -0.08488 -0.32152 -0.36687 -0.06645 23 3PY -0.42394 0.12743 0.48841 -0.98422 -0.15586 24 3PZ 0.16834 0.24173 -0.24971 -0.14904 -0.07553 25 4XX -0.37541 -0.05325 0.01643 0.11739 0.03211 26 4YY 0.36598 0.02810 -0.03792 -0.00363 -0.18682 27 4ZZ -0.02334 -0.01891 0.00721 0.07036 0.15737 28 4XY 0.17747 -0.01734 -0.06976 -0.04220 -0.02854 29 4XZ 0.17462 0.02672 -0.10190 0.03889 0.09888 30 4YZ -0.21314 -0.08779 0.12822 0.10921 0.05443 31 3 C 1S 0.02623 0.01997 -0.05257 -0.00485 0.00357 32 2S 0.16630 0.23772 -0.42386 -0.09537 -0.24065 33 2PX 0.05138 0.01960 -0.03154 -0.04957 -0.03304 34 2PY -0.04582 0.03117 -0.05658 -0.04512 0.03158 35 2PZ 0.06971 -0.02882 0.01267 0.09529 0.10861 36 3S -0.77808 -0.74698 2.12702 -0.32297 0.06754 37 3PX 0.02678 -0.09964 0.48344 0.90830 0.19670 38 3PY -0.07216 0.27895 -0.64345 0.11158 -0.08491 39 3PZ 0.54222 0.24604 -0.90343 -0.32913 -0.21672 40 4XX 0.16138 0.09302 -0.01386 0.04838 0.08435 41 4YY 0.09049 -0.09083 0.18749 0.10955 0.01260 42 4ZZ -0.25576 -0.03803 -0.15171 -0.14373 -0.00201 43 4XY -0.03617 0.02020 0.32899 0.16401 0.06081 44 4XZ -0.31643 -0.09017 0.41000 0.42680 0.02383 45 4YZ 0.10916 -0.03787 0.06760 -0.10370 0.03732 46 4 C 1S 0.02660 -0.01998 0.05255 0.00482 0.00353 47 2S 0.16864 -0.23781 0.42386 0.09536 -0.24087 48 2PX 0.05141 -0.01963 0.03151 0.04952 -0.03301 49 2PY 0.04554 0.03116 -0.05659 -0.04514 -0.03160 50 2PZ 0.07021 0.02881 -0.01273 -0.09546 0.10859 51 3S -0.79476 0.74739 -2.12670 0.32381 0.06886 52 3PX 0.02963 0.09962 -0.48321 -0.90834 0.19637 53 3PY 0.06775 0.27898 -0.64382 0.11125 0.08542 54 3PZ 0.54729 -0.24624 0.90324 0.32896 -0.21722 55 4XX 0.16257 -0.09302 0.01354 -0.04879 0.08430 56 4YY 0.08958 0.09076 -0.18749 -0.10955 0.01270 57 4ZZ -0.25602 0.03810 0.15201 0.14409 -0.00205 58 4XY 0.03687 0.02015 0.32911 0.16405 -0.06089 59 4XZ -0.31687 0.09032 -0.40982 -0.42645 0.02381 60 4YZ -0.10844 -0.03782 0.06742 -0.10375 -0.03727 61 5 C 1S -0.05684 -0.01407 -0.02279 0.01262 -0.00751 62 2S -0.15420 -0.27696 -0.29625 0.67666 -0.01971 63 2PX -0.01055 -0.03317 0.00383 -0.00812 -0.03737 64 2PY 0.07903 -0.03912 -0.06425 0.15923 0.00602 65 2PZ 0.07239 -0.04805 0.08620 0.03370 -0.02239 66 3S 1.69288 0.51886 0.92628 -1.33249 0.15550 67 3PX -0.09726 0.08491 0.32150 0.36668 -0.06667 68 3PY 0.43147 0.12724 0.48829 -0.98469 0.15553 69 3PZ 0.17054 -0.24178 0.24964 0.14846 -0.07577 70 4XX -0.37529 0.05334 -0.01629 -0.11711 0.03212 71 4YY 0.36617 -0.02822 0.03784 0.00346 -0.18672 72 4ZZ -0.02286 0.01895 -0.00731 -0.07051 0.15715 73 4XY -0.17726 -0.01729 -0.06973 -0.04208 0.02836 74 4XZ 0.17544 -0.02674 0.10180 -0.03915 0.09894 75 4YZ 0.21389 -0.08796 0.12821 0.10910 -0.05459 76 6 C 1S 0.02257 0.00317 -0.00735 0.00396 0.00824 77 2S 0.09573 -0.06934 -0.30702 0.10863 0.07346 78 2PX -0.01366 -0.02448 -0.06990 0.07491 -0.03989 79 2PY -0.00915 0.00226 0.00299 -0.03052 0.07357 80 2PZ -0.00593 -0.00906 -0.05348 0.03729 -0.03024 81 3S -0.80063 -0.16788 0.41271 0.71883 -0.26865 82 3PX -0.29741 -0.11879 0.28542 0.31763 -0.12934 83 3PY 0.16663 0.05134 0.02279 -0.10363 -0.01913 84 3PZ -0.25979 -0.17656 0.13638 0.37585 -0.06750 85 4XX -0.06669 0.00702 0.09889 0.04654 -0.02788 86 4YY 0.12667 -0.01318 -0.00120 -0.04096 -0.06587 87 4ZZ -0.05658 0.02220 -0.01882 -0.00886 0.08427 88 4XY -0.02838 0.08755 0.08442 0.05401 0.08151 89 4XZ -0.31929 -0.02694 0.11494 -0.08567 -0.00765 90 4YZ -0.07882 -0.10158 -0.01049 0.01102 0.03906 91 7 H 1S 0.19071 -0.00543 0.05268 -0.03158 -0.03717 92 2S -0.08709 0.06934 -0.08890 -0.07042 -0.00632 93 8 H 1S -0.32048 0.03206 0.05154 0.09872 0.11058 94 2S 0.12231 -0.03064 -0.11492 0.25479 0.02793 95 9 H 1S 0.07900 0.01586 -0.46439 -0.31693 -0.11700 96 2S -0.05405 0.09438 0.07211 -0.10224 0.06651 97 10 H 1S 0.07957 -0.01589 0.46438 0.31686 -0.11707 98 2S -0.05500 -0.09445 -0.07214 0.10226 0.06674 99 11 H 1S -0.32042 -0.03193 -0.05147 -0.09855 0.11048 100 2S 0.12376 0.03054 0.11495 -0.25486 0.02781 101 12 H 1S 0.19008 0.00535 -0.05269 0.03153 -0.03702 102 2S -0.08715 -0.06928 0.08891 0.07055 -0.00652 103 13 C 1S 0.00834 0.01126 0.00394 0.01697 0.03375 104 2S -0.12611 -0.51016 0.11072 0.54573 0.01613 105 2PX 0.03148 -0.09575 0.00961 0.06935 -0.22956 106 2PY 0.02401 0.16255 0.01933 -0.01110 -0.15522 107 2PZ -0.03397 -0.09468 0.07560 0.10305 -0.09654 108 3S -0.04550 0.01797 -0.83464 -1.62266 -0.72290 109 3PX 0.02307 -0.66293 -0.75490 0.05479 -0.40313 110 3PY -0.08056 0.40202 0.73918 0.67761 0.21215 111 3PZ 0.01370 0.27180 -0.74615 -0.52685 -0.53818 112 4XX 0.10240 -0.29374 0.01520 -0.30047 -0.09033 113 4YY 0.04533 -0.23432 -0.00363 0.03077 0.09026 114 4ZZ -0.07569 0.62798 -0.04116 0.17397 0.03610 115 4XY 0.03071 0.29751 0.31650 -0.32422 0.04145 116 4XZ -0.03668 0.02314 -0.13631 0.14558 -0.39508 117 4YZ 0.02734 -0.11529 -0.23718 0.26313 -0.00600 118 14 O 1S 0.00137 -0.00299 -0.02145 -0.00521 -0.06143 119 2S -0.08073 -0.21696 -0.01904 0.11455 -0.92389 120 2PX 0.02041 -0.00671 -0.06427 -0.05075 -0.01494 121 2PY 0.01412 0.08674 -0.00863 -0.02708 0.08657 122 2PZ -0.02202 0.05664 0.02613 -0.01070 -0.02237 123 3S 0.11489 0.43897 0.63196 0.06589 3.05712 124 3PX -0.05045 0.10934 0.04515 0.01809 -0.25909 125 3PY -0.05131 -0.32728 -0.19771 0.05730 -1.28059 126 3PZ 0.09502 -0.24641 -0.10318 -0.03738 -0.01309 127 4XX 0.02404 -0.38467 0.11894 -0.26091 -0.22176 128 4YY 0.04363 0.12822 0.07777 -0.08048 0.37413 129 4ZZ -0.05971 0.21922 -0.31355 0.30756 -0.42536 130 4XY 0.11142 0.02707 -0.05747 -0.04569 0.09099 131 4XZ -0.00726 0.23575 -0.05997 -0.03264 0.31722 132 4YZ -0.20524 0.24648 0.16022 -0.04141 -0.09788 133 15 C 1S 0.01004 -0.00001 0.00001 -0.00001 0.07428 134 2S -0.17439 0.00003 0.00000 0.00015 -0.43897 135 2PX 0.08382 -0.00003 0.00005 -0.00007 0.37889 136 2PY -0.00005 -0.08065 -0.00675 0.02808 -0.00005 137 2PZ 0.05889 -0.00003 0.00007 -0.00006 0.41718 138 3S -0.06266 0.00009 -0.00049 0.00013 -2.14700 139 3PX -0.11053 -0.00002 0.00023 0.00004 0.79016 140 3PY -0.00023 -0.05022 -0.12135 0.02705 -0.00003 141 3PZ 0.03608 -0.00009 0.00014 -0.00006 0.57051 142 4XX -0.36905 -0.00002 0.00011 0.00009 0.10364 143 4YY 0.01285 0.00001 -0.00009 0.00000 0.02703 144 4ZZ 0.41652 0.00000 -0.00002 -0.00014 0.04160 145 4XY 0.00034 0.03659 -0.16066 0.09172 0.00008 146 4XZ -0.04251 0.00005 -0.00017 0.00006 -0.56707 147 4YZ -0.00016 0.00438 0.31427 -0.17745 -0.00007 148 16 C 1S 0.00847 -0.01127 -0.00394 -0.01699 0.03374 149 2S -0.12477 0.51021 -0.11100 -0.54573 0.01601 150 2PX 0.03148 0.09576 -0.00970 -0.06935 -0.22955 151 2PY -0.02426 0.16255 0.01933 -0.01109 0.15526 152 2PZ -0.03394 0.09474 -0.07566 -0.10303 -0.09649 153 3S -0.05210 -0.01779 0.83474 1.62292 -0.72256 154 3PX 0.02453 0.66293 0.75477 -0.05465 -0.40351 155 3PY 0.07865 0.40196 0.73908 0.67747 -0.21201 156 3PZ 0.01246 -0.27174 0.74642 0.52718 -0.53842 157 4XX 0.10297 0.29380 -0.01530 0.30038 -0.09027 158 4YY 0.04507 0.23431 0.00380 -0.03091 0.09030 159 4ZZ -0.07607 -0.62807 0.04117 -0.17379 0.03603 160 4XY -0.03147 0.29753 0.31647 -0.32415 -0.04151 161 4XZ -0.03629 -0.02307 0.13625 -0.14555 -0.39516 162 4YZ -0.02656 -0.11504 -0.23721 0.26317 0.00611 163 17 H 1S 0.21980 0.00001 -0.00006 -0.00007 -0.01726 164 2S -0.01285 -0.00002 0.00001 -0.00003 0.04486 165 18 H 1S -0.23304 0.00000 0.00007 0.00007 0.09795 166 2S 0.09431 0.00005 -0.00001 -0.00003 0.06373 167 19 O 1S 0.00142 0.00300 0.02142 0.00521 -0.06144 168 2S -0.08116 0.21704 0.01876 -0.11432 -0.92391 169 2PX 0.02068 0.00672 0.06426 0.05075 -0.01495 170 2PY -0.01423 0.08676 -0.00863 -0.02705 -0.08656 171 2PZ -0.02212 -0.05664 -0.02612 0.01072 -0.02237 172 3S 0.11541 -0.43928 -0.63092 -0.06649 3.05736 173 3PX -0.05134 -0.10935 -0.04514 -0.01800 -0.25908 174 3PY 0.05141 -0.32744 -0.19732 0.05704 1.28064 175 3PZ 0.09541 0.24640 0.10310 0.03738 -0.01286 176 4XX 0.02519 0.38474 -0.11909 0.26091 -0.22169 177 4YY 0.04340 -0.12835 -0.07774 0.08036 0.37412 178 4ZZ -0.06042 -0.21911 0.31350 -0.30743 -0.42546 179 4XY -0.11130 0.02711 -0.05743 -0.04563 -0.09107 180 4XZ -0.00802 -0.23581 0.06011 0.03260 0.31720 181 4YZ 0.20519 0.24650 0.16006 -0.04143 0.09805 182 20 H 1S -0.13289 0.02075 -0.28834 -0.42937 0.03837 183 2S -0.06026 0.07883 -0.13394 -0.20620 0.15174 184 21 H 1S -0.13355 -0.02072 0.28834 0.42944 0.03840 185 2S -0.06043 -0.07878 0.13394 0.20615 0.15177 186 22 H 1S 0.05350 -0.23431 -0.20466 -0.01257 0.01944 187 2S 0.02908 -0.00316 -0.36668 -0.13975 -0.19920 188 23 H 1S 0.05361 0.23425 0.20466 0.01254 0.01937 189 2S 0.02920 0.00311 0.36673 0.13978 -0.19933 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 0.03653 0.09124 -0.00239 0.05513 -0.02317 2 2S -0.07572 0.29580 -0.03107 0.06315 0.08113 3 2PX -0.27701 -0.11484 -0.01122 -0.02739 0.16221 4 2PY -0.27520 0.18525 -0.12237 0.22627 0.03220 5 2PZ -0.20691 -0.07057 -0.02518 -0.04384 0.16303 6 3S -0.96273 -4.83426 0.18288 -2.07839 0.96160 7 3PX -0.41390 -1.32165 -0.09869 -0.44475 0.33896 8 3PY -0.05183 1.45837 -0.45469 0.74826 0.40108 9 3PZ -0.39134 -1.40701 -0.32131 -0.36318 0.28890 10 4XX -0.07558 0.19368 0.09701 0.37309 0.12828 11 4YY -0.08993 -0.44859 0.24060 -0.44638 -0.20667 12 4ZZ 0.16435 0.23931 -0.26473 0.09945 0.19644 13 4XY -0.31765 0.10301 -0.11044 0.11640 0.10378 14 4XZ -0.24123 -0.46356 -0.11113 -0.17182 0.39645 15 4YZ -0.24341 0.23611 -0.32442 -0.27789 0.13954 16 2 C 1S -0.05664 -0.05182 -0.01610 0.00464 -0.00421 17 2S 0.00722 -0.62631 -0.01428 -0.19463 -0.06752 18 2PX -0.18052 -0.13241 -0.07432 -0.14008 0.18708 19 2PY -0.15215 0.03967 -0.04987 0.03577 0.06794 20 2PZ -0.10576 -0.11430 -0.06722 -0.11894 0.26213 21 3S 1.49368 3.28161 0.56768 0.84978 -0.13163 22 3PX -0.29028 -0.49616 -0.24042 -0.09076 0.61770 23 3PY -0.66709 -1.76820 -0.22753 -0.50823 0.02267 24 3PZ -0.09924 -0.14127 0.18667 -0.09800 0.86652 25 4XX 0.03654 -0.08725 0.19028 0.30000 -0.21488 26 4YY -0.39026 0.18179 0.02108 0.13588 -0.24619 27 4ZZ 0.29652 -0.00328 -0.14543 -0.33913 0.40004 28 4XY 0.19802 0.21174 0.07108 0.08538 -0.43685 29 4XZ 0.63515 0.23489 0.05616 0.08712 -0.03775 30 4YZ 0.18469 0.10313 -0.17791 -0.03005 -0.52115 31 3 C 1S 0.02346 0.02591 -0.04801 0.00133 0.04187 32 2S 0.03986 -0.03626 -0.01581 0.28968 -0.04348 33 2PX 0.04960 0.01443 -0.02155 0.00961 0.06553 34 2PY -0.11852 0.01562 -0.20955 0.01887 -0.08283 35 2PZ 0.11416 0.11237 0.02072 -0.06823 0.18467 36 3S -0.49005 -1.44584 0.82925 -0.89813 -0.80288 37 3PX -0.03147 0.28930 0.31661 -0.25686 0.07240 38 3PY 0.04175 0.42377 -0.69457 0.43105 -0.20216 39 3PZ 0.33171 0.32337 0.11544 0.22058 0.46018 40 4XX 0.20413 0.12016 -0.36899 -0.12555 0.22804 41 4YY -0.04523 -0.07531 0.65249 -0.02159 0.13047 42 4ZZ -0.11227 0.03902 -0.40757 0.03165 -0.29286 43 4XY -0.00312 -0.01512 -0.08522 -0.16061 0.07836 44 4XZ 0.00045 0.04236 -0.02762 0.13427 -0.16346 45 4YZ 0.20616 -0.04413 -0.11811 -0.32936 0.25640 46 4 C 1S 0.02343 -0.02592 0.04809 -0.00079 0.04179 47 2S 0.04006 0.03615 0.01572 -0.29034 -0.03984 48 2PX 0.04962 -0.01448 0.02171 -0.00876 0.06566 49 2PY 0.11859 0.01556 -0.20935 0.01988 0.08282 50 2PZ 0.11407 -0.11239 -0.02040 0.07065 0.18370 51 3S -0.48938 1.44622 -0.83087 0.88792 -0.81209 52 3PX -0.03172 -0.28939 -0.31643 0.25780 0.06937 53 3PY -0.04158 0.42391 -0.69426 0.43374 0.19749 54 3PZ 0.33184 -0.32356 -0.11462 -0.21476 0.46295 55 4XX 0.20378 -0.12024 0.36949 0.12848 0.22568 56 4YY -0.04486 0.07533 -0.65224 0.02340 0.13117 57 4ZZ -0.11243 -0.03897 0.40698 -0.03553 -0.29291 58 4XY 0.00311 -0.01520 -0.08529 -0.16165 -0.07611 59 4XZ 0.00014 -0.04225 0.02736 -0.13641 -0.16195 60 4YZ -0.20603 -0.04401 -0.11895 -0.33259 -0.25172 61 5 C 1S -0.05661 0.05185 0.01605 -0.00470 -0.00414 62 2S 0.00760 0.62636 0.01418 0.19375 -0.06967 63 2PX -0.18044 0.13253 0.07450 0.14248 0.18518 64 2PY 0.15224 0.03955 -0.04990 0.03484 -0.06839 65 2PZ -0.10567 0.11436 0.06755 0.12231 0.26043 66 3S 1.49195 -3.28263 -0.56685 -0.85162 -0.12150 67 3PX -0.28986 0.49601 0.24100 0.09872 0.61628 68 3PY 0.66625 -1.76877 -0.22706 -0.50866 -0.01688 69 3PZ -0.09890 0.14093 -0.18540 0.10900 0.86526 70 4XX 0.03682 0.08736 -0.19050 -0.30263 -0.21043 71 4YY -0.39023 -0.18184 -0.02175 -0.13922 -0.24475 72 4ZZ 0.29617 0.00323 0.14618 0.34431 0.39541 73 4XY -0.19817 0.21189 0.07165 0.09112 0.43568 74 4XZ 0.63493 -0.23517 -0.05573 -0.08747 -0.03639 75 4YZ -0.18474 0.10320 -0.17721 -0.02347 0.52159 76 6 C 1S 0.03648 -0.09126 0.00238 -0.05543 -0.02247 77 2S -0.07599 -0.29577 0.03107 -0.06218 0.08171 78 2PX -0.27689 0.11501 0.01125 0.02948 0.16185 79 2PY 0.27543 0.18508 -0.12222 0.22585 -0.03508 80 2PZ -0.20683 0.07069 0.02524 0.04595 0.16242 81 3S -0.95957 4.83485 -0.18210 2.09075 0.93627 82 3PX -0.41304 1.32220 0.09890 0.44929 0.33349 83 3PY 0.05302 1.45785 -0.45534 0.74290 -0.40991 84 3PZ -0.39058 1.40753 0.32144 0.36711 0.28416 85 4XX -0.07537 -0.19361 -0.09682 -0.37135 0.13333 86 4YY -0.08977 0.44849 -0.24087 0.44368 -0.21212 87 4ZZ 0.16405 -0.23929 0.26504 -0.09693 0.19729 88 4XY 0.31772 0.10292 -0.11045 0.11524 -0.10523 89 4XZ -0.24087 0.46380 0.11152 0.17694 0.39411 90 4YZ 0.24386 0.23603 -0.32458 -0.27958 -0.13550 91 7 H 1S -0.09968 0.20980 -0.07988 0.00758 -0.11819 92 2S -0.07879 -0.56179 0.02365 -0.12744 0.10504 93 8 H 1S 0.20368 -0.05724 -0.01444 -0.06835 0.12431 94 2S 0.03410 0.33772 0.13674 0.13010 -0.05920 95 9 H 1S -0.02373 0.01138 0.07775 0.16890 -0.03649 96 2S 0.04288 -0.05049 -0.15064 0.06212 -0.04652 97 10 H 1S -0.02349 -0.01148 -0.07784 -0.16942 -0.03413 98 2S 0.04280 0.05061 0.15060 -0.06273 -0.04599 99 11 H 1S 0.20370 0.05722 0.01481 0.07002 0.12341 100 2S 0.03397 -0.33782 -0.13682 -0.13091 -0.05749 101 12 H 1S -0.09987 -0.20979 0.07964 -0.00913 -0.11827 102 2S -0.07842 0.56189 -0.02350 0.12885 0.10360 103 13 C 1S -0.00064 0.03922 0.02974 -0.03024 0.00203 104 2S -0.05820 0.17748 0.08307 -0.10931 0.00342 105 2PX 0.10512 0.08481 0.01836 -0.00639 -0.00620 106 2PY 0.02331 0.24125 0.18959 -0.23523 0.00180 107 2PZ 0.02051 0.06666 0.03229 -0.03765 -0.02214 108 3S 0.22439 -1.67177 -1.23715 1.21629 -0.08523 109 3PX 0.08606 -0.03269 -0.12159 -0.01686 -0.00552 110 3PY 0.04077 0.89146 0.76113 -0.74917 -0.04795 111 3PZ 0.09785 -0.46079 -0.27546 0.09559 0.01908 112 4XX 0.01273 0.21782 0.22586 -0.23842 -0.00900 113 4YY -0.00197 -0.43718 -0.37430 0.48172 0.00396 114 4ZZ 0.05119 0.17941 0.11283 -0.16617 -0.00799 115 4XY -0.01044 0.10107 0.03284 0.02033 -0.03022 116 4XZ 0.14141 0.13129 -0.01450 0.02465 0.00811 117 4YZ -0.00167 0.05098 0.13357 -0.15494 -0.02579 118 14 O 1S 0.01854 0.02775 0.01418 -0.01325 0.00104 119 2S 0.21363 0.11721 0.06543 -0.19045 0.10181 120 2PX 0.00910 0.04493 0.02453 -0.00813 -0.01141 121 2PY -0.01352 0.02125 0.01435 -0.01865 -0.00583 122 2PZ -0.00169 0.01135 0.01157 -0.01806 0.00438 123 3S -0.78560 -0.39742 -0.19382 0.50928 -0.27859 124 3PX 0.09439 -0.18578 -0.13887 0.10501 -0.02488 125 3PY 0.29194 0.22024 0.11386 -0.21769 0.15154 126 3PZ 0.03315 -0.07103 -0.08070 0.13524 -0.08557 127 4XX 0.04061 0.11734 0.07686 -0.05937 0.04853 128 4YY -0.06712 -0.13526 -0.09236 0.16033 -0.10039 129 4ZZ 0.11394 0.10230 0.04312 -0.08538 0.04360 130 4XY -0.05760 0.05749 0.08111 -0.10448 0.03486 131 4XZ -0.08967 -0.21057 -0.10423 0.09143 0.02003 132 4YZ 0.01685 0.08575 0.06952 -0.09986 0.04062 133 15 C 1S -0.01678 0.00001 -0.00001 -0.00007 -0.01206 134 2S 0.00898 -0.00007 -0.00003 -0.00020 -0.01435 135 2PX -0.06134 0.00006 -0.00004 -0.00018 -0.03734 136 2PY 0.00000 0.25154 0.17476 -0.26571 0.00149 137 2PZ -0.08976 0.00011 -0.00005 -0.00039 -0.06564 138 3S 0.59975 -0.00043 0.00050 0.00247 0.41519 139 3PX -0.27701 0.00021 -0.00028 -0.00150 -0.24205 140 3PY -0.00002 0.35150 0.23152 -0.32585 0.00183 141 3PZ -0.12401 0.00014 -0.00003 -0.00029 -0.04760 142 4XX 0.00332 0.00001 -0.00003 -0.00016 -0.02296 143 4YY -0.01662 0.00009 0.00007 0.00005 0.00874 144 4ZZ 0.00412 -0.00008 -0.00002 0.00031 0.03942 145 4XY 0.00000 -0.26241 -0.17506 0.26195 -0.00149 146 4XZ 0.14432 -0.00015 0.00008 0.00056 0.09201 147 4YZ 0.00003 -0.26603 -0.18251 0.26982 -0.00152 148 16 C 1S -0.00063 -0.03921 -0.02974 0.03028 0.00167 149 2S -0.05834 -0.17736 -0.08306 0.10956 0.00199 150 2PX 0.10504 -0.08491 -0.01828 0.00627 -0.00620 151 2PY -0.02340 0.24135 0.18957 -0.23517 0.00088 152 2PZ 0.02046 -0.06662 -0.03224 0.03733 -0.02255 153 3S 0.22454 1.67146 1.23726 -1.21760 -0.07025 154 3PX 0.08618 0.03251 0.12163 0.01665 -0.00566 155 3PY -0.04071 0.89117 0.76103 -0.74864 0.05683 156 3PZ 0.09818 0.46066 0.27571 -0.09584 0.02040 157 4XX 0.01287 -0.21785 -0.22585 0.23829 -0.01160 158 4YY -0.00213 0.43716 0.37424 -0.48160 0.00946 159 4ZZ 0.05124 -0.17943 -0.11279 0.16595 -0.00995 160 4XY 0.01039 0.10109 0.03288 0.02068 0.02985 161 4XZ 0.14137 -0.13145 0.01461 -0.02465 0.00846 162 4YZ 0.00161 0.05114 0.13373 -0.15475 0.02758 163 17 H 1S -0.00072 -0.00001 0.00003 0.00016 0.02312 164 2S 0.02564 -0.00002 0.00004 0.00028 0.04223 165 18 H 1S -0.03132 0.00004 -0.00005 -0.00037 -0.05777 166 2S -0.06397 0.00001 -0.00006 -0.00021 -0.03434 167 19 O 1S 0.01855 -0.02778 -0.01417 0.01326 0.00091 168 2S 0.21359 -0.11759 -0.06514 0.19148 0.09967 169 2PX 0.00914 -0.04495 -0.02455 0.00798 -0.01146 170 2PY 0.01350 0.02120 0.01435 -0.01861 0.00606 171 2PZ -0.00168 -0.01136 -0.01156 0.01810 0.00416 172 3S -0.78577 0.39871 0.19288 -0.51203 -0.27324 173 3PX 0.09433 0.18563 0.13893 -0.10545 -0.02365 174 3PY -0.29196 0.22080 0.11348 -0.21924 -0.14920 175 3PZ 0.03305 0.07107 0.08065 -0.13637 -0.08392 176 4XX 0.04066 -0.11744 -0.07679 0.05996 0.04795 177 4YY -0.06713 0.13542 0.09221 -0.16141 -0.09851 178 4ZZ 0.11395 -0.10248 -0.04301 0.08575 0.04261 179 4XY 0.05756 0.05736 0.08106 -0.10494 -0.03366 180 4XZ -0.08962 0.21067 0.10417 -0.09118 0.02091 181 4YZ -0.01691 0.08583 0.06949 -0.10040 -0.03951 182 20 H 1S -0.06362 -0.07363 -0.10681 -0.08937 -0.03519 183 2S -0.05830 -0.03250 -0.01698 0.15799 -0.03254 184 21 H 1S -0.06353 0.07369 0.10672 0.08893 -0.03639 185 2S -0.05817 0.03257 0.01691 -0.15830 -0.03037 186 22 H 1S -0.05743 -0.00431 0.07115 -0.11220 -0.00875 187 2S 0.02610 -0.19615 -0.19766 0.15513 0.06614 188 23 H 1S -0.05733 0.00430 -0.07121 0.11209 -0.01005 189 2S 0.02618 0.19600 0.19775 -0.15443 0.06794 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 -0.03644 0.00324 -0.00785 -0.00508 0.00694 2 2S -0.29402 0.05995 -0.04154 0.01530 0.13544 3 2PX 0.12051 -0.00293 0.03307 0.00523 -0.01192 4 2PY 0.19049 -0.00779 0.00860 -0.03251 -0.04015 5 2PZ 0.08428 -0.01761 0.01754 -0.00478 -0.02912 6 3S 3.14569 -0.20856 1.03566 0.26961 -0.42643 7 3PX 1.22990 -0.08285 0.40718 0.03828 -0.19535 8 3PY -0.53659 -0.05161 -0.22303 -0.14428 -0.04288 9 3PZ 1.31399 -0.02276 0.38913 0.03338 -0.09444 10 4XX 0.22848 -0.02244 -0.00536 -0.01803 -0.04926 11 4YY -0.29254 0.00203 0.00567 0.04840 -0.01563 12 4ZZ 0.05814 -0.00928 0.01547 -0.05295 0.00268 13 4XY 0.06431 -0.00880 -0.03097 -0.01532 -0.02447 14 4XZ 0.34523 -0.03742 0.02882 -0.03096 -0.06109 15 4YZ -0.20047 -0.00518 0.01934 -0.04910 -0.01939 16 2 C 1S 0.07982 -0.00424 0.01701 0.00219 -0.01092 17 2S 0.83721 -0.03467 0.48239 0.16648 -0.07338 18 2PX 0.12909 -0.01677 0.04248 -0.00101 -0.02463 19 2PY 0.01610 -0.00265 -0.08054 -0.02809 -0.00836 20 2PZ -0.01712 -0.01863 0.09845 -0.04599 -0.02221 21 3S -4.27748 0.16212 -1.05834 -0.35936 0.44498 22 3PX 0.17265 -0.02300 0.05197 -0.08360 -0.04700 23 3PY 1.92027 -0.03095 0.68746 0.18300 -0.15626 24 3PZ -0.39676 -0.11325 0.18556 -0.05299 -0.17437 25 4XX 0.23976 0.02706 -0.18562 0.01998 0.03294 26 4YY -0.16956 0.01129 -0.00201 -0.02502 0.00305 27 4ZZ -0.29000 -0.03067 0.05341 -0.06296 -0.02618 28 4XY -0.19879 0.03011 0.03039 0.01937 0.04583 29 4XZ -0.28933 0.00069 0.04612 -0.01699 0.03653 30 4YZ 0.07345 0.02825 -0.12961 0.04422 0.04023 31 3 C 1S -0.03529 -0.00444 0.01175 -0.00772 -0.00607 32 2S -0.21546 -0.04659 0.27630 -0.03907 0.02168 33 2PX -0.06097 -0.00917 0.05048 -0.01277 0.01710 34 2PY 0.12105 0.01042 -0.04002 0.01735 -0.00858 35 2PZ -0.20582 -0.00093 -0.06668 -0.02578 -0.00322 36 3S 2.28318 0.12410 -0.19892 0.33569 0.04019 37 3PX -0.34295 0.03077 -0.49661 0.02458 -0.05191 38 3PY 0.21078 0.01825 -0.04638 -0.02016 0.04520 39 3PZ -0.97259 -0.04558 0.40360 -0.15962 0.01748 40 4XX -0.01229 -0.00319 -0.06134 -0.01236 -0.01494 41 4YY -0.35540 -0.00818 0.13330 -0.04037 -0.02519 42 4ZZ 0.36182 0.01972 -0.14066 0.04830 0.00306 43 4XY -0.04691 -0.00772 0.04526 -0.00380 -0.02317 44 4XZ 0.17533 -0.00251 -0.08612 0.02021 -0.01353 45 4YZ -0.15774 -0.01570 0.03244 -0.01508 -0.01006 46 4 C 1S 0.03531 -0.00445 -0.01175 0.00772 -0.00607 47 2S 0.21550 -0.04669 -0.27633 0.03907 0.02177 48 2PX 0.06104 -0.00919 -0.05046 0.01277 0.01709 49 2PY 0.12107 -0.01047 -0.04004 0.01734 0.00855 50 2PZ 0.20594 -0.00097 0.06671 0.02579 -0.00323 51 3S -2.28376 0.12485 0.19892 -0.33576 0.03983 52 3PX 0.34318 0.03078 0.49663 -0.02454 -0.05187 53 3PY 0.21062 -0.01823 -0.04623 -0.02017 -0.04539 54 3PZ 0.97291 -0.04596 -0.40375 0.15964 0.01756 55 4XX 0.01235 -0.00314 0.06141 0.01236 -0.01492 56 4YY 0.35552 -0.00832 -0.13331 0.04039 -0.02529 57 4ZZ -0.36198 0.01983 0.14061 -0.04831 0.00311 58 4XY -0.04694 0.00769 0.04528 -0.00380 0.02318 59 4XZ -0.17554 -0.00244 0.08609 -0.02023 -0.01350 60 4YZ -0.15769 0.01568 0.03240 -0.01508 0.01006 61 5 C 1S -0.07983 -0.00421 -0.01699 -0.00219 -0.01092 62 2S -0.83721 -0.03441 -0.48242 -0.16645 -0.07346 63 2PX -0.12906 -0.01673 -0.04252 0.00101 -0.02467 64 2PY 0.01614 0.00267 -0.08054 -0.02810 0.00838 65 2PZ 0.01720 -0.01862 -0.09844 0.04598 -0.02223 66 3S 4.27783 0.16079 1.05811 0.35926 0.44526 67 3PX -0.17201 -0.02297 -0.05188 0.08365 -0.04704 68 3PY 1.92048 0.03033 0.68746 0.18294 0.15639 69 3PZ 0.39750 -0.11334 -0.18530 0.05311 -0.17441 70 4XX -0.23994 0.02705 0.18553 -0.01998 0.03294 71 4YY 0.16948 0.01125 0.00211 0.02500 0.00311 72 4ZZ 0.29022 -0.03070 -0.05339 0.06298 -0.02619 73 4XY -0.19858 -0.03005 0.03039 0.01939 -0.04589 74 4XZ 0.28956 0.00058 -0.04618 0.01703 0.03653 75 4YZ 0.07353 -0.02830 -0.12956 0.04422 -0.04029 76 6 C 1S 0.03643 0.00322 0.00785 0.00507 0.00694 77 2S 0.29415 0.05988 0.04157 -0.01533 0.13544 78 2PX -0.12047 -0.00290 -0.03305 -0.00523 -0.01194 79 2PY 0.19062 0.00781 0.00859 -0.03251 0.04022 80 2PZ -0.08421 -0.01759 -0.01750 0.00478 -0.02913 81 3S -3.14555 -0.20732 -1.03552 -0.26949 -0.42644 82 3PX -1.23005 -0.08245 -0.40718 -0.03826 -0.19546 83 3PY -0.53638 0.05195 -0.22294 -0.14428 0.04309 84 3PZ -1.31414 -0.02234 -0.38915 -0.03340 -0.09451 85 4XX -0.22845 -0.02248 0.00534 0.01804 -0.04932 86 4YY 0.29243 0.00205 -0.00566 -0.04839 -0.01554 87 4ZZ -0.05808 -0.00929 -0.01546 0.05293 0.00266 88 4XY 0.06453 0.00881 -0.03098 -0.01534 0.02451 89 4XZ -0.34518 -0.03732 -0.02879 0.03095 -0.06114 90 4YZ -0.20031 0.00521 0.01932 -0.04912 0.01943 91 7 H 1S -0.12370 0.02204 0.01168 -0.00245 0.02007 92 2S 0.42545 -0.00046 0.13492 0.01617 -0.02758 93 8 H 1S 0.11628 -0.02565 -0.04147 0.01883 -0.02166 94 2S -0.44609 0.01675 -0.11996 -0.05357 0.03661 95 9 H 1S -0.09128 0.00560 0.11180 -0.02476 0.02015 96 2S -0.08267 -0.05641 0.10170 -0.00537 0.00228 97 10 H 1S 0.09128 0.00551 -0.11178 0.02476 0.02015 98 2S 0.08267 -0.05643 -0.10174 0.00537 0.00225 99 11 H 1S -0.11620 -0.02561 0.04146 -0.01883 -0.02169 100 2S 0.44612 0.01659 0.11997 0.05355 0.03662 101 12 H 1S 0.12361 0.02201 -0.01168 0.00244 0.02007 102 2S -0.42550 -0.00032 -0.13493 -0.01617 -0.02759 103 13 C 1S -0.02040 0.02612 -0.10187 0.01586 0.02803 104 2S -0.15125 -0.09140 -0.64210 -0.06174 -0.18665 105 2PX 0.04671 -0.25701 0.27624 0.09549 -0.32196 106 2PY 0.13907 -0.17845 -0.23355 0.28264 -0.08259 107 2PZ 0.05912 -0.16152 0.03071 0.07278 -0.22877 108 3S 1.07826 -0.60972 5.68268 -0.43022 -0.97033 109 3PX 0.11835 -0.18939 0.75605 0.02195 -0.37012 110 3PY -0.02888 -0.16182 -2.30609 0.29554 -0.32749 111 3PZ 0.50491 -0.19718 1.89520 0.01343 -0.33078 112 4XX 0.21065 -0.03748 -0.18623 0.23081 -0.22103 113 4YY -0.32781 -0.04491 0.47825 -0.55692 0.21551 114 4ZZ 0.03554 0.09110 -0.11941 0.30808 -0.07962 115 4XY 0.04316 -0.25623 0.00795 -0.44737 -0.13248 116 4XZ 0.00895 -0.18775 0.42148 0.10649 -0.37874 117 4YZ 0.05470 -0.18866 -0.38943 -0.50484 -0.10502 118 14 O 1S 0.02197 -0.04852 0.03128 -0.03037 0.00136 119 2S 0.42704 -0.32933 0.85421 -0.04172 0.00697 120 2PX -0.00656 0.00129 -0.05072 -0.02991 0.04382 121 2PY 0.00614 -0.07698 -0.04191 -0.02985 -0.05007 122 2PZ 0.01054 0.00312 -0.01564 -0.02246 0.03256 123 3S -1.35552 1.35350 -2.86371 0.44209 -0.02052 124 3PX 0.11318 -0.25811 0.65495 0.18029 -1.07635 125 3PY 0.45660 -0.17199 0.96878 -0.06270 0.44112 126 3PZ -0.05629 -0.12547 0.17171 0.15498 -0.86898 127 4XX 0.07414 0.23276 -0.02378 0.04079 0.31487 128 4YY -0.17121 -0.51149 -0.23124 -0.15072 -0.30422 129 4ZZ 0.09898 0.06923 0.25485 -0.07253 0.05398 130 4XY 0.11083 -0.11504 -0.06521 -0.43313 0.64982 131 4XZ -0.16064 0.60831 -0.24012 0.17633 0.18679 132 4YZ 0.13750 -0.14057 0.12997 -0.28913 0.54301 133 15 C 1S 0.00000 0.02773 0.00000 0.00001 -0.07867 134 2S 0.00008 -0.01875 0.00001 -0.00004 0.25245 135 2PX -0.00004 0.05927 0.00000 0.00005 -0.29565 136 2PY 0.39081 -0.00003 0.51833 -0.34022 -0.00004 137 2PZ 0.00001 0.07562 0.00006 0.00002 -0.32734 138 3S 0.00006 -0.75686 -0.00003 -0.00040 2.15268 139 3PX 0.00000 0.00932 0.00001 0.00007 -0.37837 140 3PY 0.38418 -0.00001 0.28912 -0.32209 -0.00005 141 3PZ 0.00003 -0.03200 0.00001 0.00002 -0.35550 142 4XX 0.00003 0.39412 0.00000 0.00008 -0.35333 143 4YY -0.00002 -0.74233 0.00006 -0.00019 0.56669 144 4ZZ -0.00003 0.40250 -0.00005 0.00011 -0.24786 145 4XY -0.35230 0.00001 -0.39847 0.12341 0.00002 146 4XZ 0.00000 0.14357 -0.00004 -0.00001 0.16513 147 4YZ -0.31671 -0.00014 -0.32483 0.27978 0.00018 148 16 C 1S 0.02040 0.02611 0.10187 -0.01587 0.02803 149 2S 0.15102 -0.09143 0.64210 0.06176 -0.18668 150 2PX -0.04673 -0.25700 -0.27623 -0.09537 -0.32203 151 2PY 0.13905 0.17847 -0.23352 0.28263 0.08276 152 2PZ -0.05914 -0.16146 -0.03075 -0.07264 -0.22880 153 3S -1.07812 -0.60944 -5.68250 0.43057 -0.97005 154 3PX -0.11829 -0.18940 -0.75616 -0.02182 -0.37011 155 3PY -0.02857 0.16186 -2.30579 0.29545 0.32776 156 3PZ -0.50468 -0.19701 -1.89573 -0.01321 -0.33061 157 4XX -0.21065 -0.03747 0.18627 -0.23072 -0.22113 158 4YY 0.32783 -0.04504 -0.47812 0.55704 0.21570 159 4ZZ -0.03546 0.09118 0.11925 -0.30822 -0.07969 160 4XY 0.04321 0.25632 0.00803 -0.44738 0.13241 161 4XZ -0.00890 -0.18771 -0.42151 -0.10647 -0.37877 162 4YZ 0.05483 0.18864 -0.38960 -0.50464 0.10492 163 17 H 1S -0.00002 -0.07778 0.00000 -0.00001 0.00248 164 2S 0.00000 0.16849 0.00000 0.00003 -0.15177 165 18 H 1S 0.00000 -0.09324 0.00000 0.00001 -0.05902 166 2S -0.00002 0.22036 0.00003 0.00003 -0.15264 167 19 O 1S -0.02198 -0.04852 -0.03128 0.03037 0.00137 168 2S -0.42694 -0.32923 -0.85420 0.04173 0.00699 169 2PX 0.00657 0.00127 0.05071 0.02990 0.04384 170 2PY 0.00618 0.07699 -0.04191 -0.02986 0.05006 171 2PZ -0.01053 0.00314 0.01562 0.02244 0.03258 172 3S 1.35524 1.35329 2.86366 -0.44207 -0.02074 173 3PX -0.11317 -0.25805 -0.65493 -0.17990 -1.07645 174 3PY 0.45636 0.17195 0.96882 -0.06253 -0.44099 175 3PZ 0.05636 -0.12544 -0.17145 -0.15467 -0.86917 176 4XX -0.07406 0.23275 0.02379 -0.04089 0.31489 177 4YY 0.17096 -0.51159 0.23120 0.15089 -0.30398 178 4ZZ -0.09882 0.06929 -0.25480 0.07241 0.05381 179 4XY 0.11083 0.11492 -0.06527 -0.43283 -0.65005 180 4XZ 0.16075 0.60834 0.24009 -0.17646 0.18661 181 4YZ 0.13757 0.14041 0.13011 -0.28889 -0.54324 182 20 H 1S 0.08219 -0.00730 0.06372 0.00166 -0.02115 183 2S 0.07222 0.01783 0.22402 -0.01485 -0.02809 184 21 H 1S -0.08222 -0.00730 -0.06371 -0.00165 -0.02117 185 2S -0.07224 0.01780 -0.22398 0.01486 -0.02810 186 22 H 1S 0.04898 -0.02767 -0.25011 -0.27605 0.05031 187 2S -0.04061 0.05111 0.71652 0.10444 0.01789 188 23 H 1S -0.04898 -0.02768 0.25012 0.27604 0.05042 189 2S 0.04075 0.05111 -0.71661 -0.10442 0.01790 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 -0.00099 -0.00436 0.05714 -0.03378 -0.00899 2 2S 0.02734 -0.22677 -0.08203 0.31078 0.39610 3 2PX 0.17683 -0.01768 -0.08611 -0.02376 -0.02796 4 2PY 0.40578 -0.01750 0.07884 -0.03270 0.02157 5 2PZ 0.16370 0.00507 -0.04916 -0.03625 -0.03556 6 3S -0.11106 1.02796 -2.10614 -0.18975 -1.45264 7 3PX 0.68070 0.37071 -0.61984 -0.12030 -0.55507 8 3PY 1.46883 -0.34321 0.58840 -0.03484 0.60851 9 3PZ 0.46020 0.21236 -0.71481 -0.05099 -0.45544 10 4XX 0.35300 0.04134 0.14027 -0.18801 -0.15029 11 4YY -0.64474 0.00440 -0.38772 -0.14223 -0.22147 12 4ZZ 0.26146 0.05612 0.35619 -0.15352 -0.10044 13 4XY 0.27732 -0.13537 -0.55070 -0.01524 -0.01981 14 4XZ 0.38726 0.03620 -0.02807 -0.03910 -0.07222 15 4YZ 0.31012 -0.08216 -0.45048 -0.01223 -0.04286 16 2 C 1S 0.00270 0.00737 -0.05161 0.01871 0.02604 17 2S -0.22329 0.37735 -0.09999 -0.25460 -0.58012 18 2PX 0.21135 0.01236 -0.17930 -0.02142 -0.05977 19 2PY 0.14415 -0.05425 -0.05555 0.00597 0.00029 20 2PZ 0.24010 0.02623 -0.11043 -0.02750 -0.03780 21 3S -0.36146 -0.85276 1.91474 0.29248 1.23148 22 3PX 0.85910 -0.08784 -0.11739 -0.05166 0.08993 23 3PY -0.03552 0.47503 -0.86081 -0.18178 -0.81125 24 3PZ 1.12976 -0.03574 0.21900 -0.07161 0.20522 25 4XX -0.15731 -0.07175 0.09824 0.13836 0.26038 26 4YY -0.04288 -0.11043 -0.46045 0.10318 0.20052 27 4ZZ 0.17121 0.02611 0.34369 0.09645 0.23186 28 4XY -0.39085 0.01009 -0.01696 0.03131 0.01395 29 4XZ -0.17260 0.07736 0.44746 0.01484 0.08643 30 4YZ -0.46130 0.01150 0.00050 0.04410 -0.00811 31 3 C 1S 0.00107 0.00689 0.03691 0.06652 0.01606 32 2S -0.06634 0.19563 -0.02990 -0.46088 0.06904 33 2PX 0.03444 0.02767 0.02568 -0.01904 0.03805 34 2PY -0.12632 0.00899 -0.05812 0.02753 -0.01920 35 2PZ 0.12789 -0.05874 0.14380 0.00922 0.03085 36 3S -0.24496 -0.11454 -1.19789 -0.20587 -0.86952 37 3PX 0.09389 -0.34142 0.16166 0.12594 0.03443 38 3PY -0.72622 0.15674 0.02063 -0.03476 0.17301 39 3PZ 0.55361 0.09804 0.32375 0.00220 0.47735 40 4XX -0.01175 -0.01193 0.20102 0.28881 0.05184 41 4YY 0.36521 -0.06424 0.00084 0.24083 0.00080 42 4ZZ -0.34535 -0.00600 -0.07845 0.24867 -0.04264 43 4XY 0.04029 0.02393 0.06245 -0.00048 -0.00707 44 4XZ -0.11564 -0.00297 0.01339 -0.02081 -0.06515 45 4YZ 0.10590 0.03775 0.31211 0.00149 0.01850 46 4 C 1S -0.00107 -0.00688 -0.03692 0.06653 -0.01624 47 2S 0.06639 -0.19565 0.02991 -0.46107 -0.06789 48 2PX -0.03447 -0.02766 -0.02573 -0.01904 -0.03806 49 2PY -0.12627 0.00897 -0.05810 -0.02752 -0.01919 50 2PZ -0.12792 0.05877 -0.14383 0.00922 -0.03088 51 3S 0.24498 0.11450 1.19804 -0.20572 0.87008 52 3PX -0.09392 0.34142 -0.16176 0.12605 -0.03457 53 3PY -0.72614 0.15683 0.02067 0.03496 0.17310 54 3PZ -0.55371 -0.09811 -0.32377 0.00229 -0.47725 55 4XX 0.01180 0.01196 -0.20103 0.28891 -0.05256 56 4YY -0.36527 0.06423 -0.00098 0.24093 -0.00144 57 4ZZ 0.34533 0.00600 0.07857 0.24871 0.04191 58 4XY 0.04033 0.02393 0.06248 0.00049 -0.00707 59 4XZ 0.11575 0.00295 -0.01325 -0.02082 0.06519 60 4YZ 0.10569 0.03778 0.31210 -0.00152 0.01854 61 5 C 1S -0.00270 -0.00736 0.05162 0.01872 -0.02620 62 2S 0.22326 -0.37737 0.10002 -0.25469 0.58107 63 2PX -0.21131 -0.01240 0.17930 -0.02143 0.05976 64 2PY 0.14423 -0.05425 -0.05562 -0.00595 0.00031 65 2PZ -0.24006 -0.02623 0.11043 -0.02751 0.03781 66 3S 0.36152 0.85253 -1.91494 0.29234 -1.23081 67 3PX -0.85926 0.08797 0.11716 -0.05148 -0.09024 68 3PY -0.03513 0.47492 -0.86086 0.18168 -0.81121 69 3PZ -1.12968 0.03595 -0.21920 -0.07134 -0.20555 70 4XX 0.15717 0.07170 -0.09827 0.13840 -0.26091 71 4YY 0.04317 0.11047 0.46046 0.10326 -0.20115 72 4ZZ -0.17136 -0.02604 -0.34366 0.09649 -0.23238 73 4XY -0.39095 0.01015 -0.01675 -0.03131 0.01394 74 4XZ 0.17238 -0.07736 -0.44757 0.01483 -0.08638 75 4YZ -0.46125 0.01157 0.00077 -0.04408 -0.00808 76 6 C 1S 0.00100 0.00436 -0.05714 -0.03379 0.00883 77 2S -0.02739 0.22681 0.08203 0.31078 -0.39485 78 2PX -0.17675 0.01770 0.08614 -0.02375 0.02797 79 2PY 0.40582 -0.01750 0.07878 0.03270 0.02159 80 2PZ -0.16363 -0.00505 0.04918 -0.03624 0.03557 81 3S 0.11103 -1.02776 2.10619 -0.18953 1.45259 82 3PX -0.68039 -0.37073 0.62000 -0.12017 0.55506 83 3PY 1.46909 -0.34318 0.58820 0.03476 0.60843 84 3PZ -0.45994 -0.21240 0.71495 -0.05087 0.45544 85 4XX -0.35289 -0.04140 -0.14046 -0.18800 0.14960 86 4YY 0.64458 -0.00436 0.38803 -0.14226 0.22086 87 4ZZ -0.26138 -0.05615 -0.35632 -0.15352 0.09975 88 4XY 0.27758 -0.13536 -0.55061 0.01525 -0.01981 89 4XZ -0.38714 -0.03622 0.02792 -0.03909 0.07219 90 4YZ 0.31035 -0.08215 -0.45036 0.01224 -0.04286 91 7 H 1S -0.00030 -0.07456 -0.29569 0.03219 -0.00480 92 2S -0.02803 0.12662 -0.07929 -0.03815 -0.21921 93 8 H 1S 0.03106 0.04416 0.20523 -0.01767 -0.00161 94 2S 0.00283 -0.14008 0.04756 0.08717 0.23773 95 9 H 1S 0.01114 0.03981 -0.04583 -0.01861 0.10078 96 2S -0.00862 0.10172 0.09747 -0.03425 -0.14555 97 10 H 1S -0.01115 -0.03980 0.04579 -0.01863 -0.10072 98 2S 0.00856 -0.10171 -0.09746 -0.03437 0.14548 99 11 H 1S -0.03106 -0.04417 -0.20522 -0.01769 0.00168 100 2S -0.00284 0.14006 -0.04757 0.08714 -0.23790 101 12 H 1S 0.00031 0.07454 0.29570 0.03218 0.00490 102 2S 0.02805 -0.12663 0.07931 -0.03813 0.21907 103 13 C 1S 0.01522 -0.05496 0.02322 -0.01586 -0.08305 104 2S 0.20098 -0.14361 0.05603 0.24705 0.77122 105 2PX -0.01436 0.40499 -0.06182 -0.05283 -0.15500 106 2PY 0.06655 0.23584 -0.03996 -0.04195 0.10378 107 2PZ 0.03115 0.19928 -0.03809 -0.00441 -0.06219 108 3S -1.13264 2.85780 -1.07672 -0.87254 -2.53942 109 3PX -0.19103 1.00640 -0.26739 -0.33944 -1.11913 110 3PY 0.48988 -0.28857 0.34399 -0.07260 0.49217 111 3PZ -0.48585 1.49297 -0.47250 -0.33684 -1.34344 112 4XX 0.03893 0.30788 -0.04769 -0.04391 -0.40628 113 4YY -0.12588 -0.24511 0.04002 -0.07696 -0.50536 114 4ZZ 0.00489 -0.00955 0.03492 -0.05311 -0.37588 115 4XY -0.02560 0.44139 -0.06495 0.08594 0.01246 116 4XZ -0.03142 0.47084 -0.07873 -0.05434 -0.12131 117 4YZ -0.01452 0.33445 -0.07147 0.06454 0.03969 118 14 O 1S -0.00778 -0.00147 0.00816 -0.38216 -0.40012 119 2S -0.14684 0.41006 -0.13669 -0.38927 -0.57633 120 2PX -0.00763 0.00747 0.00147 0.05582 0.07599 121 2PY 0.00949 0.02955 -0.00258 0.13498 0.17068 122 2PZ -0.00771 0.00940 -0.00617 0.02058 0.00399 123 3S 0.59132 -1.45544 0.40972 4.65278 5.24350 124 3PX -0.06248 1.36957 -0.28295 -0.18040 -0.81942 125 3PY -0.20480 -0.03409 -0.06796 -0.95518 -0.82564 126 3PZ 0.02834 0.98154 -0.16664 -0.01590 -0.39217 127 4XX 0.00144 -0.50053 0.12350 -1.23295 -1.20365 128 4YY 0.04094 0.38777 -0.02783 -1.13370 -1.25971 129 4ZZ -0.04668 -0.13369 0.04523 -1.29774 -1.35599 130 4XY -0.04408 -0.42482 0.07225 -0.03977 0.14552 131 4XZ 0.02096 -0.40048 0.06597 0.08291 0.23288 132 4YZ -0.07279 -0.38077 0.05789 -0.08588 0.07049 133 15 C 1S 0.00000 0.00000 0.00000 -0.11845 0.00003 134 2S -0.00004 0.00000 -0.00001 0.95152 -0.00006 135 2PX 0.00003 0.00001 0.00000 0.13753 0.00002 136 2PY -0.14722 -0.36051 0.02391 0.00000 -0.06093 137 2PZ 0.00001 -0.00003 0.00000 0.11879 0.00002 138 3S -0.00015 -0.00008 0.00001 -2.06039 -0.00074 139 3PX -0.00004 0.00003 -0.00002 0.55604 0.00019 140 3PY -0.11068 -0.80259 0.11819 -0.00003 -0.41054 141 3PZ 0.00002 -0.00009 0.00000 0.60168 0.00012 142 4XX 0.00002 0.00000 0.00000 -0.55714 0.00007 143 4YY -0.00005 -0.00009 0.00001 -0.37552 0.00013 144 4ZZ 0.00003 0.00007 -0.00001 -0.55297 0.00004 145 4XY 0.09551 0.36565 -0.03349 0.00001 -0.04178 146 4XZ 0.00001 0.00004 0.00000 -0.05093 -0.00004 147 4YZ 0.09449 0.34657 -0.03852 0.00004 -0.11136 148 16 C 1S -0.01523 0.05495 -0.02322 -0.01588 0.08281 149 2S -0.20088 0.14357 -0.05599 0.24721 -0.76954 150 2PX 0.01444 -0.40497 0.06183 -0.05286 0.15492 151 2PY 0.06655 0.23588 -0.03995 0.04192 0.10389 152 2PZ -0.03107 -0.19921 0.03809 -0.00440 0.06218 153 3S 1.13287 -2.85756 1.07676 -0.87301 2.53954 154 3PX 0.19110 -1.00640 0.26737 -0.33973 1.11904 155 3PY 0.48963 -0.28832 0.34380 0.07253 0.49187 156 3PZ 0.48597 -1.49298 0.47253 -0.33711 1.34330 157 4XX -0.03890 -0.30786 0.04769 -0.04398 0.40528 158 4YY 0.12584 0.24497 -0.04001 -0.07708 0.50446 159 4ZZ -0.00489 0.00968 -0.03496 -0.05322 0.37491 160 4XY -0.02564 0.44149 -0.06496 -0.08593 0.01244 161 4XZ 0.03151 -0.47072 0.07872 -0.05439 0.12126 162 4YZ -0.01451 0.33450 -0.07147 -0.06455 0.03972 163 17 H 1S 0.00001 0.00000 0.00000 0.22760 0.00003 164 2S 0.00003 -0.00001 0.00001 0.00610 0.00004 165 18 H 1S -0.00001 0.00001 0.00000 0.22973 0.00004 166 2S 0.00003 0.00001 0.00001 -0.03669 0.00005 167 19 O 1S 0.00778 0.00147 -0.00816 -0.38225 0.39997 168 2S 0.14691 -0.41004 0.13670 -0.38938 0.57610 169 2PX 0.00760 -0.00747 -0.00147 0.05584 -0.07602 170 2PY 0.00947 0.02955 -0.00259 -0.13502 0.17063 171 2PZ 0.00772 -0.00940 0.00617 0.02055 -0.00397 172 3S -0.59142 1.45535 -0.40971 4.65392 -5.24151 173 3PX 0.06274 -1.36949 0.28296 -0.18057 0.81928 174 3PY -0.20471 -0.03387 -0.06798 0.95536 -0.82522 175 3PZ -0.02824 -0.98145 0.16664 -0.01575 0.39193 176 4XX -0.00154 0.50053 -0.12352 -1.23323 1.20327 177 4YY -0.04085 -0.38760 0.02781 -1.13402 1.25926 178 4ZZ 0.04661 0.13355 -0.04522 -1.29802 1.35556 179 4XY -0.04397 -0.42487 0.07226 0.03972 0.14550 180 4XZ -0.02102 0.40037 -0.06596 0.08296 -0.23271 181 4YZ -0.07273 -0.38087 0.05790 0.08591 0.07044 182 20 H 1S -0.00178 0.03760 -0.01599 -0.02333 0.01837 183 2S -0.00280 0.13850 -0.07824 0.11745 0.06007 184 21 H 1S 0.00178 -0.03759 0.01600 -0.02332 -0.01829 185 2S 0.00278 -0.13848 0.07821 0.11744 -0.06029 186 22 H 1S -0.01793 0.14802 -0.05659 0.08758 0.07026 187 2S -0.14518 0.20834 -0.09795 -0.04059 -0.40012 188 23 H 1S 0.01791 -0.14803 0.05658 0.08759 -0.07012 189 2S 0.14514 -0.20838 0.09790 -0.04070 0.39987 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 -0.19906 0.26088 -0.08455 -0.04512 -0.23417 2 2S 1.35994 -1.42296 0.52543 0.30825 1.44081 3 2PX -0.01079 0.10548 -0.01641 0.01678 -0.05130 4 2PY -0.05858 0.05466 -0.03046 0.00771 0.17045 5 2PZ 0.00894 0.06997 0.00807 0.04124 -0.01009 6 3S 0.35721 -1.12967 0.30780 -0.08153 0.43267 7 3PX -0.04270 -0.24736 0.00222 -0.07916 -0.22255 8 3PY 0.02041 -0.03259 0.08961 -0.01331 -0.12378 9 3PZ -0.06973 -0.16170 -0.04671 -0.08630 -0.35814 10 4XX -0.78713 1.01430 -0.31960 -0.14953 -0.89814 11 4YY -0.73390 0.88716 -0.30670 -0.16209 -1.13821 12 4ZZ -0.78822 1.02338 -0.33920 -0.17202 -0.89990 13 4XY -0.00314 0.02560 -0.00045 0.02796 -0.02962 14 4XZ -0.01733 0.02813 -0.01101 0.00844 -0.00806 15 4YZ 0.00188 0.03112 0.00868 0.04187 0.00222 16 2 C 1S -0.10992 -0.06753 -0.02795 -0.12688 -0.19393 17 2S 0.69646 0.34318 0.06207 0.55785 0.67768 18 2PX -0.05138 0.09099 -0.03156 -0.00713 -0.09424 19 2PY -0.04692 0.05453 -0.00658 0.02414 0.04398 20 2PZ -0.00558 0.10239 -0.00153 0.01742 -0.02710 21 3S 0.23693 0.50314 0.05703 0.67862 1.49686 22 3PX -0.03905 -0.16179 0.10921 0.07511 -0.08008 23 3PY -0.00448 -0.15503 -0.10798 -0.10160 -0.70498 24 3PZ -0.03962 -0.19927 0.06670 -0.13909 0.01763 25 4XX -0.38384 -0.31966 -0.04956 -0.40149 -0.61340 26 4YY -0.43512 -0.27964 -0.10315 -0.49431 -0.60555 27 4ZZ -0.33235 -0.22114 -0.01345 -0.40595 -0.54966 28 4XY 0.03496 -0.07465 -0.01680 -0.03148 0.05349 29 4XZ 0.07323 -0.04744 0.02946 -0.03632 0.13771 30 4YZ -0.00687 -0.09564 -0.01766 -0.00658 0.01177 31 3 C 1S -0.14562 -0.21558 -0.11472 -0.13161 -0.11929 32 2S 0.90775 1.08855 0.64734 0.60450 0.82067 33 2PX -0.00342 0.01852 -0.01040 -0.04724 -0.01360 34 2PY -0.02242 -0.00013 -0.01533 0.01486 0.03981 35 2PZ -0.01944 0.03380 0.03516 0.03758 0.02212 36 3S 0.48785 0.94716 0.35310 0.53386 -0.07815 37 3PX 0.01738 -0.02345 0.07094 0.18546 0.21867 38 3PY 0.06759 0.06729 0.01878 0.02661 0.13382 39 3PZ 0.08564 -0.04611 0.02142 -0.07474 0.30245 40 4XX -0.57847 -0.82333 -0.44155 -0.48382 -0.48392 41 4YY -0.50048 -0.70373 -0.39419 -0.42597 -0.56279 42 4ZZ -0.56877 -0.80155 -0.46373 -0.45520 -0.46961 43 4XY -0.00709 0.00233 0.00011 0.00632 -0.01884 44 4XZ 0.00280 0.01462 -0.01215 0.01365 0.02761 45 4YZ -0.01477 -0.01444 -0.00121 -0.04837 -0.03775 46 4 C 1S -0.14560 -0.21556 -0.11470 -0.13177 0.11897 47 2S 0.90785 1.08852 0.64710 0.60563 -0.81915 48 2PX -0.00338 0.01852 -0.01041 -0.04729 0.01352 49 2PY 0.02245 0.00014 0.01533 -0.01494 0.03979 50 2PZ -0.01940 0.03380 0.03516 0.03762 -0.02202 51 3S 0.48681 0.94682 0.35321 0.53352 0.07958 52 3PX 0.01735 -0.02328 0.07108 0.18603 -0.21843 53 3PY -0.06779 -0.06739 -0.01883 -0.02679 0.13382 54 3PZ 0.08623 -0.04596 0.02123 -0.07440 -0.30259 55 4XX -0.57841 -0.82324 -0.44145 -0.48448 0.48271 56 4YY -0.50050 -0.70365 -0.39408 -0.42677 0.56176 57 4ZZ -0.56882 -0.80154 -0.46359 -0.45582 0.46844 58 4XY 0.00710 -0.00234 -0.00012 -0.00628 -0.01889 59 4XZ 0.00274 0.01460 -0.01212 0.01375 -0.02759 60 4YZ 0.01476 0.01446 0.00124 0.04846 -0.03765 61 5 C 1S -0.10990 -0.06746 -0.02800 -0.12730 0.19374 62 2S 0.69585 0.34276 0.06238 0.55943 -0.67697 63 2PX -0.05144 0.09098 -0.03157 -0.00736 0.09421 64 2PY 0.04693 -0.05455 0.00657 -0.02422 0.04395 65 2PZ -0.00562 0.10237 -0.00154 0.01733 0.02714 66 3S 0.23841 0.50311 0.05709 0.68142 -1.49595 67 3PX -0.03886 -0.16177 0.10911 0.07491 0.08011 68 3PY 0.00544 0.15518 0.10791 0.10285 -0.70485 69 3PZ -0.03935 -0.19911 0.06658 -0.13903 -0.01811 70 4XX -0.38357 -0.31935 -0.04973 -0.40281 0.61289 71 4YY -0.43491 -0.27943 -0.10335 -0.49565 0.60478 72 4ZZ -0.33212 -0.22083 -0.01365 -0.40719 0.54916 73 4XY -0.03499 0.07468 0.01678 0.03135 0.05356 74 4XZ 0.07336 -0.04738 0.02947 -0.03602 -0.13775 75 4YZ 0.00684 0.09565 0.01759 0.00650 0.01181 76 6 C 1S -0.19909 0.26091 -0.08460 -0.04567 0.23400 77 2S 1.36053 -1.42312 0.52573 0.31163 -1.43972 78 2PX -0.01081 0.10546 -0.01640 0.01666 0.05132 79 2PY 0.05854 -0.05466 0.03042 -0.00812 0.17046 80 2PZ 0.00892 0.06995 0.00808 0.04121 0.01016 81 3S 0.35555 -1.12998 0.30806 -0.07997 -0.43248 82 3PX -0.04337 -0.24743 0.00219 -0.07948 0.22244 83 3PY -0.02118 0.03250 -0.08942 0.01379 -0.12386 84 3PZ -0.07029 -0.16176 -0.04675 -0.08693 0.35799 85 4XX -0.78737 1.01440 -0.31979 -0.15166 0.89749 86 4YY -0.73427 0.88728 -0.30692 -0.16475 1.13759 87 4ZZ -0.78839 1.02349 -0.33938 -0.17416 0.89921 88 4XY 0.00318 -0.02562 0.00046 -0.02790 -0.02961 89 4XZ -0.01742 0.02809 -0.01100 0.00841 0.00805 90 4YZ -0.00182 -0.03113 -0.00867 -0.04187 0.00219 91 7 H 1S 0.08720 -0.09943 0.02930 0.04022 0.06163 92 2S -0.18562 0.14601 -0.12017 -0.09019 -0.28259 93 8 H 1S 0.06190 0.03236 0.03185 0.04759 0.07627 94 2S -0.09590 -0.01857 0.01566 -0.11210 0.06919 95 9 H 1S 0.06187 0.06902 0.03399 0.02825 0.03718 96 2S -0.18191 -0.21807 -0.14852 -0.26734 -0.21432 97 10 H 1S 0.06201 0.06903 0.03395 0.02827 -0.03713 98 2S -0.18208 -0.21820 -0.14856 -0.26772 0.21380 99 11 H 1S 0.06190 0.03234 0.03188 0.04775 -0.07618 100 2S -0.09563 -0.01850 0.01561 -0.11205 -0.06938 101 12 H 1S 0.08719 -0.09945 0.02932 0.04037 -0.06151 102 2S -0.18593 0.14599 -0.12019 -0.09077 0.28235 103 13 C 1S -0.19122 -0.07298 0.14514 0.25586 -0.11766 104 2S 1.22956 0.54258 -0.63411 -1.31029 0.92622 105 2PX -0.05205 -0.01532 0.00531 0.01102 -0.03722 106 2PY -0.06980 -0.06633 -0.00609 0.03761 0.08658 107 2PZ -0.03582 -0.00412 0.04880 0.08646 -0.03180 108 3S 0.46881 -0.12338 -0.41164 -1.23957 0.31494 109 3PX 0.05255 -0.27395 0.01892 0.01978 0.32902 110 3PY 0.03746 0.04788 0.18474 -0.09217 0.03817 111 3PZ -0.00144 -0.29370 -0.16513 -0.24570 -0.02372 112 4XX -0.77638 -0.32345 0.50705 0.99762 -0.55846 113 4YY -0.69117 -0.27498 0.44726 0.87338 -0.63957 114 4ZZ -0.76218 -0.32070 0.52721 0.98261 -0.51846 115 4XY -0.01170 -0.00349 0.02672 0.04988 -0.03215 116 4XZ -0.01760 -0.06139 -0.00856 0.06510 -0.00585 117 4YZ 0.00491 -0.02029 -0.00694 -0.00403 0.00788 118 14 O 1S -0.01873 -0.09689 0.06217 -0.11355 0.05516 119 2S -0.04165 -0.20527 -0.03589 -0.09099 0.03454 120 2PX -0.03451 -0.00227 0.04231 0.04607 -0.02265 121 2PY 0.00352 0.02739 -0.05074 0.07976 -0.03094 122 2PZ -0.03322 -0.00118 0.03427 0.01606 -0.02038 123 3S 0.27395 1.47766 -0.67544 1.52615 -0.68394 124 3PX -0.02065 -0.14828 0.04665 -0.11360 -0.04069 125 3PY -0.10367 -0.36483 -0.07362 -0.10075 0.06042 126 3PZ 0.01882 -0.05678 0.08285 0.00380 0.00988 127 4XX -0.00346 -0.26599 0.16928 -0.44056 0.23211 128 4YY -0.07037 -0.25314 0.41481 -0.46476 0.18829 129 4ZZ -0.03438 -0.31311 0.17567 -0.43550 0.19874 130 4XY 0.04934 0.01878 -0.14322 0.02003 0.03238 131 4XZ 0.06869 0.07566 0.01341 -0.13462 0.04357 132 4YZ 0.02814 -0.01154 -0.14874 0.02486 0.02479 133 15 C 1S 0.06725 -0.05277 -0.40593 0.21152 0.00022 134 2S -0.25834 0.37088 2.24823 -1.34952 -0.00140 135 2PX 0.00836 0.05115 0.11162 -0.04492 -0.00005 136 2PY 0.00004 0.00000 -0.00002 0.00001 -0.00150 137 2PZ 0.00504 0.06353 0.10705 -0.04133 -0.00004 138 3S -0.67829 -0.51203 2.05280 -1.32863 -0.00136 139 3PX 0.13191 0.20291 -0.09313 -0.02950 -0.00002 140 3PY 0.00021 0.00001 -0.00001 -0.00013 0.14476 141 3PZ 0.09209 0.13859 -0.02571 -0.04791 -0.00006 142 4XX 0.21285 -0.22447 -1.53743 0.88458 0.00093 143 4YY 0.23199 -0.21314 -1.73833 0.98680 0.00101 144 4ZZ 0.22390 -0.24382 -1.56218 0.85064 0.00088 145 4XY 0.00003 0.00001 0.00001 -0.00002 0.00710 146 4XZ -0.03895 -0.03610 -0.03270 0.07872 0.00008 147 4YZ 0.00006 0.00002 -0.00002 0.00001 0.00643 148 16 C 1S -0.19134 -0.07301 0.14514 0.25563 0.11822 149 2S 1.23058 0.54279 -0.63415 -1.30850 -0.92909 150 2PX -0.05225 -0.01536 0.00532 0.01095 0.03726 151 2PY 0.06967 0.06630 0.00609 -0.03780 0.08651 152 2PZ -0.03588 -0.00412 0.04881 0.08640 0.03202 153 3S 0.46592 -0.12383 -0.41158 -1.23897 -0.31744 154 3PX 0.05131 -0.27430 0.01902 0.02046 -0.32892 155 3PY -0.03798 -0.04789 -0.18473 0.09209 0.03823 156 3PZ -0.00302 -0.29400 -0.16509 -0.24568 0.02321 157 4XX -0.77692 -0.32358 0.50708 0.99656 0.56063 158 4YY -0.69184 -0.27514 0.44729 0.87215 0.64146 159 4ZZ -0.76269 -0.32082 0.52724 0.98161 0.52061 160 4XY 0.01169 0.00351 -0.02672 -0.04982 -0.03224 161 4XZ -0.01774 -0.06143 -0.00855 0.06508 0.00598 162 4YZ -0.00494 0.02031 0.00692 0.00398 0.00792 163 17 H 1S 0.00423 0.05873 0.08712 -0.02326 -0.00003 164 2S 0.07079 -0.04076 -0.42369 0.27734 0.00028 165 18 H 1S 0.00038 0.06944 0.08061 -0.02107 -0.00002 166 2S 0.13000 0.03737 -0.44944 0.33235 0.00035 167 19 O 1S -0.01918 -0.09698 0.06219 -0.11344 -0.05537 168 2S -0.04234 -0.20542 -0.03586 -0.09092 -0.03469 169 2PX -0.03442 -0.00225 0.04231 0.04603 0.02274 170 2PY -0.00370 -0.02743 0.05073 -0.07971 -0.03111 171 2PZ -0.03322 -0.00119 0.03427 0.01600 0.02040 172 3S 0.27999 1.47888 -0.67569 1.52480 0.68677 173 3PX -0.02164 -0.14850 0.04670 -0.11367 0.04051 174 3PY 0.10461 0.36503 0.07356 0.10064 0.06063 175 3PZ 0.01839 -0.05680 0.08290 0.00387 -0.00981 176 4XX -0.00483 -0.26626 0.16932 -0.44012 -0.23296 177 4YY -0.07180 -0.25343 0.41480 -0.46439 -0.18916 178 4ZZ -0.03594 -0.31341 0.17578 -0.43513 -0.19955 179 4XY -0.04953 -0.01884 0.14323 -0.02006 0.03235 180 4XZ 0.06896 0.07571 0.01343 -0.13454 -0.04385 181 4YZ -0.02822 0.01153 0.14881 -0.02491 0.02475 182 20 H 1S 0.05446 0.05966 0.04198 0.05731 -0.08173 183 2S -0.17678 -0.22839 -0.07681 -0.01562 0.14854 184 21 H 1S 0.05451 0.05963 0.04197 0.05713 0.08186 185 2S -0.17669 -0.22842 -0.07688 -0.01548 -0.14866 186 22 H 1S 0.09940 0.01253 -0.08137 -0.07100 0.08950 187 2S -0.18667 -0.17305 0.01695 0.20818 -0.13697 188 23 H 1S 0.09950 0.01254 -0.08136 -0.07081 -0.08969 189 2S -0.18713 -0.17313 0.01695 0.20791 0.13737 186 187 188 189 V V V V Eigenvalues -- 4.44858 4.48935 4.64966 4.87452 1 1 C 1S 0.04269 -0.24219 -0.03737 0.11021 2 2S -0.21159 1.19032 0.30001 -0.33648 3 2PX 0.09755 -0.08946 -0.01816 0.05851 4 2PY 0.08024 0.11207 0.02021 0.02656 5 2PZ 0.08307 -0.06555 -0.01301 0.07665 6 3S -0.59459 2.23782 0.13890 -3.99622 7 3PX -0.15478 0.42209 -0.08788 -1.25052 8 3PY -0.05369 -0.47948 0.09228 0.81480 9 3PZ -0.11873 0.33629 -0.07152 -1.24673 10 4XX 0.21870 -0.88240 -0.17577 0.40020 11 4YY 0.18303 -1.09654 -0.25490 0.47301 12 4ZZ 0.22425 -0.90373 -0.16788 0.40653 13 4XY 0.10508 -0.05601 -0.05227 0.12983 14 4XZ 0.07640 -0.02443 -0.04123 0.07582 15 4YZ 0.07632 -0.05267 0.00125 0.11044 16 2 C 1S -0.31021 0.01778 0.06334 -0.39729 17 2S 1.68114 -0.20941 -0.63562 0.86927 18 2PX 0.01694 -0.06182 -0.02303 -0.03923 19 2PY 0.09742 -0.04329 -0.02359 0.23822 20 2PZ 0.00164 -0.06096 -0.02872 0.00259 21 3S 2.08473 -0.18196 -0.58319 5.57609 22 3PX 0.10561 0.23124 0.07556 0.02211 23 3PY -0.20669 0.16632 0.01745 -2.17161 24 3PZ 0.09642 0.15236 -0.18172 0.16649 25 4XX -1.20504 0.20788 0.35239 -1.24837 26 4YY -1.18913 0.11264 0.29741 -1.23878 27 4ZZ -1.30360 0.06130 0.44337 -1.26342 28 4XY -0.03522 0.04980 -0.04074 -0.05449 29 4XZ -0.10803 0.04980 0.03871 -0.08153 30 4YZ 0.01147 0.09008 -0.02059 -0.02979 31 3 C 1S 0.16802 0.21047 -0.29789 0.02103 32 2S -0.86775 -1.00737 1.24069 -0.07127 33 2PX -0.01012 -0.02444 -0.02140 -0.03681 34 2PY 0.02351 -0.03248 0.02922 0.01343 35 2PZ -0.07698 -0.03355 0.10518 0.09486 36 3S -1.27611 -1.69210 2.92584 -2.19377 37 3PX 0.00801 0.11101 0.25115 0.69988 38 3PY -0.12527 0.16539 -0.45993 0.12979 39 3PZ 0.23333 0.09175 -0.38998 0.65237 40 4XX 0.64217 0.75596 -1.00218 0.04238 41 4YY 0.57665 0.86651 -1.18723 0.08413 42 4ZZ 0.75199 0.74086 -1.07427 0.10625 43 4XY -0.02899 -0.02892 0.00100 -0.03453 44 4XZ 0.05155 -0.00090 -0.01518 0.05016 45 4YZ -0.09803 -0.01048 0.07549 -0.09364 46 4 C 1S 0.16796 -0.21062 0.29790 -0.02102 47 2S -0.86743 1.00812 -1.24071 0.07124 48 2PX -0.01012 0.02443 0.02139 0.03682 49 2PY -0.02349 -0.03248 0.02925 0.01345 50 2PZ -0.07698 0.03359 -0.10518 -0.09488 51 3S -1.27546 1.69324 -2.92599 2.19364 52 3PX 0.00798 -0.11092 -0.25117 -0.70018 53 3PY 0.12519 0.16529 -0.46005 0.12996 54 3PZ 0.23329 -0.09189 0.39000 -0.65218 55 4XX 0.64196 -0.75656 1.00222 -0.04234 56 4YY 0.57633 -0.86702 1.18726 -0.08405 57 4ZZ 0.75176 -0.74151 1.07434 -0.10622 58 4XY 0.02899 -0.02894 0.00100 -0.03455 59 4XZ 0.05160 0.00087 0.01519 -0.05014 60 4YZ 0.09797 -0.01056 0.07548 -0.09365 61 5 C 1S -0.31016 -0.01761 -0.06328 0.39729 62 2S 1.68112 0.20847 0.63533 -0.86942 63 2PX 0.01700 0.06180 0.02305 0.03931 64 2PY -0.09744 -0.04325 -0.02358 0.23824 65 2PZ 0.00166 0.06095 0.02870 -0.00256 66 3S 2.08441 0.18069 0.58305 -5.57575 67 3PX 0.10544 -0.23122 -0.07556 -0.02245 68 3PY 0.20670 0.16623 0.01752 -2.17167 69 3PZ 0.09640 -0.15249 0.18175 -0.16702 70 4XX -1.20500 -0.20717 -0.35218 1.24847 71 4YY -1.18902 -0.11206 -0.29716 1.23880 72 4ZZ -1.30349 -0.06053 -0.44316 1.26342 73 4XY 0.03526 0.04980 -0.04074 -0.05453 74 4XZ -0.10811 -0.04970 -0.03874 0.08149 75 4YZ -0.01137 0.09008 -0.02054 -0.02982 76 6 C 1S 0.04291 0.24212 0.03739 -0.11025 77 2S -0.21277 -1.18999 -0.30005 0.33664 78 2PX 0.09760 0.08941 0.01816 -0.05853 79 2PY -0.08014 0.11208 0.02022 0.02657 80 2PZ 0.08308 0.06551 0.01300 -0.07668 81 3S -0.59627 -2.23727 -0.13892 3.99626 82 3PX -0.15499 -0.42203 0.08787 1.25072 83 3PY 0.05334 -0.47934 0.09221 0.81448 84 3PZ -0.11886 -0.33623 0.07147 1.24696 85 4XX 0.21949 0.88209 0.17580 -0.40031 86 4YY 0.18413 1.09631 0.25495 -0.47322 87 4ZZ 0.22505 0.90342 0.16790 -0.40663 88 4XY -0.10515 -0.05591 -0.05225 0.12982 89 4XZ 0.07638 0.02437 0.04120 -0.07578 90 4YZ -0.07637 -0.05260 0.00127 0.11043 91 7 H 1S 0.00540 0.07287 0.00563 -0.04269 92 2S 0.02401 -0.06613 -0.11386 -0.30476 93 8 H 1S 0.05466 -0.03351 -0.00483 0.08319 94 2S -0.29992 -0.04589 0.07291 0.13425 95 9 H 1S -0.01869 -0.00392 -0.06363 0.04792 96 2S 0.21776 0.17492 -0.41157 -0.18187 97 10 H 1S -0.01871 0.00393 0.06364 -0.04796 98 2S 0.21773 -0.17522 0.41167 0.18205 99 11 H 1S 0.05468 0.03348 0.00481 -0.08322 100 2S -0.29985 0.04605 -0.07281 -0.13434 101 12 H 1S 0.00533 -0.07285 -0.00564 0.04273 102 2S 0.02413 0.06610 0.11383 0.30480 103 13 C 1S 0.00638 0.17840 0.24159 0.21141 104 2S 0.16501 -0.98182 -0.91668 -0.15206 105 2PX -0.00811 0.01936 -0.00520 -0.08698 106 2PY 0.00336 -0.09664 -0.10305 -0.04917 107 2PZ -0.01510 0.02680 0.11073 0.04976 108 3S -0.34604 -1.01646 -3.28307 -5.19255 109 3PX 0.09589 0.41257 -0.36037 -0.33781 110 3PY -0.12751 0.07951 1.05952 1.23621 111 3PZ -0.04656 0.34419 -0.93843 -1.67724 112 4XX -0.07551 0.72319 0.85726 0.48368 113 4YY -0.01712 0.85081 0.97504 0.67542 114 4ZZ -0.02142 0.68714 0.83956 0.56750 115 4XY 0.01693 0.02066 -0.00859 -0.00884 116 4XZ 0.01707 0.07022 -0.00944 -0.01513 117 4YZ -0.00892 0.04288 0.04808 0.04247 118 14 O 1S 0.02249 -0.02135 -0.07043 -0.15857 119 2S 0.01417 0.04377 -0.12982 -0.41045 120 2PX 0.00745 0.03177 0.02758 0.06403 121 2PY -0.01811 0.02829 0.03197 0.06995 122 2PZ 0.01785 0.00969 0.01486 0.00949 123 3S -0.30214 0.07701 1.41339 3.01499 124 3PX -0.05687 0.15150 -0.21133 -0.68387 125 3PY 0.08106 0.00396 -0.18121 -0.45753 126 3PZ -0.09210 0.14397 -0.03799 -0.20517 127 4XX 0.09224 -0.15376 -0.24671 -0.44276 128 4YY 0.09757 -0.07923 -0.24794 -0.51733 129 4ZZ 0.06841 -0.10337 -0.25730 -0.55335 130 4XY -0.02042 -0.06393 -0.02898 0.03263 131 4XZ 0.02567 -0.09107 -0.09142 0.00222 132 4YZ -0.01585 -0.05792 -0.02230 -0.00449 133 15 C 1S -0.08866 0.00003 0.00001 -0.00001 134 2S 0.39758 -0.00018 -0.00002 0.00001 135 2PX 0.04051 -0.00001 -0.00002 0.00001 136 2PY -0.00001 -0.01241 -0.02389 -0.07391 137 2PZ -0.00769 0.00000 -0.00001 0.00000 138 3S 0.79404 -0.00030 0.00007 0.00013 139 3PX -0.21555 0.00004 0.00001 -0.00006 140 3PY -0.00003 -0.15142 -0.07404 -0.10264 141 3PZ 0.06604 -0.00004 -0.00002 0.00000 142 4XX -0.33213 0.00013 0.00003 -0.00003 143 4YY -0.33353 0.00014 0.00003 -0.00004 144 4ZZ -0.31773 0.00012 0.00002 -0.00005 145 4XY 0.00000 0.01475 -0.01885 0.00689 146 4XZ 0.00226 0.00001 -0.00001 0.00001 147 4YZ 0.00000 -0.00054 -0.02228 -0.04361 148 16 C 1S 0.00626 -0.17829 -0.24163 -0.21136 149 2S 0.16556 0.98127 0.91679 0.15201 150 2PX -0.00816 -0.01937 0.00520 0.08700 151 2PY -0.00341 -0.09664 -0.10306 -0.04912 152 2PZ -0.01512 -0.02678 -0.11078 -0.04975 153 3S -0.34530 1.01608 3.28329 5.19210 154 3PX 0.09549 -0.41257 0.36043 0.33788 155 3PY 0.12763 0.07953 1.05942 1.23577 156 3PZ -0.04673 -0.34425 0.93883 1.67731 157 4XX -0.07595 -0.72275 -0.85740 -0.48357 158 4YY -0.01764 -0.85047 -0.97516 -0.67532 159 4ZZ -0.02183 -0.68671 -0.83967 -0.56734 160 4XY -0.01691 0.02066 -0.00859 -0.00885 161 4XZ 0.01701 -0.07020 0.00944 0.01515 162 4YZ 0.00894 0.04283 0.04804 0.04246 163 17 H 1S 0.02022 0.00000 -0.00001 0.00000 164 2S -0.02663 0.00003 -0.00001 0.00001 165 18 H 1S -0.02611 0.00001 -0.00001 -0.00001 166 2S -0.23889 0.00010 -0.00001 -0.00005 167 19 O 1S 0.02247 0.02131 0.07046 0.15858 168 2S 0.01409 -0.04382 0.12989 0.41044 169 2PX 0.00745 -0.03175 -0.02759 -0.06404 170 2PY 0.01810 0.02827 0.03199 0.06994 171 2PZ 0.01785 -0.00969 -0.01485 -0.00946 172 3S -0.30177 -0.07639 -1.41390 -3.01497 173 3PX -0.05702 -0.15152 0.21137 0.68386 174 3PY -0.08098 0.00407 -0.18133 -0.45750 175 3PZ -0.09225 -0.14389 0.03790 0.20502 176 4XX 0.09223 0.15358 0.24682 0.44277 177 4YY 0.09750 0.07909 0.24804 0.51740 178 4ZZ 0.06835 0.10318 0.25742 0.55335 179 4XY 0.02037 -0.06394 -0.02902 0.03263 180 4XZ 0.02576 0.09100 0.09143 -0.00221 181 4YZ 0.01581 -0.05792 -0.02231 -0.00449 182 20 H 1S -0.01389 -0.00434 -0.00314 -0.14580 183 2S 0.13785 -0.27350 0.14861 -0.16925 184 21 H 1S -0.01390 0.00438 0.00311 0.14581 185 2S 0.13799 0.27340 -0.14866 0.16919 186 22 H 1S 0.03107 0.03381 -0.07910 0.01535 187 2S 0.07592 0.31713 -0.14413 -0.19381 188 23 H 1S 0.03105 -0.03385 0.07913 -0.01538 189 2S 0.07574 -0.31708 0.14419 0.19382 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05271 2 2S -0.06213 0.32496 3 2PX 0.00133 0.00226 0.36897 4 2PY -0.00053 -0.00162 -0.00011 0.41335 5 2PZ -0.00083 0.00777 0.03332 0.00266 0.39023 6 3S -0.16067 0.24765 -0.01951 -0.01122 -0.02947 7 3PX 0.00664 -0.02275 0.18140 -0.01273 -0.07523 8 3PY -0.00378 0.01622 -0.01321 0.13842 0.02579 9 3PZ 0.00494 -0.01459 -0.05969 0.00573 0.16793 10 4XX -0.01431 -0.00947 0.00801 0.00593 -0.00344 11 4YY -0.01700 -0.00308 -0.00428 -0.01307 -0.00040 12 4ZZ -0.01611 -0.00535 -0.00689 0.01026 -0.00256 13 4XY 0.00088 -0.00123 0.00498 0.00024 0.01075 14 4XZ -0.00455 0.00944 -0.00068 0.00920 -0.00218 15 4YZ 0.00203 -0.00343 0.00949 -0.00196 0.01031 16 2 C 1S 0.01788 -0.03602 -0.05992 -0.03620 -0.04301 17 2S -0.03384 0.06176 0.12167 0.07533 0.08348 18 2PX 0.05515 -0.11750 0.00704 -0.13523 -0.24261 19 2PY 0.03904 -0.07543 -0.13784 -0.05069 -0.06401 20 2PZ 0.04364 -0.08981 -0.21177 -0.08009 -0.01514 21 3S -0.00917 0.03347 0.13112 0.04998 0.09079 22 3PX 0.01230 -0.03508 0.04973 -0.06231 -0.12909 23 3PY 0.00984 -0.02572 -0.05356 -0.00538 -0.02375 24 3PZ 0.00436 -0.01209 -0.09572 -0.03266 0.02876 25 4XX -0.00196 0.00317 -0.01089 0.00515 0.00700 26 4YY 0.00153 -0.00338 -0.00154 -0.01234 -0.00144 27 4ZZ 0.00017 -0.00118 0.00180 0.00099 -0.01328 28 4XY -0.00334 0.00665 0.00346 -0.00260 0.00806 29 4XZ -0.00415 0.00766 0.00321 0.00661 0.00046 30 4YZ -0.00299 0.00599 0.00806 -0.00167 0.00180 31 3 C 1S -0.00300 0.00562 0.00514 0.00155 0.01145 32 2S 0.00650 -0.01505 -0.01443 -0.00591 -0.02805 33 2PX -0.00839 0.02187 -0.00068 0.01087 0.03290 34 2PY 0.00131 -0.00319 -0.00229 0.00421 -0.00689 35 2PZ -0.01208 0.03132 0.04903 0.00702 0.02307 36 3S 0.00759 -0.01647 0.00175 0.01090 -0.07810 37 3PX -0.00454 0.00903 -0.00129 0.00744 0.01496 38 3PY 0.00411 -0.00873 -0.00735 0.00451 -0.02097 39 3PZ -0.00802 0.01863 0.04077 -0.00838 0.02259 40 4XX -0.00114 0.00235 -0.00086 0.00219 0.00526 41 4YY 0.00068 -0.00152 -0.00310 -0.00171 -0.00200 42 4ZZ -0.00030 0.00016 0.00630 0.00095 -0.00133 43 4XY -0.00024 0.00073 0.00134 -0.00013 -0.00012 44 4XZ -0.00130 0.00293 -0.00156 0.00304 0.00928 45 4YZ -0.00054 0.00141 0.00384 0.00173 0.00056 46 4 C 1S -0.00266 0.00503 0.00128 -0.00375 0.00577 47 2S 0.00479 -0.00883 0.00214 0.00681 -0.01508 48 2PX -0.00207 0.00444 -0.00674 -0.00763 0.00881 49 2PY 0.00390 -0.00856 -0.02849 -0.01160 -0.00380 50 2PZ -0.00786 0.01255 -0.01133 -0.02367 0.02037 51 3S 0.01324 -0.02298 -0.02357 0.03019 -0.00944 52 3PX -0.00106 0.00172 -0.00051 -0.00183 0.00167 53 3PY 0.00348 -0.00738 -0.02761 -0.00890 0.00192 54 3PZ -0.00485 0.00736 -0.00616 -0.02432 0.00454 55 4XX -0.00029 0.00034 -0.00037 0.00022 0.00077 56 4YY -0.00010 0.00024 0.00060 -0.00192 -0.00177 57 4ZZ 0.00024 -0.00041 0.00010 0.00197 0.00059 58 4XY -0.00007 0.00035 0.00023 0.00100 0.00059 59 4XZ 0.00019 -0.00044 0.00102 0.00088 -0.00064 60 4YZ -0.00020 0.00082 0.00128 0.00015 0.00008 61 5 C 1S -0.00340 0.00831 0.00083 -0.01224 0.00586 62 2S 0.00823 -0.01879 -0.00174 0.03290 -0.01500 63 2PX -0.00832 0.02655 -0.00638 -0.03169 0.02711 64 2PY 0.01167 -0.02675 -0.00246 0.03375 -0.00710 65 2PZ -0.00446 0.01368 0.02038 -0.01505 -0.00551 66 3S 0.00597 -0.02038 -0.03771 0.02417 -0.04544 67 3PX -0.00436 0.01394 -0.00491 -0.01850 0.03621 68 3PY 0.00283 -0.01068 -0.00154 -0.00563 -0.01117 69 3PZ -0.00411 0.00852 0.03957 -0.02546 -0.01415 70 4XX 0.00055 -0.00122 -0.00654 0.00245 0.00489 71 4YY -0.00184 0.00439 0.00163 -0.00978 0.00043 72 4ZZ 0.00071 -0.00116 0.00388 0.00242 -0.00350 73 4XY 0.00099 -0.00185 0.00106 0.00569 -0.00147 74 4XZ 0.00063 -0.00123 0.00247 0.00138 -0.00179 75 4YZ 0.00075 -0.00145 -0.00232 0.00452 0.00111 76 6 C 1S 0.01672 -0.03254 0.00480 0.07797 -0.00359 77 2S -0.03254 0.05577 -0.01029 -0.16058 0.00090 78 2PX 0.00478 -0.01026 0.11572 0.00847 -0.08833 79 2PY -0.07797 0.16058 -0.00853 -0.31237 0.00037 80 2PZ -0.00360 0.00093 -0.08834 -0.00042 0.08702 81 3S -0.00467 0.03450 -0.00798 -0.12660 0.05752 82 3PX 0.00094 0.00533 0.08530 0.01486 -0.03723 83 3PY -0.01400 0.04348 -0.01553 -0.09114 0.01190 84 3PZ -0.00371 0.00940 -0.04784 0.01854 0.07391 85 4XX 0.00249 -0.00552 0.00011 0.00873 -0.00017 86 4YY -0.00695 0.01218 0.00108 -0.00580 0.00050 87 4ZZ 0.00269 -0.00612 0.00091 0.00925 -0.00154 88 4XY 0.00016 0.00021 0.01297 -0.00146 -0.00018 89 4XZ 0.00058 -0.00150 0.00061 0.00312 0.00043 90 4YZ 0.00018 0.00010 0.00005 0.00021 0.01358 91 7 H 1S -0.06016 0.11224 -0.13264 0.13079 -0.18747 92 2S -0.01303 0.02496 -0.12150 0.11788 -0.18085 93 8 H 1S 0.01211 -0.02454 -0.02455 -0.03575 -0.01201 94 2S 0.01361 -0.02472 -0.04781 -0.07141 -0.01046 95 9 H 1S -0.00759 0.01927 0.00234 0.01532 0.03244 96 2S -0.01116 0.02904 -0.00204 0.02105 0.07097 97 10 H 1S -0.00059 0.00017 0.00194 -0.00229 -0.00061 98 2S -0.00092 -0.00024 0.00535 -0.00699 -0.00763 99 11 H 1S -0.00849 0.01865 0.00145 -0.03521 0.00130 100 2S -0.01195 0.02528 0.01054 -0.06878 0.00305 101 12 H 1S 0.01228 -0.02562 0.01876 0.04294 0.01319 102 2S 0.01464 -0.02568 0.03389 0.08633 0.03938 103 13 C 1S -0.00178 0.00269 0.00919 -0.00007 -0.00379 104 2S 0.00265 -0.00452 -0.02100 -0.00007 0.01060 105 2PX -0.00503 0.01912 0.03137 -0.00231 -0.00562 106 2PY 0.00170 -0.00504 -0.01828 0.00155 0.01159 107 2PZ 0.00224 -0.00609 -0.00583 0.00214 -0.00874 108 3S 0.00362 -0.01131 -0.05397 -0.00008 0.02765 109 3PX -0.00660 0.01009 0.00585 -0.00333 0.00106 110 3PY 0.00256 -0.00679 -0.01974 -0.00115 0.01112 111 3PZ 0.00154 -0.01149 -0.02472 0.00223 -0.00967 112 4XX -0.00079 0.00083 0.00598 -0.00039 -0.00412 113 4YY -0.00013 -0.00023 -0.00213 -0.00021 0.00109 114 4ZZ -0.00029 0.00012 -0.00135 -0.00021 0.00082 115 4XY -0.00016 0.00026 -0.00434 0.00101 0.00386 116 4XZ -0.00048 0.00093 -0.00196 0.00047 0.00187 117 4YZ -0.00029 0.00044 0.00517 -0.00091 -0.00430 118 14 O 1S 0.00025 -0.00140 -0.00322 -0.00047 0.00086 119 2S -0.00129 0.00318 0.00264 0.00153 0.00027 120 2PX 0.00317 -0.01246 -0.00852 -0.00185 -0.00690 121 2PY -0.00082 -0.00223 -0.00006 0.00070 0.00067 122 2PZ -0.00062 0.00105 0.00173 -0.00194 0.00447 123 3S 0.00114 0.00790 0.03874 0.00181 -0.01430 124 3PX 0.00189 -0.01051 -0.01370 -0.00021 -0.00372 125 3PY -0.00093 -0.00179 -0.00431 0.00012 0.00182 126 3PZ -0.00173 0.00209 -0.00205 -0.00177 0.00526 127 4XX -0.00008 -0.00055 -0.00230 0.00019 0.00099 128 4YY -0.00033 -0.00005 -0.00142 0.00003 0.00070 129 4ZZ -0.00035 0.00000 -0.00131 0.00040 0.00115 130 4XY -0.00003 0.00064 0.00059 0.00017 0.00032 131 4XZ 0.00017 0.00006 0.00018 0.00001 0.00009 132 4YZ 0.00007 0.00021 0.00132 -0.00016 -0.00089 133 15 C 1S -0.00034 0.00050 0.00186 0.00057 -0.00048 134 2S 0.00067 -0.00179 -0.00525 -0.00021 0.00168 135 2PX -0.00090 0.00227 0.00497 0.00063 -0.00143 136 2PY 0.00109 -0.00156 -0.00104 -0.00156 -0.00200 137 2PZ 0.00032 0.00003 0.00697 -0.00135 -0.00801 138 3S 0.00165 -0.00332 -0.01102 -0.00436 0.00234 139 3PX 0.00030 -0.00055 0.00236 0.00139 -0.00356 140 3PY 0.00028 -0.00057 -0.00142 -0.00024 0.00168 141 3PZ -0.00027 0.00123 0.01152 -0.00190 -0.00960 142 4XX -0.00023 0.00067 0.00161 0.00012 -0.00048 143 4YY 0.00009 -0.00031 -0.00023 -0.00001 0.00004 144 4ZZ 0.00007 -0.00029 -0.00126 0.00012 0.00031 145 4XY 0.00002 -0.00031 0.00120 -0.00028 -0.00135 146 4XZ -0.00003 0.00015 0.00061 -0.00025 -0.00047 147 4YZ -0.00011 0.00011 -0.00132 0.00029 0.00148 148 16 C 1S -0.00069 0.00137 0.01089 -0.00262 -0.00738 149 2S 0.00058 -0.00173 -0.02273 0.00401 0.01701 150 2PX -0.00297 0.00820 0.07781 -0.01577 -0.05630 151 2PY 0.00009 0.00136 0.01164 -0.00430 -0.01177 152 2PZ 0.00128 -0.00391 -0.05907 0.01022 0.04329 153 3S 0.00390 -0.00677 -0.05255 0.01290 0.03693 154 3PX -0.00129 0.00638 0.05986 -0.01205 -0.04005 155 3PY 0.00151 -0.00182 0.02888 -0.00199 -0.02421 156 3PZ 0.00188 -0.00093 -0.04678 0.01428 0.04464 157 4XX -0.00022 0.00029 0.00077 -0.00019 0.00000 158 4YY -0.00006 0.00020 -0.00040 -0.00036 0.00041 159 4ZZ -0.00029 0.00039 0.00168 -0.00028 -0.00081 160 4XY -0.00007 0.00073 0.00112 -0.00003 0.00003 161 4XZ -0.00015 0.00017 0.00113 -0.00034 -0.00070 162 4YZ 0.00021 -0.00063 -0.00166 0.00047 0.00061 163 17 H 1S -0.00094 0.00273 0.00763 -0.00022 -0.00253 164 2S -0.00200 0.00547 0.01683 -0.00112 -0.00554 165 18 H 1S 0.00063 -0.00138 -0.00488 0.00007 0.00086 166 2S 0.00066 -0.00226 -0.01326 0.00431 0.00874 167 19 O 1S 0.00003 0.00038 -0.00238 0.00041 0.00198 168 2S 0.00010 -0.00105 0.00425 -0.00032 -0.00298 169 2PX 0.00146 -0.00392 -0.04303 0.00710 0.03015 170 2PY -0.00082 -0.00067 -0.00104 -0.00082 0.00201 171 2PZ -0.00083 0.00297 0.03260 -0.00412 -0.02205 172 3S -0.00062 -0.00216 0.01710 -0.00387 -0.01805 173 3PX 0.00134 -0.00261 -0.03878 0.00824 0.03033 174 3PY -0.00076 -0.00013 -0.00032 -0.00031 0.00157 175 3PZ -0.00103 0.00346 0.03012 -0.00421 -0.01983 176 4XX 0.00009 -0.00010 -0.00275 0.00069 0.00236 177 4YY 0.00004 0.00005 -0.00045 0.00012 0.00073 178 4ZZ 0.00015 -0.00011 0.00128 0.00009 -0.00096 179 4XY 0.00003 -0.00009 -0.00141 0.00026 0.00123 180 4XZ 0.00002 -0.00004 0.00042 -0.00002 -0.00035 181 4YZ 0.00002 -0.00009 0.00003 0.00013 -0.00002 182 20 H 1S -0.00137 0.00184 -0.00285 0.00018 0.00657 183 2S -0.00228 0.00336 -0.01502 0.00379 0.01956 184 21 H 1S 0.00158 -0.00347 0.02933 -0.00310 -0.02866 185 2S 0.00142 -0.00405 0.02929 0.00013 -0.02536 186 22 H 1S 0.00083 -0.00296 -0.02683 0.00212 0.02059 187 2S 0.00005 -0.00132 -0.01968 0.00412 0.00495 188 23 H 1S 0.00040 -0.00107 0.00591 0.00079 -0.00432 189 2S 0.00059 -0.00059 0.02536 0.00061 -0.01693 6 7 8 9 10 6 3S 0.25010 7 3PX -0.00529 0.11999 8 3PY -0.00772 -0.02130 0.06237 9 3PZ -0.01273 -0.06578 0.01396 0.09330 10 4XX -0.00562 0.00526 -0.00006 -0.00248 0.00092 11 4YY -0.00311 -0.00157 -0.00297 0.00079 -0.00023 12 4ZZ -0.00246 -0.00263 0.00301 0.00047 0.00022 13 4XY -0.00261 -0.00016 -0.00037 0.00330 0.00019 14 4XZ 0.00814 -0.00040 0.00261 -0.00111 -0.00007 15 4YZ -0.00706 0.00159 0.00072 0.00212 -0.00003 16 2 C 1S 0.01167 -0.00739 -0.00604 0.00476 -0.00161 17 2S 0.01681 0.03363 0.00949 0.00613 0.00278 18 2PX -0.04583 0.07525 -0.09235 -0.09989 0.00836 19 2PY -0.10480 -0.06144 0.00969 -0.00561 -0.00424 20 2PZ -0.05017 -0.09000 -0.03204 0.03878 -0.00521 21 3S -0.02632 0.02878 0.00108 0.00197 0.00396 22 3PX 0.00784 0.06572 -0.05178 -0.06094 0.00568 23 3PY -0.01880 -0.01760 0.00218 0.00262 -0.00159 24 3PZ -0.00661 -0.05088 0.00023 0.03337 -0.00484 25 4XX 0.00431 -0.00751 0.00330 0.00592 -0.00025 26 4YY -0.00597 -0.00072 -0.00312 -0.00082 -0.00024 27 4ZZ 0.00227 0.00471 -0.00133 -0.00632 0.00025 28 4XY 0.00401 -0.00042 0.00006 0.00233 -0.00028 29 4XZ 0.00598 0.00115 0.00283 -0.00064 -0.00010 30 4YZ 0.00437 0.00323 0.00034 -0.00096 -0.00001 31 3 C 1S 0.00523 0.00086 0.00403 0.00806 -0.00046 32 2S -0.00899 0.00033 -0.00849 -0.01522 0.00036 33 2PX 0.02771 -0.00834 0.02935 0.02850 -0.00027 34 2PY 0.00917 0.00779 0.00646 -0.00236 0.00009 35 2PZ 0.00220 0.01028 0.03196 -0.00729 -0.00133 36 3S 0.01674 0.02532 -0.02144 -0.03851 0.00276 37 3PX 0.00631 -0.00640 0.01540 0.01190 -0.00006 38 3PY -0.01091 0.00284 0.00708 -0.00932 -0.00007 39 3PZ -0.00610 0.00785 0.01123 -0.00484 -0.00042 40 4XX 0.00156 -0.00185 0.00296 0.00260 -0.00019 41 4YY -0.00276 -0.00146 0.00003 -0.00033 -0.00015 42 4ZZ 0.00089 0.00367 -0.00188 -0.00192 0.00036 43 4XY 0.00124 0.00086 0.00104 0.00037 0.00004 44 4XZ 0.00203 -0.00284 0.00235 0.00494 -0.00027 45 4YZ -0.00073 0.00128 0.00183 -0.00127 0.00005 46 4 C 1S 0.01091 0.00010 -0.00349 0.00343 0.00000 47 2S -0.02105 0.00217 0.00598 -0.00989 0.00002 48 2PX 0.01314 -0.00580 -0.01727 0.00099 0.00032 49 2PY -0.01907 -0.01994 -0.00707 0.00331 -0.00082 50 2PZ 0.07871 0.00221 -0.02449 0.03397 -0.00066 51 3S -0.06109 -0.01894 0.02946 -0.00434 -0.00151 52 3PX 0.00822 -0.00075 -0.00912 -0.00001 0.00052 53 3PY -0.01691 -0.01748 -0.00054 0.00540 -0.00108 54 3PZ 0.04098 0.00210 -0.01699 0.01557 -0.00033 55 4XX 0.00343 0.00067 -0.00109 0.00115 0.00006 56 4YY 0.00111 0.00062 -0.00183 -0.00139 0.00004 57 4ZZ -0.00283 -0.00075 0.00254 0.00033 -0.00006 58 4XY 0.00078 0.00013 0.00123 0.00081 0.00002 59 4XZ -0.00001 0.00164 -0.00060 -0.00082 0.00009 60 4YZ -0.00127 -0.00001 0.00086 -0.00131 -0.00003 61 5 C 1S -0.00303 -0.00672 -0.00509 -0.00511 0.00018 62 2S -0.01977 0.00623 0.01885 -0.00130 -0.00040 63 2PX -0.05037 -0.04990 0.02126 -0.00967 -0.00314 64 2PY -0.09131 -0.00083 0.05080 0.00108 -0.00096 65 2PZ -0.01050 0.00962 -0.00765 -0.02947 0.00187 66 3S -0.00893 -0.00720 0.01227 -0.00386 0.00001 67 3PX -0.03723 -0.03354 0.01961 0.00655 -0.00305 68 3PY -0.02368 0.00135 0.00591 -0.00062 0.00037 69 3PZ 0.01303 0.03090 -0.01856 -0.02248 0.00163 70 4XX -0.00039 -0.00408 0.00039 0.00387 0.00008 71 4YY 0.00673 0.00057 -0.00498 -0.00061 -0.00015 72 4ZZ -0.00419 0.00209 0.00247 -0.00267 0.00001 73 4XY -0.00341 -0.00024 0.00201 -0.00151 0.00021 74 4XZ -0.00159 0.00231 0.00038 -0.00107 0.00001 75 4YZ -0.00237 -0.00190 0.00139 0.00022 0.00008 76 6 C 1S -0.00468 0.00094 0.01400 -0.00371 0.00249 77 2S 0.03451 0.00533 -0.04349 0.00939 -0.00552 78 2PX -0.00796 0.08530 0.01550 -0.04784 0.00010 79 2PY 0.12659 -0.01488 -0.09114 -0.01856 -0.00873 80 2PZ 0.05755 -0.03724 -0.01193 0.07391 -0.00017 81 3S -0.01750 -0.01591 -0.01404 0.02529 -0.00630 82 3PX -0.01591 0.04726 0.01987 -0.03342 -0.00086 83 3PY 0.01403 -0.01988 -0.01363 -0.00058 -0.00383 84 3PZ 0.02529 -0.03342 0.00058 0.04481 0.00015 85 4XX -0.00630 -0.00086 0.00383 0.00015 0.00022 86 4YY 0.01205 -0.00009 -0.00269 -0.00090 -0.00029 87 4ZZ -0.00574 0.00114 0.00259 -0.00105 0.00036 88 4XY -0.00225 0.00623 -0.00083 -0.00341 0.00031 89 4XZ -0.00359 0.00029 0.00186 0.00022 0.00000 90 4YZ -0.00428 -0.00435 0.00192 0.00545 -0.00020 91 7 H 1S 0.11509 -0.03241 0.03912 -0.05971 -0.00192 92 2S 0.05423 -0.01788 0.02559 -0.05144 0.00069 93 8 H 1S -0.06200 -0.01712 -0.00229 -0.00667 -0.00145 94 2S -0.05922 -0.02896 -0.00593 -0.00120 -0.00308 95 9 H 1S 0.01770 -0.00667 0.02873 0.01867 -0.00089 96 2S 0.02303 -0.01667 0.03781 0.03879 -0.00252 97 10 H 1S 0.01950 0.00705 -0.01408 0.00038 0.00055 98 2S 0.02803 0.01618 -0.02155 -0.00399 0.00080 99 11 H 1S 0.05609 0.00088 -0.03258 -0.00069 -0.00029 100 2S 0.06422 0.00664 -0.04800 -0.00210 -0.00007 101 12 H 1S -0.06039 -0.00249 0.01989 -0.00279 0.00081 102 2S -0.06761 -0.00572 0.03824 0.00226 0.00160 103 13 C 1S 0.00660 0.00950 0.00149 -0.00354 -0.00071 104 2S -0.01527 -0.02241 -0.00030 0.00661 0.00088 105 2PX -0.01132 0.02167 0.01371 -0.02091 -0.00527 106 2PY -0.00913 -0.01859 -0.00229 0.01558 0.00107 107 2PZ -0.00465 -0.01004 -0.00720 0.00056 0.00439 108 3S -0.00268 -0.04286 -0.01053 0.02490 0.00169 109 3PX -0.00189 0.00790 0.00921 -0.00564 -0.00394 110 3PY -0.00725 -0.01495 -0.00065 0.01187 0.00084 111 3PZ 0.00410 -0.01274 -0.00995 0.00643 0.00308 112 4XX -0.00147 0.00315 -0.00123 -0.00385 0.00026 113 4YY 0.00113 -0.00075 0.00027 0.00119 -0.00010 114 4ZZ 0.00123 -0.00017 0.00052 0.00131 -0.00016 115 4XY -0.00143 -0.00423 0.00158 0.00243 -0.00005 116 4XZ -0.00108 -0.00206 0.00124 0.00098 -0.00017 117 4YZ 0.00187 0.00492 -0.00049 -0.00297 0.00001 118 14 O 1S 0.00079 -0.00142 -0.00426 0.00192 0.00007 119 2S -0.00745 -0.00210 0.00989 -0.00330 -0.00017 120 2PX -0.01267 -0.00817 -0.01627 -0.00864 0.00236 121 2PY 0.03844 0.01578 0.00470 0.01122 -0.00047 122 2PZ 0.04573 0.02055 0.00925 0.01855 -0.00184 123 3S 0.00170 0.02453 0.01277 -0.01834 -0.00011 124 3PX -0.01068 -0.01123 -0.01247 -0.00388 0.00200 125 3PY 0.02535 0.00766 0.00281 0.00921 -0.00036 126 3PZ 0.03139 0.01284 0.00864 0.01390 -0.00202 127 4XX 0.00069 -0.00147 -0.00013 0.00156 0.00013 128 4YY -0.00216 -0.00173 -0.00044 0.00007 0.00000 129 4ZZ -0.00044 -0.00103 0.00032 0.00067 -0.00012 130 4XY -0.00004 0.00020 0.00066 0.00002 -0.00009 131 4XZ -0.00101 -0.00032 0.00012 -0.00034 -0.00002 132 4YZ -0.00164 0.00030 -0.00037 -0.00151 0.00002 133 15 C 1S 0.00279 0.00243 0.00033 -0.00011 -0.00014 134 2S -0.00557 -0.00496 -0.00172 0.00179 0.00027 135 2PX 0.01185 0.00676 0.00379 -0.00028 -0.00038 136 2PY -0.00972 -0.00404 -0.00215 -0.00346 0.00024 137 2PZ -0.00518 0.00459 -0.00088 -0.00843 -0.00017 138 3S -0.00762 -0.00954 -0.00351 0.00352 0.00052 139 3PX 0.00088 0.00233 0.00135 -0.00239 0.00000 140 3PY 0.00171 -0.00068 -0.00043 0.00243 -0.00004 141 3PZ 0.00308 0.01175 -0.00035 -0.00791 -0.00058 142 4XX 0.00206 0.00194 0.00033 -0.00015 -0.00011 143 4YY 0.00078 0.00019 0.00022 0.00015 0.00000 144 4ZZ -0.00281 -0.00202 -0.00042 -0.00013 0.00010 145 4XY 0.00118 0.00160 -0.00109 -0.00084 0.00006 146 4XZ -0.00047 0.00030 -0.00028 -0.00039 -0.00001 147 4YZ 0.00189 -0.00040 0.00074 0.00206 -0.00009 148 16 C 1S 0.00207 0.00807 -0.00240 -0.00513 -0.00017 149 2S 0.00404 -0.01433 0.00315 0.01321 0.00011 150 2PX 0.03492 0.07600 -0.02115 -0.03845 -0.00104 151 2PY 0.00094 0.01106 0.00159 -0.01329 -0.00105 152 2PZ -0.02184 -0.05769 0.01045 0.03310 0.00011 153 3S -0.01673 -0.04058 0.01633 0.02603 0.00024 154 3PX 0.01874 0.05288 -0.01493 -0.03147 0.00003 155 3PY -0.00029 0.02556 0.00054 -0.01795 -0.00019 156 3PZ -0.02371 -0.04985 0.01447 0.02776 -0.00002 157 4XX -0.00099 -0.00035 0.00038 0.00045 -0.00005 158 4YY -0.00034 -0.00066 -0.00015 -0.00027 0.00002 159 4ZZ 0.00145 0.00194 -0.00056 -0.00077 -0.00002 160 4XY -0.00062 0.00072 0.00100 -0.00074 -0.00027 161 4XZ 0.00230 0.00173 -0.00120 0.00001 0.00005 162 4YZ -0.00015 -0.00124 -0.00023 0.00098 0.00026 163 17 H 1S 0.01090 0.00930 0.00200 -0.00084 -0.00050 164 2S 0.01797 0.01861 0.00257 -0.00354 -0.00101 165 18 H 1S -0.01207 -0.00795 -0.00186 -0.00143 0.00039 166 2S -0.01738 -0.01862 -0.00056 0.00370 0.00096 167 19 O 1S -0.00543 -0.00314 0.00232 0.00044 0.00000 168 2S 0.01365 0.00674 -0.00621 0.00084 0.00009 169 2PX -0.02272 -0.04386 0.01549 0.02318 0.00031 170 2PY 0.01674 0.00766 -0.00397 0.01235 -0.00001 171 2PZ 0.01046 0.03159 -0.00332 -0.02613 -0.00068 172 3S 0.01897 0.01954 -0.00641 -0.00831 -0.00044 173 3PX -0.01853 -0.03921 0.01308 0.02231 0.00021 174 3PY 0.01304 0.00582 -0.00226 0.00876 -0.00012 175 3PZ 0.01212 0.02959 -0.00470 -0.02175 -0.00053 176 4XX -0.00048 -0.00241 0.00063 0.00160 0.00002 177 4YY 0.00033 -0.00017 -0.00018 0.00088 0.00002 178 4ZZ -0.00011 0.00105 -0.00029 -0.00081 0.00007 179 4XY -0.00099 -0.00170 0.00061 0.00083 0.00003 180 4XZ 0.00059 0.00058 -0.00016 -0.00001 0.00001 181 4YZ -0.00005 0.00005 -0.00005 -0.00032 0.00003 182 20 H 1S 0.02056 0.00050 0.00488 0.01533 -0.00054 183 2S 0.01847 -0.01192 0.00768 0.02316 -0.00055 184 21 H 1S -0.01230 0.01935 -0.00436 -0.03019 0.00081 185 2S -0.01121 0.01788 -0.00456 -0.02564 0.00164 186 22 H 1S -0.00649 -0.02163 0.00339 0.01690 -0.00102 187 2S -0.00200 -0.01156 0.00512 0.00921 -0.00140 188 23 H 1S 0.00813 0.00940 -0.00345 -0.00179 0.00094 189 2S 0.00618 0.02183 -0.00528 -0.01227 0.00117 11 12 13 14 15 11 4YY 0.00114 12 4ZZ -0.00019 0.00089 13 4XY 0.00000 -0.00032 0.00095 14 4XZ -0.00048 0.00026 -0.00017 0.00067 15 4YZ 0.00014 -0.00011 0.00042 -0.00028 0.00117 16 2 C 1S 0.00118 -0.00024 -0.00373 -0.00330 -0.00332 17 2S -0.00344 0.00008 0.00671 0.00637 0.00625 18 2PX 0.00220 -0.00219 -0.00236 -0.00296 -0.00857 19 2PY 0.01331 -0.00190 0.00163 -0.00724 0.00162 20 2PZ 0.00246 0.01017 -0.00838 0.00074 -0.00096 21 3S -0.00287 -0.00161 0.00854 0.00402 0.00762 22 3PX -0.00025 -0.00269 0.00000 -0.00055 -0.00548 23 3PY 0.00408 0.00056 0.00027 -0.00162 0.00013 24 3PZ 0.00198 0.00448 -0.00454 0.00042 0.00162 25 4XX -0.00020 0.00012 -0.00005 0.00004 -0.00034 26 4YY 0.00096 -0.00047 0.00024 -0.00056 0.00029 27 4ZZ -0.00037 0.00030 -0.00056 0.00018 -0.00043 28 4XY 0.00009 -0.00028 0.00027 0.00003 0.00026 29 4XZ -0.00031 0.00010 -0.00010 0.00045 0.00003 30 4YZ -0.00002 -0.00044 0.00010 -0.00005 0.00013 31 3 C 1S 0.00081 -0.00156 0.00079 -0.00073 0.00027 32 2S -0.00158 0.00302 -0.00173 0.00157 -0.00069 33 2PX 0.00138 -0.00377 0.00102 -0.00129 0.00015 34 2PY -0.00124 0.00210 -0.00250 0.00116 0.00024 35 2PZ 0.00397 -0.00733 0.00402 -0.00607 0.00075 36 3S -0.00435 0.00350 -0.00172 0.00278 -0.00357 37 3PX 0.00070 -0.00170 0.00039 -0.00059 0.00017 38 3PY 0.00008 0.00119 -0.00209 0.00026 -0.00024 39 3PZ 0.00203 -0.00434 0.00270 -0.00305 0.00127 40 4XX 0.00007 -0.00013 0.00006 -0.00013 0.00012 41 4YY 0.00035 -0.00004 0.00000 -0.00017 0.00008 42 4ZZ -0.00033 0.00002 0.00010 0.00024 -0.00004 43 4XY -0.00002 -0.00015 0.00001 -0.00004 -0.00002 44 4XZ -0.00010 0.00019 -0.00001 0.00024 0.00032 45 4YZ -0.00011 -0.00019 0.00008 -0.00013 -0.00005 46 4 C 1S -0.00020 -0.00037 -0.00004 0.00009 -0.00021 47 2S 0.00036 0.00057 0.00040 -0.00017 0.00066 48 2PX 0.00065 -0.00085 0.00037 -0.00006 -0.00122 49 2PY 0.00190 -0.00047 0.00034 -0.00073 -0.00083 50 2PZ 0.00059 -0.00074 -0.00159 0.00000 -0.00019 51 3S 0.00205 0.00193 -0.00050 -0.00078 0.00335 52 3PX -0.00004 -0.00043 0.00021 0.00014 -0.00073 53 3PY 0.00223 -0.00055 0.00015 -0.00102 -0.00066 54 3PZ 0.00057 -0.00069 -0.00145 -0.00003 -0.00060 55 4XX 0.00000 -0.00005 0.00006 0.00003 -0.00020 56 4YY -0.00008 0.00000 0.00012 0.00001 0.00000 57 4ZZ 0.00004 0.00005 -0.00026 -0.00002 0.00013 58 4XY -0.00002 -0.00008 0.00008 -0.00002 0.00000 59 4XZ 0.00005 -0.00005 0.00014 0.00004 -0.00038 60 4YZ 0.00008 -0.00019 0.00027 -0.00018 0.00006 61 5 C 1S -0.00096 -0.00025 0.00180 -0.00008 0.00116 62 2S 0.00214 0.00080 -0.00376 0.00016 -0.00224 63 2PX -0.00147 0.00075 -0.00179 -0.00173 0.01077 64 2PY 0.00422 0.00076 -0.00591 -0.00001 -0.00219 65 2PZ -0.00324 -0.00147 0.00819 -0.00049 -0.00079 66 3S 0.00135 0.00112 -0.00563 0.00036 -0.00433 67 3PX 0.00079 0.00046 -0.00236 -0.00133 0.00703 68 3PY 0.00088 -0.00001 -0.00276 0.00020 -0.00146 69 3PZ -0.00087 -0.00208 0.00456 -0.00042 -0.00175 70 4XX 0.00005 -0.00004 0.00039 -0.00001 -0.00032 71 4YY -0.00003 -0.00027 0.00013 -0.00009 0.00012 72 4ZZ -0.00001 0.00015 -0.00015 -0.00001 0.00047 73 4XY -0.00031 0.00018 0.00009 0.00005 0.00023 74 4XZ 0.00021 0.00003 -0.00008 0.00004 -0.00001 75 4YZ -0.00023 0.00018 0.00029 0.00004 0.00003 76 6 C 1S -0.00695 0.00269 -0.00016 0.00058 -0.00018 77 2S 0.01218 -0.00612 -0.00021 -0.00150 -0.00010 78 2PX 0.00109 0.00091 -0.01297 0.00061 -0.00005 79 2PY 0.00580 -0.00925 -0.00145 -0.00312 0.00022 80 2PZ 0.00050 -0.00155 0.00018 0.00043 -0.01358 81 3S 0.01205 -0.00574 0.00225 -0.00359 0.00428 82 3PX -0.00009 0.00114 -0.00623 0.00029 0.00435 83 3PY 0.00269 -0.00259 -0.00083 -0.00186 0.00193 84 3PZ -0.00090 -0.00106 0.00341 0.00022 -0.00545 85 4XX -0.00029 0.00036 -0.00031 0.00000 0.00020 86 4YY -0.00016 -0.00028 0.00013 0.00023 -0.00009 87 4ZZ -0.00028 0.00033 0.00028 0.00005 0.00003 88 4XY -0.00013 -0.00028 0.00043 -0.00005 0.00050 89 4XZ 0.00023 0.00005 0.00005 0.00004 0.00011 90 4YZ 0.00009 -0.00003 0.00050 -0.00011 0.00081 91 7 H 1S -0.00407 0.00550 -0.00785 0.00827 -0.01087 92 2S -0.00362 0.00647 -0.00774 0.00608 -0.01062 93 8 H 1S 0.00806 -0.00273 0.00411 -0.00313 0.00349 94 2S 0.00889 -0.00329 0.00215 -0.00474 0.00263 95 9 H 1S 0.00033 -0.00156 0.00015 -0.00073 0.00083 96 2S 0.00077 -0.00124 0.00046 -0.00081 0.00265 97 10 H 1S 0.00013 -0.00008 0.00000 0.00035 -0.00131 98 2S 0.00006 -0.00013 0.00028 0.00060 -0.00304 99 11 H 1S -0.00127 -0.00082 0.00167 -0.00027 0.00090 100 2S -0.00118 -0.00192 0.00249 -0.00048 0.00055 101 12 H 1S 0.00186 0.00080 0.00512 -0.00002 0.00716 102 2S -0.00151 0.00192 0.00529 0.00049 0.00782 103 13 C 1S 0.00004 -0.00029 -0.00017 0.00039 0.00066 104 2S -0.00016 0.00024 0.00053 -0.00088 -0.00094 105 2PX 0.00263 0.00291 -0.00297 0.00048 0.00435 106 2PY -0.00085 -0.00015 0.00044 -0.00018 -0.00114 107 2PZ -0.00130 -0.00243 0.00268 0.00039 -0.00363 108 3S -0.00169 0.00040 0.00083 -0.00036 -0.00243 109 3PX 0.00184 0.00224 -0.00266 0.00043 0.00313 110 3PY 0.00011 -0.00090 0.00134 -0.00057 -0.00123 111 3PZ -0.00116 -0.00129 0.00150 0.00028 -0.00358 112 4XX -0.00010 -0.00022 0.00008 0.00007 -0.00014 113 4YY 0.00008 0.00001 -0.00001 -0.00004 0.00004 114 4ZZ 0.00007 0.00017 -0.00011 0.00001 0.00009 115 4XY -0.00004 0.00002 -0.00003 0.00000 0.00001 116 4XZ 0.00010 0.00012 -0.00007 -0.00003 0.00009 117 4YZ 0.00007 0.00000 0.00001 0.00008 0.00002 118 14 O 1S -0.00006 -0.00013 -0.00001 -0.00007 -0.00018 119 2S 0.00022 0.00056 -0.00003 0.00008 0.00030 120 2PX -0.00167 -0.00254 0.00169 -0.00035 -0.00253 121 2PY -0.00014 -0.00020 -0.00006 0.00047 0.00051 122 2PZ 0.00100 0.00209 -0.00139 0.00009 0.00235 123 3S 0.00019 0.00009 0.00011 0.00016 0.00123 124 3PX -0.00128 -0.00180 0.00141 -0.00017 -0.00239 125 3PY -0.00012 -0.00005 -0.00014 0.00034 0.00031 126 3PZ 0.00108 0.00199 -0.00138 0.00012 0.00209 127 4XX -0.00005 -0.00002 0.00009 0.00000 -0.00014 128 4YY 0.00002 0.00003 0.00000 -0.00002 -0.00005 129 4ZZ 0.00001 0.00007 -0.00009 0.00001 0.00008 130 4XY 0.00007 0.00009 -0.00006 0.00000 0.00010 131 4XZ 0.00001 0.00003 -0.00001 -0.00002 0.00002 132 4YZ 0.00000 -0.00006 0.00002 -0.00001 -0.00002 133 15 C 1S -0.00001 -0.00005 -0.00008 0.00009 0.00010 134 2S -0.00017 0.00000 0.00016 -0.00011 -0.00026 135 2PX 0.00030 0.00020 -0.00013 0.00023 0.00037 136 2PY 0.00004 0.00020 -0.00006 -0.00024 -0.00019 137 2PZ 0.00010 0.00011 -0.00029 0.00014 0.00024 138 3S -0.00031 -0.00026 0.00027 -0.00021 -0.00048 139 3PX -0.00001 0.00012 -0.00013 0.00011 0.00014 140 3PY -0.00003 0.00003 -0.00009 -0.00008 0.00011 141 3PZ 0.00029 0.00067 -0.00046 0.00021 0.00057 142 4XX 0.00009 0.00013 -0.00005 0.00004 0.00009 143 4YY -0.00002 0.00000 0.00001 -0.00002 0.00002 144 4ZZ -0.00006 -0.00011 0.00004 -0.00001 -0.00009 145 4XY -0.00004 -0.00008 0.00006 0.00002 -0.00010 146 4XZ 0.00002 0.00001 -0.00002 0.00000 0.00001 147 4YZ 0.00003 0.00004 -0.00007 0.00001 0.00012 148 16 C 1S -0.00007 -0.00009 -0.00015 0.00014 0.00012 149 2S 0.00011 0.00012 0.00040 -0.00022 -0.00031 150 2PX 0.00086 0.00078 -0.00032 0.00094 0.00042 151 2PY 0.00089 0.00044 -0.00083 -0.00027 0.00109 152 2PZ -0.00024 -0.00055 -0.00062 -0.00048 0.00030 153 3S 0.00068 -0.00088 0.00199 -0.00100 -0.00082 154 3PX 0.00029 0.00002 0.00069 0.00051 -0.00006 155 3PY 0.00078 -0.00009 -0.00034 -0.00015 0.00064 156 3PZ -0.00031 -0.00039 0.00057 -0.00056 0.00063 157 4XX 0.00003 -0.00002 -0.00023 0.00002 0.00018 158 4YY 0.00000 -0.00001 0.00009 -0.00003 -0.00004 159 4ZZ -0.00001 0.00004 0.00008 0.00004 -0.00003 160 4XY 0.00012 0.00015 -0.00017 0.00000 0.00028 161 4XZ -0.00001 -0.00003 0.00010 0.00003 -0.00011 162 4YZ -0.00010 -0.00014 0.00022 0.00001 -0.00028 163 17 H 1S 0.00037 0.00047 -0.00021 0.00017 0.00044 164 2S 0.00070 0.00082 -0.00047 0.00027 0.00086 165 18 H 1S -0.00023 -0.00041 0.00014 -0.00006 -0.00038 166 2S -0.00051 -0.00114 0.00053 -0.00017 -0.00089 167 19 O 1S -0.00004 0.00000 0.00015 -0.00004 -0.00002 168 2S 0.00004 -0.00011 -0.00016 0.00009 -0.00007 169 2PX -0.00041 -0.00058 -0.00003 -0.00051 0.00033 170 2PY -0.00024 -0.00028 0.00001 0.00026 -0.00006 171 2PZ 0.00034 0.00066 0.00025 0.00007 0.00020 172 3S 0.00028 0.00054 -0.00178 0.00022 0.00067 173 3PX -0.00031 -0.00046 0.00025 -0.00043 0.00026 174 3PY -0.00018 -0.00004 -0.00020 0.00024 0.00007 175 3PZ 0.00030 0.00051 0.00043 0.00015 0.00008 176 4XX -0.00002 -0.00001 0.00007 -0.00002 -0.00004 177 4YY -0.00002 -0.00004 0.00007 0.00000 -0.00003 178 4ZZ -0.00002 -0.00003 0.00009 0.00001 -0.00008 179 4XY -0.00003 -0.00003 0.00002 -0.00002 0.00001 180 4XZ 0.00000 0.00000 -0.00001 0.00001 -0.00001 181 4YZ -0.00002 0.00000 0.00006 0.00000 -0.00005 182 20 H 1S -0.00031 0.00069 -0.00159 0.00023 0.00150 183 2S -0.00064 0.00071 -0.00181 0.00036 0.00143 184 21 H 1S -0.00014 -0.00072 0.00062 -0.00133 -0.00077 185 2S -0.00013 -0.00169 0.00141 -0.00151 -0.00146 186 22 H 1S 0.00002 0.00110 -0.00076 -0.00068 0.00057 187 2S 0.00026 0.00140 -0.00166 -0.00025 0.00089 188 23 H 1S -0.00043 -0.00018 0.00129 0.00016 -0.00121 189 2S -0.00052 -0.00024 0.00125 0.00024 -0.00070 16 17 18 19 20 16 2 C 1S 2.05499 17 2S -0.06133 0.32633 18 2PX 0.00315 -0.00484 0.35440 19 2PY -0.00192 -0.00376 0.02302 0.41151 20 2PZ 0.00214 0.00093 0.04001 -0.00391 0.38399 21 3S -0.19781 0.29070 0.01225 0.00351 -0.02807 22 3PX -0.00758 0.01604 0.19637 -0.01983 -0.03217 23 3PY 0.00758 0.00820 0.00467 0.13002 0.01758 24 3PZ 0.00298 -0.00462 -0.04853 0.01429 0.17020 25 4XX -0.01132 -0.01296 -0.00889 -0.00494 -0.00137 26 4YY -0.01838 0.00158 0.00429 0.02195 -0.00252 27 4ZZ -0.01398 -0.00730 0.00781 -0.01079 0.00470 28 4XY -0.00162 0.00345 -0.00761 0.00005 -0.00415 29 4XZ -0.00249 0.00560 -0.00453 -0.00528 -0.00116 30 4YZ 0.00081 -0.00153 -0.00335 -0.00229 -0.01081 31 3 C 1S 0.01252 -0.02297 -0.02143 0.02956 -0.05184 32 2S -0.02336 0.03914 0.04299 -0.05548 0.10796 33 2PX 0.01708 -0.03372 0.00051 0.02748 -0.08299 34 2PY -0.02350 0.04868 0.02058 -0.03157 0.11041 35 2PZ 0.06431 -0.13740 -0.10107 0.12209 -0.23451 36 3S 0.00258 0.02396 0.09358 -0.11182 0.08683 37 3PX 0.00270 -0.01328 -0.00002 0.01603 -0.03734 38 3PY -0.00571 0.01148 0.01359 0.00260 0.05339 39 3PZ 0.01309 -0.04402 -0.04350 0.05775 -0.11715 40 4XX 0.00197 -0.00450 -0.00736 0.00167 -0.00375 41 4YY 0.00081 -0.00222 -0.00072 0.00983 -0.00224 42 4ZZ -0.00456 0.00848 0.00573 -0.00739 0.00103 43 4XY 0.00115 -0.00204 0.00143 -0.00103 -0.00361 44 4XZ -0.00264 0.00524 -0.00785 -0.00344 0.00571 45 4YZ 0.00410 -0.00767 -0.00393 -0.00341 -0.00869 46 4 C 1S -0.00202 0.00420 0.00310 -0.00914 0.00489 47 2S 0.00459 -0.00918 -0.00432 0.01813 -0.01663 48 2PX -0.00180 0.00337 0.00565 -0.00361 0.00159 49 2PY 0.01024 -0.02612 -0.00236 0.03529 -0.03068 50 2PZ -0.00336 0.01374 0.00368 -0.00754 0.02387 51 3S -0.00082 -0.01381 -0.04768 0.07650 0.00219 52 3PX 0.00044 0.00408 0.00896 -0.00860 -0.00185 53 3PY 0.00685 -0.01928 -0.00922 0.05188 -0.01857 54 3PZ 0.00016 0.00716 0.01325 -0.00332 0.01589 55 4XX -0.00043 0.00105 0.00160 -0.00085 -0.00003 56 4YY -0.00057 0.00088 0.00257 -0.00192 0.00053 57 4ZZ 0.00018 -0.00091 -0.00295 0.00150 0.00092 58 4XY 0.00034 -0.00060 0.00054 0.00070 -0.00295 59 4XZ -0.00007 0.00012 0.00227 -0.00068 -0.00232 60 4YZ 0.00151 -0.00341 -0.00257 0.00454 -0.00723 61 5 C 1S -0.00468 0.00678 0.00443 -0.01024 -0.00218 62 2S 0.00678 -0.01943 -0.01493 0.02846 0.00306 63 2PX 0.00444 -0.01494 -0.09410 0.02688 0.03865 64 2PY 0.01024 -0.02846 -0.02686 0.03618 0.01453 65 2PZ -0.00218 0.00306 0.03865 -0.01452 -0.06998 66 3S 0.02825 -0.03182 0.02299 0.03182 0.02406 67 3PX 0.00346 -0.01217 -0.08552 0.02906 0.03407 68 3PY 0.01062 -0.00751 0.01954 -0.01165 0.01762 69 3PZ -0.00234 0.00645 0.04464 -0.01710 -0.05610 70 4XX -0.00045 -0.00045 0.00092 0.00052 -0.00105 71 4YY -0.00084 0.00068 0.00196 -0.00122 -0.00053 72 4ZZ -0.00046 0.00014 -0.00232 0.00074 0.00066 73 4XY -0.00044 0.00070 -0.00076 -0.00097 -0.00146 74 4XZ 0.00005 0.00038 0.00001 -0.00024 0.00002 75 4YZ 0.00001 -0.00004 -0.00161 0.00042 -0.00128 76 6 C 1S -0.00340 0.00823 -0.00832 -0.01167 -0.00446 77 2S 0.00831 -0.01879 0.02655 0.02675 0.01369 78 2PX 0.00083 -0.00174 -0.00638 0.00246 0.02038 79 2PY 0.01224 -0.03290 0.03169 0.03373 0.01505 80 2PZ 0.00587 -0.01501 0.02711 0.00710 -0.00551 81 3S -0.00303 -0.01977 -0.05034 0.09132 -0.01049 82 3PX -0.00672 0.00622 -0.04989 0.00085 0.00961 83 3PY 0.00510 -0.01885 -0.02123 0.05079 0.00766 84 3PZ -0.00511 -0.00130 -0.00966 -0.00106 -0.02947 85 4XX 0.00018 -0.00040 -0.00314 0.00096 0.00187 86 4YY -0.00096 0.00214 -0.00147 -0.00421 -0.00324 87 4ZZ -0.00025 0.00080 0.00075 -0.00076 -0.00147 88 4XY -0.00180 0.00376 0.00179 -0.00591 -0.00819 89 4XZ -0.00009 0.00016 -0.00173 0.00001 -0.00049 90 4YZ -0.00116 0.00224 -0.01077 -0.00219 0.00079 91 7 H 1S 0.01338 -0.02791 0.03271 0.00421 0.03215 92 2S 0.01887 -0.03229 0.07741 -0.00143 0.06794 93 8 H 1S -0.05969 0.11295 0.02943 0.26416 -0.02261 94 2S -0.01311 0.02597 0.00928 0.24494 -0.02195 95 9 H 1S 0.00809 -0.01963 -0.02500 0.00184 -0.02345 96 2S 0.01421 -0.02688 -0.08199 0.01218 -0.02899 97 10 H 1S -0.00421 0.01108 0.01223 -0.01109 0.01091 98 2S -0.00628 0.01442 0.02776 -0.02015 0.01333 99 11 H 1S -0.00252 0.00795 0.01087 -0.00924 -0.00291 100 2S -0.00361 0.01394 0.03432 -0.02541 -0.00578 101 12 H 1S -0.00753 0.01707 -0.03031 -0.01510 -0.01497 102 2S -0.01234 0.02410 -0.06563 -0.03044 -0.02984 103 13 C 1S -0.00195 0.00260 -0.00844 0.00428 0.00245 104 2S 0.00085 -0.01172 0.01025 -0.00287 -0.00673 105 2PX 0.00438 -0.00254 -0.10007 0.03474 0.05651 106 2PY 0.00057 -0.00518 0.02519 -0.01767 -0.00962 107 2PZ -0.00771 0.01090 0.08813 -0.02312 -0.05947 108 3S 0.01939 -0.00898 0.03369 -0.03756 0.01771 109 3PX -0.00116 0.00241 -0.06897 0.02648 0.05827 110 3PY -0.00042 -0.00593 0.01876 0.00967 -0.01997 111 3PZ 0.00289 0.00279 0.07191 -0.01844 -0.02544 112 4XX -0.00166 0.00291 0.00639 -0.00236 -0.00506 113 4YY -0.00015 -0.00072 -0.00200 0.00233 0.00114 114 4ZZ 0.00005 -0.00093 -0.00300 0.00031 0.00308 115 4XY 0.00065 -0.00175 -0.00232 -0.00081 0.00135 116 4XZ 0.00087 -0.00215 -0.00444 0.00155 0.00101 117 4YZ -0.00069 0.00189 0.00161 0.00050 -0.00103 118 14 O 1S -0.00006 0.00124 0.00404 -0.00016 0.00063 119 2S 0.00144 -0.00357 -0.00922 0.00011 0.00160 120 2PX -0.00871 0.01382 0.06018 -0.01145 -0.01992 121 2PY 0.00185 -0.00158 -0.00860 -0.00100 0.00434 122 2PZ 0.00815 -0.00917 -0.05232 0.01312 0.02773 123 3S -0.00560 -0.00092 -0.01762 0.00057 -0.01792 124 3PX -0.00393 0.01001 0.05169 -0.01067 -0.01445 125 3PY 0.00167 -0.00082 -0.00514 -0.00137 0.00722 126 3PZ 0.00725 -0.00761 -0.04912 0.01409 0.03125 127 4XX 0.00024 -0.00022 0.00249 -0.00102 -0.00083 128 4YY 0.00041 0.00028 0.00014 0.00053 0.00077 129 4ZZ 0.00077 -0.00013 -0.00221 0.00025 0.00242 130 4XY 0.00030 -0.00069 -0.00263 0.00048 0.00036 131 4XZ 0.00009 -0.00043 -0.00078 0.00004 0.00006 132 4YZ -0.00035 0.00059 0.00104 0.00015 -0.00079 133 15 C 1S 0.00031 0.00016 -0.00230 0.00028 0.00028 134 2S -0.00014 0.00012 0.00528 -0.00125 -0.00036 135 2PX 0.00106 -0.00104 -0.00789 0.00129 0.00106 136 2PY -0.00029 0.00035 0.00361 0.00069 0.00186 137 2PZ -0.00089 0.00172 -0.00117 0.00103 0.00274 138 3S -0.00167 -0.00067 0.01412 -0.00313 -0.00049 139 3PX 0.00070 0.00067 -0.00054 -0.00011 0.00161 140 3PY 0.00010 -0.00080 -0.00120 -0.00034 0.00116 141 3PZ -0.00012 0.00145 -0.01063 0.00170 0.00866 142 4XX 0.00047 -0.00028 -0.00260 0.00032 0.00062 143 4YY 0.00012 -0.00014 -0.00035 0.00024 0.00036 144 4ZZ -0.00034 0.00032 0.00261 -0.00051 -0.00089 145 4XY -0.00036 0.00075 0.00234 -0.00068 -0.00100 146 4XZ -0.00011 0.00015 0.00004 0.00017 -0.00005 147 4YZ 0.00050 -0.00078 -0.00242 0.00047 0.00097 148 16 C 1S -0.00096 0.00324 0.00345 -0.00441 -0.00066 149 2S 0.00309 -0.00397 -0.00801 0.00651 0.00422 150 2PX -0.00602 0.01970 0.00550 -0.00668 -0.00167 151 2PY 0.00166 -0.00257 -0.02186 0.01611 0.01217 152 2PZ 0.00543 -0.01608 -0.01141 0.00646 0.00573 153 3S -0.00390 -0.01547 -0.01235 0.04107 -0.01991 154 3PX -0.00525 0.01582 0.01447 -0.00809 -0.01702 155 3PY -0.00344 0.00096 -0.00298 0.01500 -0.01066 156 3PZ 0.00095 -0.01385 -0.02188 0.00945 -0.00461 157 4XX -0.00015 0.00009 -0.00100 -0.00029 0.00082 158 4YY 0.00008 -0.00002 0.00029 0.00010 -0.00048 159 4ZZ -0.00011 0.00080 0.00016 -0.00085 0.00001 160 4XY 0.00037 -0.00017 -0.00560 0.00230 0.00325 161 4XZ -0.00016 0.00052 0.00162 -0.00076 -0.00149 162 4YZ -0.00043 0.00030 0.00505 -0.00154 -0.00330 163 17 H 1S 0.00142 -0.00087 -0.01077 0.00153 0.00282 164 2S 0.00191 -0.00083 -0.02156 0.00370 0.00565 165 18 H 1S -0.00145 0.00102 0.00985 -0.00186 -0.00338 166 2S -0.00191 0.00050 0.01930 -0.00327 -0.01361 167 19 O 1S -0.00022 -0.00083 -0.00029 0.00057 -0.00038 168 2S -0.00032 0.00189 0.00260 -0.00159 -0.00241 169 2PX 0.00196 -0.01053 -0.00511 0.00636 0.00385 170 2PY -0.00012 0.00069 0.00505 -0.00592 -0.00207 171 2PZ -0.00038 0.00618 -0.01086 0.00506 0.00367 172 3S 0.00417 0.00260 -0.00468 -0.00354 0.01629 173 3PX 0.00087 -0.00950 -0.00800 0.00668 0.00037 174 3PY 0.00084 0.00063 0.00068 -0.00534 0.00212 175 3PZ -0.00100 0.00695 -0.00653 0.00313 0.00013 176 4XX 0.00013 -0.00070 -0.00054 0.00032 -0.00035 177 4YY -0.00035 0.00001 0.00039 -0.00001 -0.00100 178 4ZZ -0.00059 0.00049 0.00161 -0.00047 -0.00143 179 4XY -0.00006 -0.00032 0.00006 -0.00005 -0.00023 180 4XZ -0.00001 0.00012 0.00024 -0.00009 -0.00015 181 4YZ 0.00000 0.00005 0.00046 -0.00022 -0.00048 182 20 H 1S -0.00194 0.00810 -0.00892 -0.00400 0.02445 183 2S -0.00257 0.00829 -0.01196 -0.01248 0.03388 184 21 H 1S 0.00810 -0.02346 -0.00301 0.00515 -0.02613 185 2S 0.01255 -0.02988 0.00776 0.01033 -0.05902 186 22 H 1S 0.00600 -0.01492 -0.02504 0.00206 0.02148 187 2S 0.00674 -0.01323 -0.02736 0.00706 0.02822 188 23 H 1S -0.00217 0.00570 0.01886 -0.00820 -0.01269 189 2S -0.00428 0.00822 0.02244 -0.01240 -0.02171 21 22 23 24 25 21 3S 0.30063 22 3PX 0.02129 0.12487 23 3PY -0.00563 -0.00624 0.05321 24 3PZ -0.02582 -0.05271 0.01514 0.09659 25 4XX -0.01129 -0.00518 -0.00167 0.00075 0.00149 26 4YY 0.00386 0.00114 0.00652 -0.00038 -0.00052 27 4ZZ -0.00678 0.00449 -0.00330 -0.00006 0.00007 28 4XY 0.00321 -0.00319 -0.00011 -0.00028 0.00000 29 4XZ 0.00351 -0.00169 -0.00145 0.00063 -0.00001 30 4YZ -0.00060 -0.00006 -0.00162 -0.00357 0.00014 31 3 C 1S -0.00158 -0.00447 0.00708 -0.00574 0.00165 32 2S 0.01520 0.01064 -0.01664 0.02430 -0.00383 33 2PX -0.03856 0.00011 0.00297 -0.01549 0.00730 34 2PY 0.03621 0.00744 -0.01298 0.05084 -0.00065 35 2PZ -0.11064 -0.03884 0.01884 -0.09077 0.00545 36 3S 0.00025 0.04851 -0.02853 -0.00063 -0.00365 37 3PX -0.01153 -0.00164 -0.00036 -0.00754 0.00317 38 3PY 0.00988 0.00133 -0.00475 0.02377 -0.00081 39 3PZ -0.02319 -0.01622 0.00275 -0.04787 0.00129 40 4XX -0.00464 -0.00411 -0.00008 0.00009 0.00055 41 4YY -0.00177 -0.00125 0.00342 -0.00014 -0.00011 42 4ZZ 0.00861 0.00455 -0.00229 -0.00148 -0.00043 43 4XY -0.00248 0.00119 -0.00060 -0.00105 0.00026 44 4XZ 0.00331 -0.00505 -0.00034 0.00512 0.00024 45 4YZ -0.00613 -0.00155 -0.00276 -0.00415 0.00030 46 4 C 1S 0.00385 0.00368 -0.00396 0.00182 0.00030 47 2S -0.00945 -0.00480 0.00899 -0.00699 -0.00104 48 2PX 0.01290 -0.00201 -0.00014 -0.00416 0.00016 49 2PY -0.02808 -0.00942 0.01240 -0.02231 -0.00101 50 2PZ -0.00623 0.01452 0.02513 0.02494 0.00235 51 3S -0.01019 -0.04237 0.02365 0.01384 -0.00084 52 3PX 0.00770 0.00407 -0.00201 -0.00494 0.00010 53 3PY -0.01837 -0.01155 0.01565 -0.00894 -0.00038 54 3PZ -0.00340 0.01370 0.01143 0.01345 0.00079 55 4XX 0.00059 0.00185 0.00079 -0.00002 0.00012 56 4YY 0.00051 0.00138 -0.00036 -0.00117 -0.00021 57 4ZZ -0.00049 -0.00227 -0.00067 0.00161 0.00010 58 4XY -0.00113 0.00075 0.00018 -0.00084 0.00020 59 4XZ -0.00028 0.00192 -0.00021 -0.00237 -0.00014 60 4YZ -0.00211 -0.00124 0.00039 -0.00342 0.00004 61 5 C 1S 0.02825 0.00346 -0.01062 -0.00234 -0.00045 62 2S -0.03182 -0.01217 0.00751 0.00645 -0.00045 63 2PX 0.02300 -0.08553 -0.01955 0.04464 0.00092 64 2PY -0.03183 -0.02905 -0.01164 0.01710 -0.00052 65 2PZ 0.02405 0.03407 -0.01761 -0.05610 -0.00105 66 3S -0.04410 0.00580 0.00615 0.01062 0.00048 67 3PX 0.00581 -0.07056 -0.00673 0.04022 0.00074 68 3PY -0.00615 0.00673 -0.01300 0.00672 -0.00022 69 3PZ 0.01062 0.04023 -0.00671 -0.04212 -0.00188 70 4XX 0.00048 0.00074 0.00022 -0.00188 0.00045 71 4YY 0.00050 0.00168 0.00039 -0.00021 -0.00016 72 4ZZ 0.00055 -0.00204 -0.00018 0.00145 -0.00017 73 4XY 0.00203 -0.00098 -0.00099 -0.00105 0.00001 74 4XZ -0.00018 -0.00004 0.00026 -0.00010 -0.00019 75 4YZ 0.00050 -0.00116 0.00007 -0.00136 0.00007 76 6 C 1S 0.00597 -0.00436 -0.00283 -0.00411 0.00055 77 2S -0.02039 0.01395 0.01068 0.00852 -0.00122 78 2PX -0.03770 -0.00490 0.00152 0.03958 -0.00654 79 2PY -0.02415 0.01849 -0.00564 0.02545 -0.00245 80 2PZ -0.04547 0.03621 0.01117 -0.01414 0.00490 81 3S -0.00894 -0.03722 0.02368 0.01302 -0.00039 82 3PX -0.00719 -0.03354 -0.00136 0.03089 -0.00408 83 3PY -0.01227 -0.01960 0.00590 0.01855 -0.00039 84 3PZ -0.00388 0.00655 0.00063 -0.02248 0.00387 85 4XX 0.00002 -0.00305 -0.00037 0.00162 0.00008 86 4YY 0.00135 0.00079 -0.00088 -0.00087 0.00005 87 4ZZ 0.00112 0.00046 0.00001 -0.00208 -0.00004 88 4XY 0.00563 0.00236 -0.00276 -0.00457 -0.00039 89 4XZ 0.00037 -0.00133 -0.00020 -0.00042 -0.00001 90 4YZ 0.00433 -0.00703 -0.00146 0.00175 0.00032 91 7 H 1S -0.05771 0.01770 0.01040 0.00730 0.00307 92 2S -0.05898 0.03769 0.01145 0.01284 0.00157 93 8 H 1S 0.11235 0.00498 0.08410 -0.00405 -0.00852 94 2S 0.03320 -0.01110 0.07232 0.00217 -0.00501 95 9 H 1S -0.03206 -0.01668 -0.00582 0.00220 0.00458 96 2S -0.04475 -0.04620 0.00375 0.01692 0.00610 97 10 H 1S 0.01101 0.00908 0.00455 0.00278 -0.00024 98 2S 0.01060 0.02205 0.00342 -0.00199 -0.00114 99 11 H 1S 0.00543 0.01174 0.00990 -0.00326 -0.00021 100 2S 0.01443 0.02815 0.00401 -0.00904 -0.00090 101 12 H 1S 0.04153 -0.02563 -0.00659 -0.01358 0.00034 102 2S 0.04889 -0.04372 -0.01573 -0.01523 0.00109 103 13 C 1S 0.00479 0.00167 0.00191 0.00396 -0.00149 104 2S 0.00189 -0.00231 -0.00686 -0.00722 0.00264 105 2PX -0.00880 -0.06592 0.01521 0.05403 -0.00496 106 2PY 0.00295 0.01541 -0.00271 -0.01962 0.00346 107 2PZ 0.03434 0.06242 -0.01960 -0.05024 0.00291 108 3S 0.00633 0.00809 -0.01663 -0.00659 0.00472 109 3PX -0.01131 -0.04890 0.01405 0.04815 -0.00307 110 3PY 0.00142 0.01363 -0.00005 -0.01788 0.00193 111 3PZ 0.01276 0.04702 -0.01041 -0.03220 0.00247 112 4XX 0.00712 0.00462 -0.00312 -0.00457 -0.00044 113 4YY -0.00221 -0.00123 0.00109 0.00142 0.00004 114 4ZZ -0.00431 -0.00194 0.00251 0.00257 0.00018 115 4XY 0.00026 -0.00166 -0.00187 0.00108 0.00038 116 4XZ -0.00174 -0.00304 0.00075 0.00144 0.00023 117 4YZ -0.00001 0.00253 0.00115 0.00021 -0.00043 118 14 O 1S -0.00072 -0.00230 0.00275 -0.00410 0.00035 119 2S 0.00713 0.00370 -0.00818 0.00912 -0.00046 120 2PX 0.06015 0.03304 -0.03526 -0.03603 -0.00294 121 2PY -0.03805 0.01208 0.00552 0.01763 0.00032 122 2PZ -0.09379 -0.02382 0.05511 0.04421 0.00201 123 3S 0.00111 0.00863 -0.00729 0.00833 -0.00246 124 3PX 0.04693 0.02864 -0.02790 -0.02875 -0.00148 125 3PY -0.02465 0.00709 0.00345 0.01326 0.00033 126 3PZ -0.06965 -0.02554 0.04139 0.04032 0.00128 127 4XX -0.00102 0.00166 0.00027 -0.00089 0.00033 128 4YY 0.00234 -0.00115 -0.00011 -0.00071 -0.00001 129 4ZZ 0.00016 -0.00189 -0.00023 0.00145 -0.00001 130 4XY -0.00189 -0.00172 0.00110 0.00119 0.00010 131 4XZ 0.00061 -0.00060 -0.00050 0.00008 -0.00002 132 4YZ 0.00343 0.00027 -0.00176 -0.00116 -0.00021 133 15 C 1S -0.00427 -0.00077 0.00191 0.00078 0.00004 134 2S 0.00569 0.00091 -0.00097 -0.00391 0.00020 135 2PX -0.01577 -0.00103 0.00453 0.00865 0.00021 136 2PY 0.00790 -0.00267 0.00141 -0.00228 -0.00035 137 2PZ 0.01037 -0.00060 -0.00641 0.00421 -0.00101 138 3S 0.00771 0.00509 -0.00322 -0.00671 0.00069 139 3PX -0.00049 0.00104 -0.00155 0.00251 -0.00030 140 3PY -0.00407 -0.00170 0.00207 0.00056 0.00023 141 3PZ -0.00685 -0.00525 0.00533 0.00993 -0.00113 142 4XX -0.00398 -0.00129 0.00246 0.00156 0.00006 143 4YY -0.00117 0.00005 0.00051 0.00071 -0.00003 144 4ZZ 0.00503 0.00109 -0.00301 -0.00210 -0.00004 145 4XY 0.00072 0.00172 -0.00061 -0.00133 -0.00015 146 4XZ 0.00050 -0.00014 0.00009 -0.00040 -0.00006 147 4YZ -0.00383 -0.00104 0.00135 0.00158 0.00024 148 16 C 1S -0.00040 0.00317 0.00096 -0.00133 -0.00050 149 2S -0.00631 -0.00581 0.00158 0.00434 0.00121 150 2PX -0.01557 0.01646 0.02125 -0.00020 -0.00642 151 2PY -0.00887 -0.01834 0.00077 0.01981 -0.00219 152 2PZ 0.00404 -0.02242 -0.01484 -0.00081 0.00551 153 3S -0.00131 -0.00672 0.00009 -0.00727 0.00314 154 3PX -0.00105 0.01960 0.01035 -0.00998 -0.00457 155 3PY -0.00791 0.00146 0.00611 0.00096 -0.00247 156 3PZ 0.00824 -0.02260 -0.01130 -0.00260 0.00448 157 4XX 0.00048 -0.00095 -0.00073 0.00042 0.00002 158 4YY 0.00091 0.00000 -0.00033 -0.00013 0.00001 159 4ZZ -0.00076 0.00059 0.00107 -0.00013 -0.00011 160 4XY -0.00075 -0.00377 0.00101 0.00331 -0.00023 161 4XZ -0.00094 0.00169 0.00101 -0.00148 -0.00002 162 4YZ 0.00172 0.00388 -0.00112 -0.00305 0.00021 163 17 H 1S -0.01834 -0.00436 0.01006 0.00827 0.00012 164 2S -0.02970 -0.00958 0.01785 0.01473 -0.00027 165 18 H 1S 0.02159 0.00372 -0.01273 -0.00671 -0.00017 166 2S 0.03437 0.00893 -0.02261 -0.01664 0.00052 167 19 O 1S 0.00478 0.00034 -0.00292 -0.00037 0.00005 168 2S -0.01174 0.00062 0.00710 -0.00261 0.00009 169 2PX 0.01340 -0.00598 -0.01719 0.00465 0.00284 170 2PY -0.01504 0.01029 0.00351 -0.00627 0.00057 171 2PZ -0.00940 -0.00676 0.01291 0.01134 -0.00300 172 3S -0.02205 -0.00577 0.01075 0.01418 -0.00127 173 3PX 0.00990 -0.00764 -0.01269 0.00164 0.00285 174 3PY -0.01203 0.00555 0.00296 -0.00118 0.00037 175 3PZ -0.00810 -0.00205 0.01200 0.00637 -0.00270 176 4XX -0.00027 -0.00061 -0.00014 -0.00022 0.00027 177 4YY -0.00009 0.00059 0.00005 -0.00109 0.00006 178 4ZZ 0.00112 0.00155 -0.00034 -0.00116 -0.00011 179 4XY 0.00078 0.00003 -0.00066 -0.00012 0.00012 180 4XZ -0.00042 0.00039 0.00024 -0.00009 -0.00002 181 4YZ 0.00012 0.00021 0.00012 -0.00030 0.00002 182 20 H 1S -0.00359 -0.00075 0.00943 0.02498 0.00137 183 2S 0.00100 -0.00617 0.00177 0.02867 0.00250 184 21 H 1S -0.01620 0.00408 -0.00731 -0.02954 -0.00244 185 2S -0.01438 0.01446 -0.00676 -0.04306 -0.00103 186 22 H 1S -0.01940 -0.02450 0.00643 0.01187 0.00237 187 2S -0.02511 -0.02492 0.01126 0.01827 0.00128 188 23 H 1S 0.00326 0.01990 0.00386 -0.01165 -0.00039 189 2S 0.00516 0.02251 0.00369 -0.01651 -0.00119 26 27 28 29 30 26 4YY 0.00186 27 4ZZ -0.00073 0.00145 28 4XY 0.00013 -0.00035 0.00042 29 4XZ -0.00039 0.00006 0.00009 0.00069 30 4YZ -0.00011 -0.00004 0.00027 0.00008 0.00065 31 3 C 1S 0.00168 -0.00512 0.00133 -0.00200 0.00340 32 2S -0.00345 0.00885 -0.00249 0.00367 -0.00664 33 2PX 0.00095 -0.00570 -0.00081 0.00911 0.00319 34 2PY -0.00950 0.00773 0.00065 0.00272 0.00438 35 2PZ 0.00364 0.00068 0.00406 -0.00358 0.00854 36 3S -0.00684 0.01172 -0.00382 0.00373 -0.00655 37 3PX 0.00064 -0.00266 -0.00044 0.00421 0.00139 38 3PY -0.00362 0.00391 -0.00012 0.00107 0.00182 39 3PZ 0.00256 -0.00033 0.00239 -0.00117 0.00426 40 4XX -0.00029 0.00004 0.00017 0.00026 0.00039 41 4YY 0.00085 -0.00055 -0.00004 -0.00019 -0.00020 42 4ZZ -0.00039 0.00029 0.00001 -0.00011 0.00009 43 4XY -0.00005 -0.00009 -0.00006 0.00038 0.00013 44 4XZ -0.00016 -0.00052 0.00012 0.00062 -0.00011 45 4YZ -0.00031 0.00033 0.00008 -0.00002 0.00031 46 4 C 1S -0.00148 0.00048 0.00034 0.00008 0.00110 47 2S 0.00319 -0.00116 -0.00074 -0.00025 -0.00198 48 2PX -0.00054 0.00019 -0.00001 -0.00082 0.00032 49 2PY 0.00818 -0.00393 -0.00173 -0.00099 -0.00724 50 2PZ -0.00101 0.00006 0.00056 -0.00056 0.00107 51 3S 0.00541 -0.00338 -0.00077 -0.00033 -0.00250 52 3PX -0.00059 0.00022 -0.00018 -0.00058 0.00018 53 3PY 0.00566 -0.00313 -0.00045 -0.00110 -0.00317 54 3PZ 0.00002 -0.00023 0.00014 -0.00060 0.00055 55 4XX -0.00023 0.00006 0.00006 -0.00005 0.00021 56 4YY 0.00009 0.00022 -0.00008 0.00008 -0.00034 57 4ZZ -0.00009 -0.00005 0.00001 0.00003 0.00021 58 4XY 0.00003 -0.00017 -0.00002 0.00028 0.00007 59 4XZ -0.00003 0.00008 0.00002 0.00001 -0.00004 60 4YZ 0.00020 -0.00002 0.00012 -0.00009 0.00018 61 5 C 1S -0.00084 -0.00046 0.00044 0.00005 -0.00001 62 2S 0.00068 0.00014 -0.00070 0.00038 0.00004 63 2PX 0.00196 -0.00232 0.00076 0.00001 0.00161 64 2PY 0.00122 -0.00074 -0.00097 0.00024 0.00042 65 2PZ -0.00053 0.00066 0.00146 0.00002 0.00128 66 3S 0.00050 0.00054 -0.00203 -0.00018 -0.00050 67 3PX 0.00168 -0.00204 0.00098 -0.00004 0.00116 68 3PY -0.00039 0.00018 -0.00099 -0.00026 0.00007 69 3PZ -0.00021 0.00145 0.00105 -0.00009 0.00136 70 4XX -0.00016 -0.00017 -0.00001 -0.00019 -0.00007 71 4YY 0.00037 -0.00008 0.00015 -0.00005 -0.00004 72 4ZZ -0.00008 0.00018 -0.00005 0.00012 0.00014 73 4XY -0.00015 0.00005 -0.00013 0.00004 -0.00005 74 4XZ -0.00005 0.00012 -0.00004 0.00005 0.00000 75 4YZ 0.00004 -0.00014 -0.00005 0.00000 -0.00025 76 6 C 1S -0.00184 0.00071 -0.00099 0.00063 -0.00075 77 2S 0.00439 -0.00116 0.00185 -0.00122 0.00145 78 2PX 0.00164 0.00388 -0.00106 0.00247 0.00231 79 2PY 0.00978 -0.00241 0.00569 -0.00138 0.00452 80 2PZ 0.00043 -0.00350 0.00147 -0.00179 -0.00111 81 3S 0.00672 -0.00419 0.00341 -0.00159 0.00237 82 3PX 0.00057 0.00209 0.00024 0.00231 0.00190 83 3PY 0.00498 -0.00247 0.00201 -0.00038 0.00139 84 3PZ -0.00061 -0.00267 0.00151 -0.00107 -0.00022 85 4XX -0.00015 0.00001 -0.00021 0.00001 -0.00008 86 4YY -0.00003 -0.00001 0.00031 0.00021 0.00023 87 4ZZ -0.00027 0.00015 -0.00018 0.00003 -0.00018 88 4XY -0.00013 0.00015 0.00009 0.00008 0.00029 89 4XZ -0.00009 -0.00001 -0.00005 0.00004 -0.00004 90 4YZ -0.00012 -0.00047 0.00023 0.00001 0.00003 91 7 H 1S -0.00534 0.00632 -0.00350 0.00387 -0.00211 92 2S -0.00515 0.00695 -0.00520 0.00176 -0.00393 93 8 H 1S 0.01671 -0.00993 0.00155 -0.00194 -0.00169 94 2S 0.01588 -0.00874 0.00135 -0.00309 -0.00104 95 9 H 1S -0.00287 0.00116 0.00001 0.00707 0.00220 96 2S -0.00199 -0.00220 0.00147 0.00575 0.00328 97 10 H 1S -0.00155 0.00123 0.00019 -0.00082 0.00098 98 2S -0.00210 0.00239 0.00041 -0.00093 0.00075 99 11 H 1S 0.00086 -0.00008 0.00059 -0.00022 -0.00041 100 2S 0.00150 -0.00030 0.00078 -0.00062 -0.00057 101 12 H 1S -0.00257 0.00002 -0.00085 0.00030 -0.00058 102 2S -0.00387 -0.00050 -0.00037 0.00117 -0.00017 103 13 C 1S 0.00012 -0.00031 0.00016 0.00082 -0.00007 104 2S -0.00134 -0.00051 -0.00064 -0.00233 0.00042 105 2PX 0.00229 0.00005 0.00256 0.00541 -0.00117 106 2PY -0.00230 0.00012 0.00041 -0.00262 -0.00042 107 2PZ -0.00079 -0.00138 -0.00185 -0.00200 0.00099 108 3S -0.00364 -0.00023 -0.00142 -0.00285 -0.00038 109 3PX 0.00184 -0.00015 0.00135 0.00369 -0.00132 110 3PY 0.00001 -0.00089 0.00003 -0.00203 0.00012 111 3PZ -0.00113 -0.00026 -0.00168 -0.00204 0.00000 112 4XX 0.00003 0.00011 0.00002 0.00022 0.00008 113 4YY 0.00015 -0.00007 -0.00001 -0.00004 -0.00001 114 4ZZ -0.00003 0.00003 0.00004 -0.00003 -0.00010 115 4XY -0.00013 -0.00018 -0.00002 -0.00006 -0.00001 116 4XZ -0.00003 -0.00010 0.00009 -0.00003 0.00000 117 4YZ 0.00015 0.00011 0.00003 0.00023 -0.00001 118 14 O 1S 0.00017 0.00016 -0.00005 -0.00011 0.00000 119 2S -0.00051 -0.00055 0.00017 0.00025 -0.00013 120 2PX 0.00016 0.00088 -0.00094 0.00017 0.00009 121 2PY 0.00000 0.00000 -0.00031 -0.00046 -0.00005 122 2PZ 0.00057 0.00045 -0.00014 -0.00175 -0.00007 123 3S 0.00010 0.00027 0.00047 0.00071 0.00070 124 3PX -0.00019 0.00035 -0.00083 -0.00011 -0.00009 125 3PY -0.00005 -0.00008 -0.00030 -0.00019 -0.00017 126 3PZ 0.00055 0.00015 0.00014 -0.00076 -0.00036 127 4XX -0.00011 -0.00007 -0.00008 -0.00020 -0.00001 128 4YY 0.00002 -0.00005 0.00002 0.00001 -0.00004 129 4ZZ -0.00003 -0.00002 0.00004 0.00007 -0.00006 130 4XY 0.00001 -0.00005 0.00003 0.00002 0.00002 131 4XZ -0.00003 0.00000 0.00003 -0.00005 0.00000 132 4YZ 0.00004 0.00000 0.00003 0.00017 0.00002 133 15 C 1S 0.00013 0.00003 0.00003 0.00016 0.00007 134 2S -0.00018 0.00009 0.00003 -0.00059 -0.00011 135 2PX 0.00006 -0.00010 -0.00012 0.00040 0.00005 136 2PY 0.00002 0.00026 -0.00017 -0.00029 -0.00002 137 2PZ 0.00037 0.00014 0.00013 0.00018 -0.00016 138 3S -0.00020 -0.00002 -0.00016 -0.00113 -0.00013 139 3PX -0.00012 0.00010 -0.00009 0.00002 0.00009 140 3PY -0.00008 0.00009 -0.00006 -0.00014 0.00004 141 3PZ 0.00041 0.00050 0.00026 0.00024 -0.00028 142 4XX 0.00002 0.00004 0.00004 0.00007 -0.00002 143 4YY 0.00002 0.00002 -0.00003 -0.00003 0.00000 144 4ZZ -0.00004 -0.00008 -0.00001 0.00000 0.00001 145 4XY 0.00002 0.00010 0.00001 0.00004 -0.00001 146 4XZ 0.00002 0.00001 0.00002 0.00002 0.00000 147 4YZ -0.00002 -0.00009 0.00000 -0.00009 0.00001 148 16 C 1S -0.00011 0.00057 0.00027 0.00026 -0.00015 149 2S 0.00040 -0.00090 -0.00041 -0.00034 0.00011 150 2PX 0.00097 0.00319 0.00142 0.00302 -0.00055 151 2PY 0.00126 0.00002 -0.00056 0.00109 0.00046 152 2PZ -0.00060 -0.00255 -0.00099 -0.00228 0.00052 153 3S 0.00159 -0.00306 -0.00029 -0.00172 0.00055 154 3PX 0.00070 0.00203 0.00087 0.00155 -0.00013 155 3PY 0.00134 0.00063 0.00000 0.00055 0.00041 156 3PZ -0.00045 -0.00256 -0.00032 -0.00176 0.00045 157 4XX -0.00003 -0.00003 0.00001 -0.00002 0.00004 158 4YY 0.00000 -0.00004 -0.00001 -0.00003 0.00001 159 4ZZ 0.00000 0.00012 0.00007 0.00008 -0.00007 160 4XY 0.00013 -0.00002 0.00010 0.00023 -0.00004 161 4XZ -0.00001 0.00009 0.00005 -0.00002 0.00000 162 4YZ -0.00009 -0.00009 -0.00009 -0.00015 0.00003 163 17 H 1S 0.00009 0.00020 0.00012 0.00031 -0.00004 164 2S 0.00042 0.00041 0.00035 0.00087 -0.00012 165 18 H 1S -0.00012 -0.00023 0.00000 -0.00017 0.00002 166 2S -0.00042 -0.00084 -0.00028 -0.00005 0.00029 167 19 O 1S -0.00013 -0.00024 -0.00001 -0.00001 0.00001 168 2S 0.00025 0.00047 0.00007 -0.00013 0.00003 169 2PX -0.00074 -0.00252 -0.00087 -0.00149 0.00036 170 2PY -0.00051 0.00016 0.00024 -0.00050 0.00001 171 2PZ 0.00126 0.00186 0.00054 0.00179 -0.00037 172 3S 0.00029 0.00151 -0.00019 0.00050 -0.00001 173 3PX -0.00057 -0.00228 -0.00059 -0.00134 0.00031 174 3PY -0.00046 0.00020 0.00018 -0.00030 -0.00001 175 3PZ 0.00102 0.00155 0.00056 0.00155 -0.00033 176 4XX -0.00002 -0.00012 -0.00002 -0.00009 0.00000 177 4YY -0.00002 -0.00004 0.00003 -0.00004 0.00001 178 4ZZ -0.00001 0.00003 0.00002 0.00003 -0.00001 179 4XY -0.00005 -0.00008 -0.00001 -0.00007 0.00001 180 4XZ 0.00001 0.00002 0.00000 0.00001 0.00000 181 4YZ 0.00000 0.00004 0.00001 -0.00002 -0.00002 182 20 H 1S -0.00100 -0.00013 0.00010 0.00069 0.00105 183 2S -0.00204 -0.00038 -0.00006 0.00099 0.00117 184 21 H 1S -0.00242 0.00811 0.00106 -0.00401 0.00144 185 2S -0.00166 0.00535 0.00102 -0.00503 0.00280 186 22 H 1S -0.00130 0.00016 0.00041 -0.00177 -0.00041 187 2S -0.00061 0.00053 0.00025 -0.00071 -0.00067 188 23 H 1S -0.00023 0.00048 0.00024 0.00001 -0.00028 189 2S -0.00023 0.00102 0.00025 0.00013 -0.00010 31 32 33 34 35 31 3 C 1S 2.05092 32 2S -0.05341 0.30682 33 2PX -0.00089 0.00094 0.41187 34 2PY -0.00199 0.00122 0.00499 0.38124 35 2PZ -0.00339 0.00249 -0.00313 0.00574 0.38896 36 3S -0.18586 0.27976 -0.00647 -0.00793 -0.02478 37 3PX -0.00226 0.00385 0.18595 0.00355 0.00070 38 3PY 0.00044 0.00253 -0.00076 0.17352 0.00966 39 3PZ -0.00163 0.00937 0.00744 0.00608 0.17988 40 4XX -0.01787 0.00019 0.01072 0.01029 0.01116 41 4YY -0.01551 -0.00514 0.00056 -0.01508 -0.00103 42 4ZZ -0.01630 -0.00351 -0.01052 0.00819 -0.00580 43 4XY -0.00055 0.00106 0.01581 0.00030 -0.00039 44 4XZ 0.00050 -0.00110 0.01495 0.00054 -0.01186 45 4YZ -0.00140 0.00268 0.00004 0.00068 0.01284 46 4 C 1S 0.01015 -0.01941 0.00026 0.06234 0.00369 47 2S -0.01941 0.03034 -0.00112 -0.12841 -0.00769 48 2PX 0.00027 -0.00113 -0.00074 -0.00196 0.00493 49 2PY -0.06234 0.12842 0.00198 -0.31488 -0.00216 50 2PZ 0.00367 -0.00766 0.00493 0.00207 0.00695 51 3S 0.00627 0.00956 0.00446 -0.12580 -0.00426 52 3PX 0.00051 -0.00149 -0.00514 -0.00284 -0.00110 53 3PY -0.01397 0.04158 0.00014 -0.14639 0.01477 54 3PZ 0.00321 -0.00962 -0.00073 -0.00210 -0.00676 55 4XX 0.00206 -0.00506 -0.00024 0.00708 0.00044 56 4YY -0.00682 0.01180 -0.00037 -0.00827 0.00046 57 4ZZ 0.00208 -0.00477 0.00063 0.00813 0.00082 58 4XY 0.00001 -0.00002 0.01155 0.00033 -0.00029 59 4XZ -0.00011 0.00018 -0.00063 0.00060 0.00059 60 4YZ -0.00032 0.00030 -0.00043 0.00007 0.01048 61 5 C 1S -0.00202 0.00459 -0.00180 -0.01024 -0.00337 62 2S 0.00420 -0.00918 0.00337 0.02611 0.01375 63 2PX 0.00310 -0.00431 0.00565 0.00236 0.00369 64 2PY 0.00914 -0.01813 0.00361 0.03528 0.00755 65 2PZ 0.00490 -0.01663 0.00160 0.03068 0.02388 66 3S 0.00385 -0.00945 0.01294 0.02809 -0.00622 67 3PX 0.00368 -0.00480 -0.00201 0.00941 0.01452 68 3PY 0.00396 -0.00899 0.00016 0.01240 -0.02514 69 3PZ 0.00182 -0.00699 -0.00415 0.02231 0.02493 70 4XX 0.00030 -0.00104 0.00016 0.00101 0.00235 71 4YY -0.00148 0.00319 -0.00054 -0.00818 -0.00101 72 4ZZ 0.00048 -0.00116 0.00018 0.00392 0.00006 73 4XY -0.00034 0.00074 0.00001 -0.00174 -0.00056 74 4XZ 0.00008 -0.00026 -0.00082 0.00099 -0.00056 75 4YZ -0.00110 0.00199 -0.00032 -0.00724 -0.00107 76 6 C 1S -0.00267 0.00479 -0.00207 -0.00390 -0.00787 77 2S 0.00503 -0.00883 0.00444 0.00856 0.01255 78 2PX 0.00128 0.00214 -0.00674 0.02848 -0.01132 79 2PY 0.00375 -0.00681 0.00763 -0.01162 0.02367 80 2PZ 0.00577 -0.01509 0.00881 0.00381 0.02037 81 3S 0.01091 -0.02105 0.01311 0.01905 0.07872 82 3PX 0.00010 0.00217 -0.00580 0.01993 0.00222 83 3PY 0.00349 -0.00597 0.01726 -0.00709 0.02448 84 3PZ 0.00343 -0.00990 0.00098 -0.00331 0.03398 85 4XX 0.00000 0.00002 0.00032 0.00082 -0.00066 86 4YY -0.00020 0.00036 0.00065 -0.00190 0.00059 87 4ZZ -0.00037 0.00057 -0.00085 0.00047 -0.00074 88 4XY 0.00004 -0.00040 -0.00037 0.00034 0.00159 89 4XZ 0.00009 -0.00017 -0.00006 0.00073 0.00000 90 4YZ 0.00021 -0.00066 0.00122 -0.00083 0.00019 91 7 H 1S -0.00710 0.01561 -0.01137 0.01107 -0.03375 92 2S -0.00909 0.02150 -0.02681 0.01594 -0.06649 93 8 H 1S 0.01166 -0.02374 0.00668 -0.03133 0.03239 94 2S 0.01409 -0.02635 0.01507 -0.05917 0.06668 95 9 H 1S -0.05307 0.10305 0.24406 0.09284 0.06751 96 2S -0.00470 0.02007 0.21324 0.07584 0.05576 97 10 H 1S 0.00761 -0.01999 -0.02272 0.02939 -0.00277 98 2S 0.00792 -0.01755 -0.04408 0.05181 -0.00221 99 11 H 1S -0.00717 0.01458 -0.00151 -0.03618 -0.00435 100 2S -0.00907 0.01876 -0.00485 -0.06045 -0.01995 101 12 H 1S -0.00090 0.00147 0.00009 -0.00103 -0.00298 102 2S -0.00047 -0.00004 0.00382 -0.00098 0.00410 103 13 C 1S -0.00160 0.00237 0.00275 -0.00037 -0.00219 104 2S 0.00232 -0.00724 -0.00838 -0.00112 0.01167 105 2PX -0.00601 0.01600 0.01449 -0.00147 -0.01969 106 2PY 0.00138 -0.00410 -0.00285 0.00184 0.00129 107 2PZ 0.00522 -0.01807 -0.01389 -0.00170 0.01865 108 3S 0.00606 -0.00124 -0.00167 0.00814 -0.01872 109 3PX -0.00470 0.01725 0.02393 -0.00042 -0.03174 110 3PY 0.00098 -0.01047 -0.00749 -0.00132 0.02065 111 3PZ 0.00664 -0.00698 -0.00779 0.00014 0.00120 112 4XX -0.00063 0.00056 0.00092 -0.00003 -0.00036 113 4YY 0.00003 -0.00028 -0.00017 -0.00039 0.00086 114 4ZZ -0.00062 0.00051 0.00050 -0.00048 -0.00154 115 4XY 0.00037 -0.00055 0.00007 0.00037 0.00068 116 4XZ 0.00066 -0.00101 -0.00114 -0.00007 0.00209 117 4YZ -0.00023 0.00046 -0.00049 -0.00025 -0.00104 118 14 O 1S -0.00055 0.00098 0.00448 0.00124 -0.00164 119 2S 0.00228 -0.00251 -0.00961 -0.00340 0.00099 120 2PX -0.00379 0.01216 0.01821 0.00614 -0.00593 121 2PY 0.00114 0.00118 -0.00505 -0.00451 -0.00074 122 2PZ 0.00311 -0.00876 -0.02211 -0.00844 -0.00282 123 3S -0.00116 -0.00487 -0.02701 -0.00435 0.01800 124 3PX -0.00096 0.00699 0.01208 0.00447 -0.00653 125 3PY 0.00086 0.00248 0.00199 -0.00334 -0.00534 126 3PZ 0.00116 -0.00346 -0.01266 -0.00584 -0.00685 127 4XX 0.00046 -0.00072 -0.00018 -0.00039 0.00000 128 4YY 0.00040 -0.00042 -0.00023 0.00003 -0.00064 129 4ZZ 0.00021 0.00056 0.00142 0.00010 -0.00159 130 4XY 0.00008 -0.00060 -0.00078 -0.00045 0.00066 131 4XZ 0.00030 -0.00048 -0.00179 -0.00033 0.00045 132 4YZ -0.00031 0.00067 0.00146 0.00046 0.00005 133 15 C 1S -0.00065 0.00137 0.00329 0.00005 0.00042 134 2S 0.00156 -0.00373 -0.00907 0.00032 -0.00083 135 2PX -0.00190 0.00417 0.00787 -0.00096 0.00238 136 2PY -0.00001 -0.00041 -0.00185 0.00005 -0.00246 137 2PZ 0.00281 -0.00423 -0.01835 -0.00433 -0.00496 138 3S 0.00356 -0.00478 -0.01119 -0.00019 -0.00241 139 3PX 0.00052 -0.00167 -0.00734 0.00476 0.00093 140 3PY -0.00086 0.00110 0.00496 0.00071 -0.00067 141 3PZ 0.00189 -0.00207 -0.01920 -0.00415 -0.00710 142 4XX -0.00032 0.00025 0.00064 -0.00036 0.00001 143 4YY -0.00006 0.00027 0.00022 -0.00026 -0.00012 144 4ZZ 0.00026 -0.00041 -0.00038 0.00035 -0.00005 145 4XY -0.00015 0.00060 0.00009 0.00014 -0.00029 146 4XZ 0.00001 -0.00004 -0.00050 -0.00006 0.00002 147 4YZ 0.00031 -0.00062 -0.00027 -0.00019 0.00046 148 16 C 1S -0.00135 0.00331 0.00010 -0.00131 -0.00447 149 2S 0.00251 -0.00446 -0.00034 0.00181 0.00621 150 2PX -0.00749 0.01643 -0.00554 -0.00835 -0.02317 151 2PY -0.00026 0.00226 -0.00294 -0.00295 0.00041 152 2PZ 0.00676 -0.01383 0.00340 0.00670 0.01780 153 3S 0.00525 -0.02179 -0.00053 0.00379 0.04389 154 3PX -0.00501 0.00780 -0.01195 -0.01242 -0.01016 155 3PY -0.00098 -0.00160 -0.00919 -0.00419 0.00923 156 3PZ 0.00473 -0.01516 0.00205 0.00047 0.02307 157 4XX 0.00003 0.00002 -0.00010 0.00020 -0.00037 158 4YY -0.00008 0.00002 -0.00039 -0.00053 0.00052 159 4ZZ -0.00049 0.00104 0.00049 -0.00051 -0.00123 160 4XY -0.00020 0.00069 0.00069 0.00008 -0.00080 161 4XZ 0.00000 -0.00019 -0.00064 -0.00001 0.00047 162 4YZ 0.00011 -0.00086 -0.00045 -0.00028 0.00108 163 17 H 1S -0.00148 0.00243 0.00374 -0.00104 0.00045 164 2S -0.00291 0.00564 0.00935 -0.00523 -0.00186 165 18 H 1S 0.00270 -0.00473 -0.00805 0.00102 -0.00060 166 2S -0.00010 -0.00130 0.01067 0.00202 0.00672 167 19 O 1S 0.00035 -0.00090 -0.00001 0.00021 0.00074 168 2S -0.00036 0.00121 0.00059 -0.00149 -0.00001 169 2PX 0.00404 -0.00894 0.00208 -0.00085 0.00993 170 2PY 0.00108 -0.00204 -0.00350 0.00314 0.00004 171 2PZ -0.00486 0.01105 0.00420 -0.00132 -0.00777 172 3S -0.00302 0.00783 -0.00133 0.00365 -0.01229 173 3PX 0.00391 -0.00955 0.00211 -0.00074 0.01197 174 3PY 0.00036 -0.00119 -0.00402 0.00360 -0.00175 175 3PZ -0.00479 0.00936 0.00351 -0.00254 -0.00680 176 4XX 0.00039 -0.00038 0.00086 -0.00007 0.00102 177 4YY 0.00020 -0.00039 -0.00015 -0.00010 0.00069 178 4ZZ 0.00013 0.00006 -0.00014 -0.00042 -0.00005 179 4XY 0.00012 -0.00032 0.00017 0.00007 0.00049 180 4XZ -0.00004 0.00003 -0.00017 -0.00007 -0.00004 181 4YZ -0.00012 0.00006 -0.00007 -0.00019 0.00002 182 20 H 1S 0.00840 -0.02009 0.01884 0.02735 -0.01614 183 2S 0.01010 -0.02085 0.03500 0.05263 -0.02229 184 21 H 1S -0.05287 0.10195 -0.18024 0.08043 0.17920 185 2S -0.00700 0.02105 -0.16493 0.06619 0.15935 186 22 H 1S 0.00045 0.00109 0.00161 0.00109 -0.00103 187 2S 0.00048 0.00573 0.00505 -0.00098 -0.00802 188 23 H 1S -0.00132 0.00099 -0.00111 -0.00171 -0.00124 189 2S -0.00232 0.00125 -0.00626 -0.00757 -0.00091 36 37 38 39 40 36 3S 0.30210 37 3PX -0.00137 0.08585 38 3PY -0.00729 0.00186 0.08588 39 3PZ -0.00700 0.00654 0.00766 0.09074 40 4XX -0.00035 0.00492 0.00456 0.00529 0.00113 41 4YY -0.00513 0.00020 -0.00601 -0.00086 -0.00033 42 4ZZ -0.00015 -0.00477 0.00318 -0.00238 -0.00017 43 4XY 0.00117 0.00724 -0.00004 0.00023 0.00040 44 4XZ -0.00235 0.00665 -0.00025 -0.00508 0.00023 45 4YZ 0.00250 0.00017 0.00091 0.00612 0.00042 46 4 C 1S 0.00627 0.00051 0.01397 0.00321 0.00206 47 2S 0.00956 -0.00149 -0.04158 -0.00963 -0.00506 48 2PX 0.00446 -0.00514 -0.00013 -0.00074 -0.00023 49 2PY 0.12580 0.00286 -0.14639 0.00206 -0.00708 50 2PZ -0.00423 -0.00109 -0.01481 -0.00677 0.00043 51 3S -0.03255 0.00253 -0.03364 -0.00816 -0.00421 52 3PX 0.00252 -0.00533 -0.00180 -0.00276 -0.00048 53 3PY 0.03364 0.00181 -0.06475 0.00905 -0.00296 54 3PZ -0.00815 -0.00275 -0.00907 -0.00863 -0.00045 55 4XX -0.00420 -0.00048 0.00296 -0.00045 0.00013 56 4YY 0.01297 -0.00018 -0.00461 0.00072 -0.00014 57 4ZZ -0.00656 0.00073 0.00444 0.00072 0.00028 58 4XY 0.00016 0.00535 -0.00021 0.00024 0.00031 59 4XZ 0.00163 -0.00063 0.00052 0.00015 -0.00004 60 4YZ 0.00039 -0.00012 0.00009 0.00526 0.00030 61 5 C 1S -0.00082 0.00044 -0.00685 0.00016 -0.00043 62 2S -0.01381 0.00408 0.01928 0.00716 0.00105 63 2PX -0.04770 0.00897 0.00923 0.01327 0.00160 64 2PY -0.07649 0.00859 0.05187 0.00333 0.00085 65 2PZ 0.00218 -0.00185 0.01857 0.01589 -0.00003 66 3S -0.01020 0.00772 0.01837 -0.00339 0.00059 67 3PX -0.04237 0.00407 0.01155 0.01372 0.00185 68 3PY -0.02365 0.00201 0.01565 -0.01143 -0.00079 69 3PZ 0.01384 -0.00494 0.00894 0.01345 -0.00002 70 4XX -0.00084 0.00010 0.00038 0.00078 0.00012 71 4YY 0.00541 -0.00059 -0.00566 0.00002 -0.00023 72 4ZZ -0.00338 0.00022 0.00313 -0.00023 0.00006 73 4XY 0.00077 0.00018 -0.00046 -0.00014 -0.00006 74 4XZ -0.00033 -0.00058 0.00110 -0.00060 -0.00005 75 4YZ 0.00250 -0.00018 -0.00318 -0.00055 -0.00021 76 6 C 1S 0.01324 -0.00105 -0.00348 -0.00485 -0.00029 77 2S -0.02297 0.00171 0.00737 0.00736 0.00034 78 2PX -0.02357 -0.00051 0.02761 -0.00613 -0.00037 79 2PY -0.03017 0.00183 -0.00892 0.02432 -0.00022 80 2PZ -0.00945 0.00166 -0.00192 0.00452 0.00077 81 3S -0.06109 0.00820 0.01690 0.04098 0.00343 82 3PX -0.01894 -0.00075 0.01748 0.00212 0.00067 83 3PY -0.02945 0.00912 -0.00055 0.01698 0.00109 84 3PZ -0.00435 -0.00002 -0.00540 0.01556 0.00115 85 4XX -0.00152 0.00052 0.00108 -0.00033 0.00006 86 4YY 0.00205 -0.00004 -0.00223 0.00057 0.00000 87 4ZZ 0.00193 -0.00043 0.00055 -0.00068 -0.00005 88 4XY 0.00050 -0.00021 0.00015 0.00145 -0.00006 89 4XZ -0.00079 0.00014 0.00102 -0.00003 0.00003 90 4YZ -0.00335 0.00073 -0.00066 0.00060 0.00020 91 7 H 1S 0.04176 -0.00462 0.01304 -0.02990 -0.00119 92 2S 0.05147 -0.01220 0.01571 -0.04621 -0.00276 93 8 H 1S -0.06426 0.00613 -0.00754 0.02545 -0.00156 94 2S -0.06879 0.00961 -0.01769 0.03802 -0.00043 95 9 H 1S 0.08095 0.11187 0.04140 0.03914 0.01149 96 2S -0.00680 0.09432 0.02999 0.02565 0.01043 97 10 H 1S -0.01940 -0.01473 0.01812 -0.00845 -0.00094 98 2S -0.00378 -0.02329 0.02464 -0.00581 -0.00070 99 11 H 1S 0.04598 -0.00396 -0.03698 -0.00020 -0.00081 100 2S 0.05206 -0.00610 -0.04915 -0.00659 -0.00228 101 12 H 1S 0.00354 0.00130 0.00023 -0.00070 0.00044 102 2S -0.00168 0.00383 0.00067 0.00421 0.00114 103 13 C 1S 0.00255 0.00447 -0.00152 -0.00310 -0.00041 104 2S -0.00749 -0.00430 -0.00069 0.00600 0.00046 105 2PX 0.01137 0.01166 0.00822 -0.00175 0.00106 106 2PY 0.00174 -0.00524 0.00237 -0.00097 0.00006 107 2PZ -0.00090 0.00415 -0.00976 0.00681 -0.00134 108 3S 0.00820 -0.00074 0.00022 -0.00599 0.00009 109 3PX 0.00615 0.01150 0.00630 -0.01038 0.00074 110 3PY -0.01295 -0.00524 -0.00020 0.00827 0.00012 111 3PZ 0.00618 -0.00038 -0.00481 -0.00124 -0.00114 112 4XX 0.00264 0.00163 0.00103 0.00221 -0.00015 113 4YY -0.00173 -0.00055 -0.00030 -0.00003 0.00004 114 4ZZ 0.00032 -0.00056 -0.00096 -0.00250 0.00005 115 4XY -0.00252 0.00074 0.00040 0.00078 0.00009 116 4XZ -0.00127 -0.00019 -0.00011 0.00054 0.00012 117 4YZ 0.00140 -0.00029 -0.00086 -0.00121 -0.00013 118 14 O 1S 0.00837 0.00231 0.00265 0.00095 0.00014 119 2S -0.01855 -0.00415 -0.00504 -0.00118 -0.00029 120 2PX 0.01248 0.01345 0.01906 0.02776 -0.00093 121 2PY -0.03111 -0.01809 -0.00894 -0.01363 -0.00024 122 2PZ -0.02061 -0.03042 -0.03007 -0.04821 0.00025 123 3S -0.02749 -0.01420 -0.00734 0.00314 -0.00059 124 3PX 0.00874 0.01045 0.01350 0.01961 -0.00078 125 3PY -0.01881 -0.00958 -0.00611 -0.01099 -0.00013 126 3PZ -0.01343 -0.01983 -0.02006 -0.03601 0.00032 127 4XX -0.00045 -0.00034 -0.00079 -0.00089 -0.00003 128 4YY 0.00149 0.00081 0.00051 0.00054 -0.00002 129 4ZZ -0.00030 0.00048 0.00047 -0.00017 0.00005 130 4XY -0.00034 -0.00029 -0.00084 -0.00070 0.00005 131 4XZ -0.00070 -0.00073 0.00010 0.00054 -0.00002 132 4YZ 0.00141 0.00148 0.00138 0.00194 0.00000 133 15 C 1S 0.00215 0.00092 0.00061 -0.00086 -0.00002 134 2S -0.00212 -0.00275 -0.00100 0.00004 -0.00013 135 2PX 0.00324 0.00254 0.00028 -0.00164 -0.00008 136 2PY 0.00569 -0.00021 -0.00102 -0.00025 -0.00010 137 2PZ -0.01753 -0.00968 -0.00548 0.00069 -0.00011 138 3S -0.00295 -0.00371 -0.00052 0.00040 -0.00031 139 3PX -0.00222 -0.00299 0.00296 0.00092 -0.00023 140 3PY 0.00041 -0.00015 -0.00061 -0.00171 0.00022 141 3PZ -0.00572 -0.01056 -0.00459 -0.00645 -0.00043 142 4XX 0.00118 -0.00002 -0.00041 -0.00132 0.00004 143 4YY -0.00037 -0.00006 -0.00036 -0.00059 -0.00002 144 4ZZ -0.00068 0.00030 0.00068 0.00184 -0.00001 145 4XY 0.00087 0.00002 0.00095 0.00079 -0.00006 146 4XZ 0.00079 -0.00006 0.00017 0.00014 -0.00002 147 4YZ -0.00189 -0.00109 -0.00100 -0.00153 0.00005 148 16 C 1S 0.00485 -0.00199 0.00085 -0.00127 -0.00017 149 2S -0.00904 0.00102 -0.00100 0.00195 0.00043 150 2PX 0.04193 -0.01623 -0.00750 -0.01814 -0.00142 151 2PY -0.00884 -0.00246 -0.00146 0.00012 0.00011 152 2PZ -0.03614 0.00601 0.01048 0.01476 0.00137 153 3S -0.04201 0.00318 0.00213 0.02033 0.00139 154 3PX 0.02840 -0.01262 -0.00969 -0.00942 -0.00147 155 3PY -0.00534 -0.00702 -0.00077 0.00151 -0.00037 156 3PZ -0.03139 0.00618 0.00395 0.01531 0.00129 157 4XX -0.00109 -0.00048 0.00025 -0.00021 0.00000 158 4YY 0.00032 0.00016 -0.00050 0.00046 0.00000 159 4ZZ 0.00204 0.00013 -0.00008 -0.00077 -0.00004 160 4XY 0.00000 0.00060 0.00040 -0.00015 0.00007 161 4XZ 0.00124 -0.00079 -0.00020 -0.00018 -0.00003 162 4YZ 0.00020 0.00027 -0.00075 0.00029 -0.00007 163 17 H 1S 0.00559 0.00051 -0.00113 -0.00515 0.00001 164 2S 0.00914 0.00123 -0.00426 -0.01008 0.00014 165 18 H 1S -0.01212 -0.00232 -0.00034 0.00659 0.00011 166 2S -0.00945 0.00804 0.00285 0.01557 0.00053 167 19 O 1S -0.00140 0.00066 0.00032 0.00120 0.00004 168 2S 0.00520 -0.00116 -0.00170 -0.00313 -0.00018 169 2PX -0.02580 0.00457 -0.00796 0.00206 0.00035 170 2PY -0.00375 -0.01138 0.00147 -0.00662 -0.00002 171 2PZ 0.01644 0.00984 0.00790 0.00189 -0.00015 172 3S 0.00764 -0.00274 0.00055 -0.01042 -0.00035 173 3PX -0.02368 0.00319 -0.00614 0.00362 0.00055 174 3PY -0.00329 -0.00886 0.00121 -0.00583 0.00000 175 3PZ 0.01703 0.00549 0.00421 -0.00022 -0.00026 176 4XX -0.00092 0.00070 0.00017 0.00061 0.00007 177 4YY -0.00005 -0.00042 -0.00011 0.00010 0.00001 178 4ZZ 0.00064 -0.00017 -0.00046 0.00006 -0.00005 179 4XY -0.00066 0.00030 -0.00028 0.00015 0.00001 180 4XZ 0.00026 -0.00021 -0.00025 -0.00019 -0.00001 181 4YZ 0.00011 0.00039 0.00016 0.00026 0.00000 182 20 H 1S -0.03336 0.00937 0.01272 -0.01224 0.00038 183 2S -0.03230 0.01823 0.02122 -0.01141 0.00188 184 21 H 1S 0.09108 -0.07907 0.04178 0.08296 0.00243 185 2S 0.01901 -0.07321 0.03399 0.07122 0.00131 186 22 H 1S -0.00628 -0.00653 0.00366 -0.00270 0.00098 187 2S -0.00089 -0.00371 0.00288 -0.00756 0.00068 188 23 H 1S 0.01425 0.00070 -0.00473 -0.00306 -0.00050 189 2S 0.01825 -0.00230 -0.00674 -0.00338 -0.00091 41 42 43 44 45 41 4YY 0.00121 42 4ZZ -0.00033 0.00105 43 4XY -0.00003 -0.00038 0.00096 44 4XZ 0.00007 -0.00033 0.00054 0.00130 45 4YZ -0.00025 -0.00018 0.00004 -0.00042 0.00091 46 4 C 1S -0.00682 0.00208 -0.00001 -0.00011 0.00032 47 2S 0.01180 -0.00477 0.00002 0.00018 -0.00030 48 2PX -0.00037 0.00063 -0.01155 -0.00064 0.00043 49 2PY 0.00827 -0.00813 0.00033 -0.00060 0.00008 50 2PZ 0.00046 0.00082 0.00029 0.00059 -0.01048 51 3S 0.01297 -0.00656 -0.00016 0.00163 -0.00038 52 3PX -0.00018 0.00073 -0.00535 -0.00063 0.00012 53 3PY 0.00461 -0.00444 -0.00021 -0.00052 0.00009 54 3PZ 0.00072 0.00072 -0.00024 0.00016 -0.00526 55 4XX -0.00014 0.00028 -0.00031 -0.00004 -0.00030 56 4YY -0.00006 -0.00018 0.00002 -0.00013 0.00010 57 4ZZ -0.00018 0.00010 0.00028 0.00008 0.00016 58 4XY -0.00002 -0.00028 0.00089 0.00042 -0.00003 59 4XZ -0.00013 0.00008 -0.00042 -0.00011 0.00036 60 4YZ -0.00010 -0.00016 -0.00003 -0.00036 0.00065 61 5 C 1S -0.00057 0.00018 -0.00034 -0.00007 -0.00151 62 2S 0.00088 -0.00091 0.00060 0.00013 0.00341 63 2PX 0.00257 -0.00295 -0.00054 0.00227 0.00257 64 2PY 0.00192 -0.00150 0.00070 0.00068 0.00453 65 2PZ 0.00052 0.00092 0.00295 -0.00231 0.00723 66 3S 0.00051 -0.00049 0.00114 -0.00027 0.00211 67 3PX 0.00138 -0.00226 -0.00075 0.00192 0.00124 68 3PY 0.00036 0.00067 0.00018 0.00021 0.00038 69 3PZ -0.00118 0.00161 0.00084 -0.00237 0.00342 70 4XX -0.00021 0.00010 -0.00020 -0.00014 -0.00004 71 4YY 0.00009 -0.00009 -0.00003 -0.00003 -0.00020 72 4ZZ 0.00022 -0.00005 0.00017 0.00008 0.00002 73 4XY 0.00008 -0.00001 -0.00002 -0.00002 0.00012 74 4XZ 0.00008 0.00003 -0.00028 0.00001 0.00009 75 4YZ 0.00034 -0.00021 0.00007 0.00004 0.00018 76 6 C 1S -0.00010 0.00024 0.00007 0.00019 0.00020 77 2S 0.00024 -0.00041 -0.00035 -0.00044 -0.00081 78 2PX 0.00061 0.00010 -0.00023 0.00102 -0.00128 79 2PY 0.00192 -0.00197 0.00100 -0.00088 0.00015 80 2PZ -0.00177 0.00059 -0.00059 -0.00064 -0.00008 81 3S 0.00111 -0.00283 -0.00078 -0.00001 0.00127 82 3PX 0.00062 -0.00075 -0.00013 0.00164 0.00001 83 3PY 0.00183 -0.00254 0.00123 0.00060 0.00086 84 3PZ -0.00139 0.00033 -0.00081 -0.00082 0.00131 85 4XX 0.00004 -0.00006 -0.00002 0.00009 0.00003 86 4YY -0.00008 0.00004 0.00002 0.00005 -0.00008 87 4ZZ 0.00000 0.00005 0.00008 -0.00005 0.00019 88 4XY -0.00012 0.00026 0.00008 -0.00014 0.00027 89 4XZ 0.00001 -0.00002 0.00002 0.00004 0.00018 90 4YZ 0.00000 -0.00013 0.00000 0.00038 0.00006 91 7 H 1S 0.00007 -0.00017 -0.00039 -0.00149 -0.00084 92 2S -0.00017 0.00099 -0.00092 -0.00196 -0.00199 93 8 H 1S 0.00650 -0.00183 -0.00121 -0.00093 -0.00478 94 2S 0.00718 -0.00457 -0.00058 -0.00158 -0.00206 95 9 H 1S -0.00486 -0.00663 0.01023 0.00742 0.00360 96 2S -0.00282 -0.00647 0.00917 0.00856 0.00244 97 10 H 1S 0.00174 0.00161 -0.00762 -0.00092 -0.00178 98 2S -0.00149 0.00325 -0.00741 -0.00198 -0.00143 99 11 H 1S -0.00011 -0.00001 -0.00030 -0.00020 -0.00198 100 2S 0.00023 0.00044 -0.00036 -0.00044 -0.00306 101 12 H 1S -0.00008 0.00018 0.00020 0.00062 0.00110 102 2S -0.00033 -0.00007 0.00069 0.00148 0.00253 103 13 C 1S 0.00002 -0.00071 0.00011 0.00080 -0.00005 104 2S -0.00044 0.00039 -0.00043 -0.00161 0.00026 105 2PX 0.00241 -0.00460 0.00026 0.00571 -0.00064 106 2PY -0.00090 0.00118 0.00006 -0.00109 0.00024 107 2PZ -0.00246 0.00367 -0.00017 -0.00603 0.00063 108 3S -0.00193 0.00176 -0.00003 -0.00100 -0.00124 109 3PX 0.00187 -0.00343 0.00086 0.00534 -0.00131 110 3PY -0.00015 0.00076 -0.00052 -0.00189 0.00081 111 3PZ -0.00175 0.00268 -0.00002 -0.00366 -0.00021 112 4XX -0.00006 0.00024 0.00009 -0.00014 0.00006 113 4YY 0.00009 -0.00008 -0.00002 0.00004 -0.00002 114 4ZZ 0.00005 -0.00017 0.00000 0.00017 -0.00005 115 4XY -0.00006 -0.00003 0.00001 -0.00001 0.00004 116 4XZ 0.00001 -0.00016 -0.00005 -0.00002 0.00003 117 4YZ 0.00004 0.00000 0.00000 -0.00001 -0.00004 118 14 O 1S -0.00007 0.00013 0.00014 0.00013 -0.00001 119 2S 0.00012 -0.00040 -0.00034 -0.00031 -0.00010 120 2PX -0.00022 0.00224 0.00076 0.00009 0.00011 121 2PY 0.00054 0.00010 -0.00014 0.00041 -0.00023 122 2PZ 0.00078 -0.00182 -0.00109 0.00039 -0.00069 123 3S 0.00044 -0.00016 -0.00080 -0.00116 0.00073 124 3PX -0.00045 0.00192 0.00051 -0.00035 -0.00011 125 3PY 0.00037 -0.00007 0.00004 0.00063 -0.00034 126 3PZ 0.00083 -0.00189 -0.00072 0.00109 -0.00072 127 4XX -0.00008 0.00010 -0.00001 -0.00016 -0.00002 128 4YY -0.00001 0.00000 -0.00003 0.00000 -0.00004 129 4ZZ 0.00006 -0.00010 0.00003 0.00024 -0.00005 130 4XY 0.00001 -0.00010 -0.00004 -0.00003 0.00002 131 4XZ 0.00002 0.00001 -0.00007 -0.00005 0.00001 132 4YZ 0.00001 0.00001 0.00006 0.00007 0.00002 133 15 C 1S 0.00007 -0.00007 0.00013 0.00031 -0.00004 134 2S -0.00026 0.00031 -0.00022 -0.00060 0.00002 135 2PX 0.00029 -0.00045 0.00040 0.00058 -0.00003 136 2PY 0.00006 0.00004 -0.00023 -0.00013 -0.00015 137 2PZ 0.00016 0.00025 -0.00062 -0.00055 -0.00015 138 3S -0.00036 0.00070 -0.00022 -0.00098 0.00006 139 3PX -0.00004 0.00033 0.00002 -0.00021 0.00001 140 3PY 0.00001 -0.00011 0.00030 0.00028 -0.00003 141 3PZ 0.00024 -0.00014 -0.00032 -0.00007 -0.00027 142 4XX 0.00000 -0.00014 0.00004 0.00008 -0.00003 143 4YY 0.00003 -0.00003 0.00002 0.00005 -0.00002 144 4ZZ -0.00002 0.00014 -0.00004 -0.00010 0.00005 145 4XY -0.00003 0.00009 0.00003 -0.00001 -0.00001 146 4XZ 0.00000 0.00001 0.00000 -0.00002 0.00000 147 4YZ 0.00004 -0.00005 -0.00003 0.00002 0.00002 148 16 C 1S 0.00005 0.00010 0.00010 0.00018 -0.00019 149 2S -0.00014 -0.00004 0.00004 -0.00024 -0.00007 150 2PX 0.00112 -0.00045 -0.00026 0.00165 -0.00050 151 2PY 0.00098 -0.00111 -0.00047 0.00062 -0.00021 152 2PZ -0.00090 0.00048 0.00017 -0.00135 0.00023 153 3S 0.00026 -0.00033 -0.00040 -0.00187 0.00164 154 3PX 0.00079 0.00014 -0.00082 0.00007 0.00037 155 3PY 0.00090 -0.00036 -0.00055 -0.00044 0.00061 156 3PZ -0.00035 -0.00008 -0.00005 -0.00093 0.00080 157 4XX 0.00006 0.00003 -0.00005 0.00004 0.00002 158 4YY -0.00001 -0.00001 -0.00002 -0.00006 -0.00002 159 4ZZ -0.00001 -0.00004 0.00004 0.00010 -0.00001 160 4XY 0.00012 -0.00024 0.00000 0.00029 -0.00005 161 4XZ -0.00006 0.00009 0.00003 -0.00008 -0.00005 162 4YZ -0.00013 0.00020 -0.00001 -0.00030 0.00005 163 17 H 1S 0.00012 -0.00060 0.00026 0.00048 -0.00011 164 2S 0.00038 -0.00132 0.00035 0.00118 -0.00027 165 18 H 1S -0.00020 0.00062 -0.00045 -0.00073 0.00012 166 2S -0.00023 0.00073 -0.00022 -0.00062 0.00042 167 19 O 1S -0.00004 -0.00007 -0.00020 -0.00011 0.00014 168 2S 0.00000 0.00014 0.00047 0.00016 -0.00015 169 2PX 0.00056 0.00002 -0.00080 -0.00059 0.00081 170 2PY -0.00024 0.00066 -0.00022 -0.00033 0.00016 171 2PZ -0.00030 -0.00126 0.00112 0.00133 -0.00077 172 3S 0.00020 -0.00016 0.00093 0.00111 -0.00109 173 3PX 0.00032 0.00000 -0.00060 -0.00060 0.00079 174 3PY -0.00020 0.00047 -0.00006 -0.00009 -0.00008 175 3PZ -0.00007 -0.00093 0.00079 0.00110 -0.00050 176 4XX -0.00005 -0.00002 0.00004 -0.00003 0.00003 177 4YY -0.00003 0.00003 0.00000 -0.00006 0.00005 178 4ZZ 0.00001 0.00004 -0.00004 -0.00004 0.00005 179 4XY 0.00001 0.00001 -0.00002 -0.00002 0.00005 180 4XZ -0.00001 0.00001 0.00005 -0.00001 -0.00001 181 4YZ -0.00005 0.00000 0.00005 -0.00002 -0.00001 182 20 H 1S 0.00276 -0.00025 0.00567 0.00208 -0.00549 183 2S -0.00031 0.00040 0.00580 0.00284 -0.00500 184 21 H 1S -0.00576 0.00363 -0.00695 -0.01312 0.00750 185 2S -0.00435 0.00446 -0.00698 -0.01252 0.00650 186 22 H 1S 0.00039 -0.00090 -0.00011 0.00130 -0.00010 187 2S 0.00064 -0.00135 0.00020 0.00175 -0.00041 188 23 H 1S -0.00037 0.00053 0.00014 -0.00044 0.00009 189 2S -0.00020 0.00066 -0.00005 -0.00083 0.00029 46 47 48 49 50 46 4 C 1S 2.05092 47 2S -0.05341 0.30682 48 2PX -0.00090 0.00094 0.41187 49 2PY 0.00199 -0.00122 -0.00499 0.38124 50 2PZ -0.00339 0.00249 -0.00314 -0.00574 0.38896 51 3S -0.18587 0.27976 -0.00646 0.00794 -0.02478 52 3PX -0.00226 0.00385 0.18596 -0.00356 0.00071 53 3PY -0.00044 -0.00253 0.00075 0.17352 -0.00966 54 3PZ -0.00163 0.00937 0.00745 -0.00608 0.17987 55 4XX -0.01787 0.00019 0.01073 -0.01029 0.01114 56 4YY -0.01551 -0.00514 0.00056 0.01508 -0.00102 57 4ZZ -0.01630 -0.00351 -0.01054 -0.00819 -0.00580 58 4XY 0.00056 -0.00106 -0.01582 0.00029 0.00039 59 4XZ 0.00050 -0.00110 0.01493 -0.00053 -0.01187 60 4YZ 0.00140 -0.00269 -0.00003 0.00069 -0.01284 61 5 C 1S 0.01252 -0.02336 0.01710 0.02348 0.06432 62 2S -0.02297 0.03914 -0.03377 -0.04865 -0.13740 63 2PX -0.02144 0.04301 0.00047 -0.02057 -0.10112 64 2PY -0.02955 0.05546 -0.02750 -0.03152 -0.12202 65 2PZ -0.05185 0.10797 -0.08306 -0.11036 -0.23453 66 3S -0.00158 0.01520 -0.03859 -0.03619 -0.11063 67 3PX -0.00447 0.01064 0.00010 -0.00743 -0.03886 68 3PY -0.00707 0.01663 -0.00297 -0.01297 -0.01882 69 3PZ -0.00574 0.02430 -0.01552 -0.05083 -0.09077 70 4XX 0.00165 -0.00383 0.00730 0.00064 0.00544 71 4YY 0.00169 -0.00346 0.00096 0.00950 0.00365 72 4ZZ -0.00512 0.00885 -0.00570 -0.00772 0.00068 73 4XY -0.00133 0.00249 0.00081 0.00065 -0.00406 74 4XZ -0.00200 0.00368 0.00911 -0.00272 -0.00359 75 4YZ -0.00340 0.00664 -0.00319 0.00439 -0.00853 76 6 C 1S -0.00300 0.00649 -0.00840 -0.00131 -0.01208 77 2S 0.00562 -0.01505 0.02187 0.00318 0.03132 78 2PX 0.00514 -0.01444 -0.00067 0.00228 0.04903 79 2PY -0.00155 0.00592 -0.01088 0.00421 -0.00703 80 2PZ 0.01145 -0.02805 0.03290 0.00688 0.02307 81 3S 0.00522 -0.00898 0.02769 -0.00917 0.00219 82 3PX 0.00086 0.00033 -0.00835 -0.00778 0.01027 83 3PY -0.00403 0.00849 -0.02937 0.00648 -0.03195 84 3PZ 0.00805 -0.01522 0.02849 0.00236 -0.00731 85 4XX -0.00046 0.00036 -0.00027 -0.00009 -0.00133 86 4YY 0.00081 -0.00158 0.00138 0.00124 0.00397 87 4ZZ -0.00156 0.00302 -0.00378 -0.00210 -0.00733 88 4XY -0.00079 0.00173 -0.00102 -0.00250 -0.00401 89 4XZ -0.00073 0.00157 -0.00129 -0.00115 -0.00608 90 4YZ -0.00027 0.00069 -0.00015 0.00024 -0.00074 91 7 H 1S -0.00090 0.00147 0.00009 0.00103 -0.00298 92 2S -0.00047 -0.00005 0.00382 0.00097 0.00410 93 8 H 1S -0.00717 0.01458 -0.00152 0.03618 -0.00434 94 2S -0.00907 0.01876 -0.00485 0.06045 -0.01993 95 9 H 1S 0.00761 -0.01999 -0.02272 -0.02939 -0.00278 96 2S 0.00792 -0.01756 -0.04406 -0.05181 -0.00224 97 10 H 1S -0.05306 0.10305 0.24409 -0.09284 0.06741 98 2S -0.00470 0.02007 0.21326 -0.07583 0.05567 99 11 H 1S 0.01166 -0.02374 0.00669 0.03132 0.03240 100 2S 0.01409 -0.02636 0.01510 0.05915 0.06669 101 12 H 1S -0.00710 0.01561 -0.01138 -0.01106 -0.03375 102 2S -0.00909 0.02150 -0.02683 -0.01591 -0.06649 103 13 C 1S -0.00135 0.00331 0.00010 0.00131 -0.00447 104 2S 0.00251 -0.00446 -0.00034 -0.00182 0.00621 105 2PX -0.00749 0.01643 -0.00554 0.00836 -0.02316 106 2PY 0.00026 -0.00225 0.00294 -0.00296 -0.00042 107 2PZ 0.00676 -0.01384 0.00340 -0.00671 0.01780 108 3S 0.00525 -0.02180 -0.00052 -0.00381 0.04389 109 3PX -0.00501 0.00780 -0.01195 0.01243 -0.01015 110 3PY 0.00098 0.00160 0.00919 -0.00418 -0.00924 111 3PZ 0.00473 -0.01516 0.00205 -0.00048 0.02307 112 4XX 0.00003 0.00002 -0.00010 -0.00020 -0.00037 113 4YY -0.00008 0.00002 -0.00039 0.00053 0.00052 114 4ZZ -0.00049 0.00104 0.00049 0.00051 -0.00123 115 4XY 0.00020 -0.00069 -0.00069 0.00008 0.00080 116 4XZ 0.00000 -0.00019 -0.00064 0.00001 0.00047 117 4YZ -0.00011 0.00086 0.00045 -0.00028 -0.00108 118 14 O 1S 0.00035 -0.00090 -0.00001 -0.00021 0.00074 119 2S -0.00036 0.00121 0.00059 0.00149 -0.00001 120 2PX 0.00404 -0.00894 0.00208 0.00085 0.00992 121 2PY -0.00108 0.00204 0.00350 0.00314 -0.00004 122 2PZ -0.00486 0.01105 0.00420 0.00132 -0.00776 123 3S -0.00302 0.00783 -0.00134 -0.00365 -0.01230 124 3PX 0.00391 -0.00956 0.00212 0.00073 0.01197 125 3PY -0.00036 0.00118 0.00403 0.00359 0.00176 126 3PZ -0.00479 0.00936 0.00351 0.00254 -0.00679 127 4XX 0.00039 -0.00038 0.00086 0.00007 0.00102 128 4YY 0.00020 -0.00039 -0.00015 0.00010 0.00069 129 4ZZ 0.00013 0.00006 -0.00014 0.00042 -0.00005 130 4XY -0.00012 0.00032 -0.00017 0.00007 -0.00049 131 4XZ -0.00004 0.00003 -0.00017 0.00007 -0.00004 132 4YZ 0.00012 -0.00006 0.00007 -0.00019 -0.00002 133 15 C 1S -0.00065 0.00137 0.00330 -0.00005 0.00042 134 2S 0.00156 -0.00373 -0.00908 -0.00032 -0.00083 135 2PX -0.00190 0.00417 0.00788 0.00096 0.00238 136 2PY 0.00001 0.00041 0.00186 0.00005 0.00246 137 2PZ 0.00281 -0.00423 -0.01836 0.00433 -0.00495 138 3S 0.00356 -0.00478 -0.01119 0.00019 -0.00240 139 3PX 0.00052 -0.00167 -0.00735 -0.00476 0.00093 140 3PY 0.00086 -0.00110 -0.00496 0.00071 0.00067 141 3PZ 0.00190 -0.00207 -0.01921 0.00415 -0.00710 142 4XX -0.00032 0.00025 0.00064 0.00036 0.00001 143 4YY -0.00006 0.00027 0.00022 0.00026 -0.00012 144 4ZZ 0.00026 -0.00041 -0.00038 -0.00035 -0.00005 145 4XY 0.00015 -0.00060 -0.00009 0.00014 0.00029 146 4XZ 0.00001 -0.00004 -0.00050 0.00006 0.00002 147 4YZ -0.00031 0.00062 0.00027 -0.00019 -0.00046 148 16 C 1S -0.00160 0.00237 0.00275 0.00037 -0.00219 149 2S 0.00232 -0.00724 -0.00839 0.00112 0.01167 150 2PX -0.00601 0.01600 0.01449 0.00147 -0.01969 151 2PY -0.00138 0.00411 0.00285 0.00184 -0.00129 152 2PZ 0.00522 -0.01807 -0.01389 0.00169 0.01864 153 3S 0.00606 -0.00124 -0.00166 -0.00812 -0.01872 154 3PX -0.00470 0.01726 0.02393 0.00042 -0.03174 155 3PY -0.00098 0.01048 0.00749 -0.00131 -0.02065 156 3PZ 0.00664 -0.00698 -0.00779 -0.00013 0.00119 157 4XX -0.00063 0.00056 0.00092 0.00003 -0.00036 158 4YY 0.00003 -0.00028 -0.00017 0.00039 0.00086 159 4ZZ -0.00062 0.00051 0.00050 0.00048 -0.00154 160 4XY -0.00037 0.00055 -0.00007 0.00037 -0.00068 161 4XZ 0.00066 -0.00101 -0.00114 0.00007 0.00209 162 4YZ 0.00023 -0.00046 0.00049 -0.00025 0.00104 163 17 H 1S -0.00148 0.00243 0.00374 0.00104 0.00045 164 2S -0.00291 0.00564 0.00935 0.00523 -0.00186 165 18 H 1S 0.00270 -0.00473 -0.00805 -0.00102 -0.00060 166 2S -0.00010 -0.00130 0.01067 -0.00203 0.00672 167 19 O 1S -0.00056 0.00099 0.00448 -0.00124 -0.00165 168 2S 0.00228 -0.00252 -0.00961 0.00340 0.00099 169 2PX -0.00379 0.01216 0.01822 -0.00615 -0.00593 170 2PY -0.00114 -0.00118 0.00506 -0.00452 0.00074 171 2PZ 0.00311 -0.00877 -0.02213 0.00845 -0.00281 172 3S -0.00116 -0.00488 -0.02703 0.00435 0.01800 173 3PX -0.00096 0.00699 0.01209 -0.00447 -0.00653 174 3PY -0.00086 -0.00248 -0.00199 -0.00335 0.00534 175 3PZ 0.00116 -0.00346 -0.01267 0.00584 -0.00685 176 4XX 0.00046 -0.00072 -0.00018 0.00039 0.00000 177 4YY 0.00040 -0.00042 -0.00023 -0.00003 -0.00064 178 4ZZ 0.00021 0.00056 0.00142 -0.00010 -0.00159 179 4XY -0.00008 0.00060 0.00078 -0.00045 -0.00066 180 4XZ 0.00030 -0.00048 -0.00179 0.00033 0.00045 181 4YZ 0.00031 -0.00067 -0.00146 0.00046 -0.00005 182 20 H 1S -0.05287 0.10196 -0.18017 -0.08049 0.17924 183 2S -0.00701 0.02105 -0.16487 -0.06625 0.15938 184 21 H 1S 0.00840 -0.02009 0.01885 -0.02734 -0.01614 185 2S 0.01010 -0.02085 0.03502 -0.05262 -0.02229 186 22 H 1S -0.00132 0.00099 -0.00111 0.00171 -0.00124 187 2S -0.00232 0.00125 -0.00626 0.00757 -0.00090 188 23 H 1S 0.00046 0.00109 0.00160 -0.00109 -0.00102 189 2S 0.00048 0.00573 0.00505 0.00098 -0.00801 51 52 53 54 55 51 3S 0.30211 52 3PX -0.00136 0.08586 53 3PY 0.00729 -0.00186 0.08588 54 3PZ -0.00699 0.00655 -0.00766 0.09073 55 4XX -0.00035 0.00492 -0.00456 0.00528 0.00114 56 4YY -0.00513 0.00019 0.00601 -0.00086 -0.00033 57 4ZZ -0.00015 -0.00478 -0.00318 -0.00238 -0.00017 58 4XY -0.00117 -0.00724 -0.00004 -0.00023 -0.00040 59 4XZ -0.00236 0.00664 0.00025 -0.00509 0.00023 60 4YZ -0.00250 -0.00016 0.00092 -0.00612 -0.00042 61 5 C 1S 0.00258 0.00271 0.00571 0.01309 0.00197 62 2S 0.02396 -0.01329 -0.01147 -0.04403 -0.00450 63 2PX 0.09363 -0.00004 -0.01358 -0.04353 -0.00736 64 2PY 0.11179 -0.01604 0.00263 -0.05772 -0.00166 65 2PZ 0.08684 -0.03739 -0.05336 -0.11716 -0.00375 66 3S 0.00025 -0.01154 -0.00988 -0.02320 -0.00464 67 3PX 0.04852 -0.00165 -0.00132 -0.01622 -0.00411 68 3PY 0.02853 0.00036 -0.00475 -0.00274 0.00008 69 3PZ -0.00064 -0.00756 -0.02377 -0.04786 0.00010 70 4XX -0.00365 0.00317 0.00081 0.00129 0.00055 71 4YY -0.00684 0.00064 0.00362 0.00256 -0.00029 72 4ZZ 0.01172 -0.00266 -0.00391 -0.00033 0.00004 73 4XY 0.00382 0.00043 -0.00012 -0.00239 -0.00017 74 4XZ 0.00373 0.00421 -0.00107 -0.00117 0.00027 75 4YZ 0.00654 -0.00139 0.00183 -0.00426 -0.00039 76 6 C 1S 0.00759 -0.00455 -0.00411 -0.00802 -0.00114 77 2S -0.01647 0.00904 0.00872 0.01864 0.00235 78 2PX 0.00174 -0.00128 0.00734 0.04076 -0.00086 79 2PY -0.01091 -0.00744 0.00450 0.00837 -0.00219 80 2PZ -0.07811 0.01497 0.02096 0.02261 0.00526 81 3S 0.01674 0.00630 0.01091 -0.00609 0.00156 82 3PX 0.02532 -0.00640 -0.00283 0.00784 -0.00186 83 3PY 0.02143 -0.01540 0.00708 -0.01122 -0.00297 84 3PZ -0.03851 0.01190 0.00932 -0.00484 0.00260 85 4XX 0.00276 -0.00006 0.00007 -0.00042 -0.00019 86 4YY -0.00435 0.00070 -0.00008 0.00203 0.00007 87 4ZZ 0.00350 -0.00170 -0.00119 -0.00434 -0.00013 88 4XY 0.00172 -0.00039 -0.00209 -0.00270 -0.00006 89 4XZ 0.00278 -0.00060 -0.00026 -0.00305 -0.00013 90 4YZ 0.00357 -0.00017 -0.00024 -0.00127 -0.00012 91 7 H 1S 0.00354 0.00130 -0.00023 -0.00070 0.00044 92 2S -0.00168 0.00383 -0.00067 0.00421 0.00114 93 8 H 1S 0.04598 -0.00397 0.03698 -0.00019 -0.00081 94 2S 0.05206 -0.00611 0.04915 -0.00658 -0.00228 95 9 H 1S -0.01941 -0.01473 -0.01812 -0.00845 -0.00095 96 2S -0.00380 -0.02327 -0.02464 -0.00581 -0.00070 97 10 H 1S 0.08095 0.11189 -0.04140 0.03909 0.01150 98 2S -0.00681 0.09433 -0.02999 0.02561 0.01044 99 11 H 1S -0.06427 0.00614 0.00753 0.02545 -0.00156 100 2S -0.06879 0.00962 0.01768 0.03802 -0.00043 101 12 H 1S 0.04177 -0.00463 -0.01304 -0.02991 -0.00119 102 2S 0.05147 -0.01222 -0.01569 -0.04622 -0.00276 103 13 C 1S 0.00485 -0.00199 -0.00085 -0.00127 -0.00017 104 2S -0.00903 0.00102 0.00100 0.00195 0.00043 105 2PX 0.04190 -0.01623 0.00751 -0.01812 -0.00142 106 2PY 0.00883 0.00247 -0.00146 -0.00012 -0.00011 107 2PZ -0.03611 0.00601 -0.01048 0.01474 0.00136 108 3S -0.04200 0.00318 -0.00214 0.02033 0.00139 109 3PX 0.02838 -0.01262 0.00969 -0.00941 -0.00147 110 3PY 0.00535 0.00702 -0.00077 -0.00151 0.00037 111 3PZ -0.03137 0.00619 -0.00395 0.01530 0.00129 112 4XX -0.00109 -0.00048 -0.00025 -0.00021 0.00000 113 4YY 0.00032 0.00016 0.00050 0.00046 0.00000 114 4ZZ 0.00204 0.00013 0.00008 -0.00077 -0.00004 115 4XY 0.00000 -0.00060 0.00040 0.00015 -0.00007 116 4XZ 0.00124 -0.00079 0.00020 -0.00018 -0.00003 117 4YZ -0.00020 -0.00027 -0.00075 -0.00029 0.00007 118 14 O 1S -0.00140 0.00066 -0.00032 0.00120 0.00004 119 2S 0.00520 -0.00117 0.00170 -0.00313 -0.00018 120 2PX -0.02578 0.00456 0.00796 0.00206 0.00035 121 2PY 0.00375 0.01137 0.00147 0.00661 0.00002 122 2PZ 0.01643 0.00984 -0.00791 0.00188 -0.00015 123 3S 0.00764 -0.00275 -0.00054 -0.01043 -0.00035 124 3PX -0.02367 0.00319 0.00614 0.00362 0.00055 125 3PY 0.00329 0.00886 0.00121 0.00583 0.00000 126 3PZ 0.01702 0.00549 -0.00421 -0.00022 -0.00026 127 4XX -0.00092 0.00070 -0.00017 0.00061 0.00007 128 4YY -0.00005 -0.00042 0.00011 0.00010 0.00001 129 4ZZ 0.00064 -0.00017 0.00046 0.00006 -0.00005 130 4XY 0.00066 -0.00030 -0.00028 -0.00015 -0.00001 131 4XZ 0.00026 -0.00021 0.00025 -0.00019 -0.00001 132 4YZ -0.00011 -0.00039 0.00016 -0.00026 0.00000 133 15 C 1S 0.00215 0.00092 -0.00061 -0.00086 -0.00002 134 2S -0.00212 -0.00275 0.00100 0.00004 -0.00013 135 2PX 0.00324 0.00254 -0.00028 -0.00164 -0.00008 136 2PY -0.00568 0.00022 -0.00103 0.00025 0.00010 137 2PZ -0.01753 -0.00969 0.00548 0.00069 -0.00011 138 3S -0.00295 -0.00371 0.00052 0.00040 -0.00031 139 3PX -0.00221 -0.00300 -0.00296 0.00092 -0.00023 140 3PY -0.00041 0.00015 -0.00061 0.00171 -0.00022 141 3PZ -0.00572 -0.01057 0.00459 -0.00645 -0.00043 142 4XX 0.00118 -0.00002 0.00041 -0.00132 0.00004 143 4YY -0.00037 -0.00007 0.00036 -0.00059 -0.00002 144 4ZZ -0.00068 0.00030 -0.00068 0.00184 -0.00001 145 4XY -0.00087 -0.00002 0.00096 -0.00079 0.00006 146 4XZ 0.00079 -0.00006 -0.00017 0.00014 -0.00002 147 4YZ 0.00190 0.00109 -0.00100 0.00153 -0.00005 148 16 C 1S 0.00255 0.00447 0.00152 -0.00311 -0.00041 149 2S -0.00748 -0.00430 0.00070 0.00600 0.00046 150 2PX 0.01136 0.01167 -0.00823 -0.00175 0.00106 151 2PY -0.00172 0.00523 0.00236 0.00096 -0.00006 152 2PZ -0.00087 0.00415 0.00977 0.00680 -0.00135 153 3S 0.00822 -0.00074 -0.00021 -0.00599 0.00009 154 3PX 0.00614 0.01151 -0.00630 -0.01038 0.00075 155 3PY 0.01295 0.00524 -0.00020 -0.00827 -0.00012 156 3PZ 0.00620 -0.00038 0.00482 -0.00124 -0.00115 157 4XX 0.00265 0.00163 -0.00103 0.00221 -0.00015 158 4YY -0.00173 -0.00055 0.00030 -0.00003 0.00004 159 4ZZ 0.00031 -0.00056 0.00096 -0.00250 0.00005 160 4XY 0.00252 -0.00074 0.00040 -0.00077 -0.00009 161 4XZ -0.00127 -0.00019 0.00011 0.00054 0.00012 162 4YZ -0.00140 0.00029 -0.00086 0.00121 0.00013 163 17 H 1S 0.00559 0.00051 0.00112 -0.00515 0.00001 164 2S 0.00913 0.00123 0.00425 -0.01008 0.00014 165 18 H 1S -0.01212 -0.00232 0.00035 0.00659 0.00011 166 2S -0.00943 0.00805 -0.00285 0.01558 0.00053 167 19 O 1S 0.00837 0.00231 -0.00265 0.00095 0.00014 168 2S -0.01856 -0.00416 0.00504 -0.00118 -0.00029 169 2PX 0.01251 0.01347 -0.01906 0.02775 -0.00092 170 2PY 0.03112 0.01811 -0.00895 0.01364 0.00024 171 2PZ -0.02064 -0.03046 0.03008 -0.04819 0.00025 172 3S -0.02749 -0.01422 0.00734 0.00314 -0.00059 173 3PX 0.00876 0.01047 -0.01350 0.01960 -0.00078 174 3PY 0.01882 0.00960 -0.00611 0.01100 0.00013 175 3PZ -0.01345 -0.01986 0.02006 -0.03600 0.00032 176 4XX -0.00045 -0.00034 0.00079 -0.00089 -0.00003 177 4YY 0.00149 0.00081 -0.00051 0.00054 -0.00002 178 4ZZ -0.00030 0.00048 -0.00047 -0.00017 0.00005 179 4XY 0.00034 0.00029 -0.00084 0.00070 -0.00005 180 4XZ -0.00070 -0.00073 -0.00010 0.00054 -0.00003 181 4YZ -0.00142 -0.00148 0.00139 -0.00194 0.00000 182 20 H 1S 0.09108 -0.07904 -0.04181 0.08298 0.00242 183 2S 0.01901 -0.07318 -0.03401 0.07123 0.00130 184 21 H 1S -0.03335 0.00937 -0.01271 -0.01225 0.00039 185 2S -0.03229 0.01823 -0.02122 -0.01142 0.00189 186 22 H 1S 0.01424 0.00071 0.00473 -0.00305 -0.00050 187 2S 0.01824 -0.00230 0.00674 -0.00337 -0.00091 188 23 H 1S -0.00630 -0.00653 -0.00366 -0.00269 0.00098 189 2S -0.00091 -0.00371 -0.00288 -0.00755 0.00068 56 57 58 59 60 56 4YY 0.00121 57 4ZZ -0.00033 0.00105 58 4XY 0.00003 0.00038 0.00096 59 4XZ 0.00007 -0.00033 -0.00054 0.00130 60 4YZ 0.00025 0.00018 0.00004 0.00042 0.00091 61 5 C 1S 0.00081 -0.00456 -0.00115 -0.00264 -0.00410 62 2S -0.00222 0.00848 0.00204 0.00525 0.00767 63 2PX -0.00072 0.00574 -0.00143 -0.00784 0.00393 64 2PY -0.00983 0.00738 -0.00103 0.00344 -0.00341 65 2PZ -0.00225 0.00104 0.00361 0.00572 0.00869 66 3S -0.00177 0.00861 0.00249 0.00331 0.00612 67 3PX -0.00125 0.00456 -0.00119 -0.00505 0.00155 68 3PY -0.00342 0.00229 -0.00060 0.00034 -0.00276 69 3PZ -0.00015 -0.00148 0.00105 0.00512 0.00415 70 4XX -0.00011 -0.00043 -0.00026 0.00024 -0.00030 71 4YY 0.00085 -0.00039 0.00005 -0.00016 0.00031 72 4ZZ -0.00055 0.00029 0.00009 -0.00052 -0.00033 73 4XY 0.00004 -0.00001 -0.00006 -0.00012 0.00008 74 4XZ -0.00019 -0.00011 -0.00038 0.00062 0.00002 75 4YZ 0.00020 -0.00009 0.00013 0.00011 0.00031 76 6 C 1S 0.00068 -0.00030 0.00024 -0.00130 0.00054 77 2S -0.00152 0.00016 -0.00073 0.00292 -0.00141 78 2PX -0.00309 0.00630 -0.00134 -0.00156 -0.00384 79 2PY 0.00171 -0.00095 -0.00013 -0.00304 0.00173 80 2PZ -0.00200 -0.00133 0.00011 0.00928 -0.00056 81 3S -0.00276 0.00089 -0.00124 0.00203 0.00073 82 3PX -0.00146 0.00367 -0.00085 -0.00284 -0.00128 83 3PY -0.00003 0.00189 0.00104 -0.00235 0.00183 84 3PZ -0.00033 -0.00193 -0.00037 0.00493 0.00127 85 4XX -0.00015 0.00036 -0.00004 -0.00027 -0.00005 86 4YY 0.00035 -0.00033 0.00002 -0.00010 0.00011 87 4ZZ -0.00005 0.00002 0.00015 0.00019 0.00019 88 4XY 0.00000 -0.00010 0.00001 0.00001 0.00008 89 4XZ -0.00017 0.00024 0.00004 0.00024 0.00012 90 4YZ -0.00008 0.00004 -0.00002 -0.00032 -0.00005 91 7 H 1S -0.00008 0.00018 -0.00020 0.00062 -0.00110 92 2S -0.00033 -0.00007 -0.00069 0.00148 -0.00253 93 8 H 1S -0.00011 -0.00001 0.00029 -0.00020 0.00198 94 2S 0.00023 0.00044 0.00036 -0.00043 0.00306 95 9 H 1S 0.00174 0.00161 0.00761 -0.00092 0.00178 96 2S -0.00149 0.00325 0.00741 -0.00198 0.00143 97 10 H 1S -0.00486 -0.00664 -0.01023 0.00741 -0.00360 98 2S -0.00282 -0.00648 -0.00917 0.00855 -0.00244 99 11 H 1S 0.00650 -0.00183 0.00121 -0.00093 0.00479 100 2S 0.00718 -0.00457 0.00058 -0.00158 0.00206 101 12 H 1S 0.00007 -0.00017 0.00039 -0.00149 0.00084 102 2S -0.00017 0.00099 0.00092 -0.00196 0.00199 103 13 C 1S 0.00005 0.00010 -0.00010 0.00018 0.00019 104 2S -0.00014 -0.00004 -0.00003 -0.00024 0.00007 105 2PX 0.00112 -0.00045 0.00026 0.00165 0.00050 106 2PY -0.00098 0.00111 -0.00047 -0.00062 -0.00021 107 2PZ -0.00090 0.00048 -0.00017 -0.00135 -0.00023 108 3S 0.00026 -0.00033 0.00040 -0.00187 -0.00164 109 3PX 0.00079 0.00014 0.00082 0.00007 -0.00037 110 3PY -0.00090 0.00036 -0.00056 0.00044 0.00061 111 3PZ -0.00035 -0.00008 0.00005 -0.00093 -0.00080 112 4XX 0.00006 0.00003 0.00005 0.00004 -0.00002 113 4YY -0.00001 -0.00001 0.00002 -0.00006 0.00002 114 4ZZ -0.00001 -0.00004 -0.00004 0.00010 0.00001 115 4XY -0.00012 0.00024 0.00000 -0.00029 -0.00005 116 4XZ -0.00006 0.00009 -0.00003 -0.00008 0.00005 117 4YZ 0.00013 -0.00020 -0.00001 0.00030 0.00005 118 14 O 1S -0.00004 -0.00007 0.00020 -0.00011 -0.00014 119 2S 0.00000 0.00014 -0.00047 0.00016 0.00015 120 2PX 0.00056 0.00002 0.00080 -0.00059 -0.00081 121 2PY 0.00024 -0.00066 -0.00022 0.00033 0.00016 122 2PZ -0.00030 -0.00126 -0.00112 0.00133 0.00077 123 3S 0.00020 -0.00016 -0.00093 0.00111 0.00109 124 3PX 0.00032 0.00000 0.00060 -0.00060 -0.00079 125 3PY 0.00020 -0.00047 -0.00006 0.00009 -0.00008 126 3PZ -0.00007 -0.00093 -0.00079 0.00109 0.00050 127 4XX -0.00005 -0.00002 -0.00004 -0.00003 -0.00003 128 4YY -0.00003 0.00003 0.00000 -0.00006 -0.00005 129 4ZZ 0.00001 0.00004 0.00004 -0.00004 -0.00005 130 4XY -0.00001 -0.00001 -0.00002 0.00002 0.00005 131 4XZ -0.00001 0.00001 -0.00005 -0.00001 0.00001 132 4YZ 0.00005 0.00000 0.00005 0.00002 -0.00001 133 15 C 1S 0.00007 -0.00007 -0.00013 0.00031 0.00004 134 2S -0.00026 0.00031 0.00022 -0.00060 -0.00002 135 2PX 0.00029 -0.00045 -0.00040 0.00058 0.00003 136 2PY -0.00006 -0.00004 -0.00023 0.00013 -0.00015 137 2PZ 0.00016 0.00026 0.00062 -0.00055 0.00015 138 3S -0.00036 0.00070 0.00022 -0.00098 -0.00006 139 3PX -0.00004 0.00033 -0.00002 -0.00021 -0.00001 140 3PY -0.00001 0.00011 0.00030 -0.00028 -0.00003 141 3PZ 0.00024 -0.00014 0.00032 -0.00007 0.00027 142 4XX 0.00000 -0.00014 -0.00004 0.00008 0.00003 143 4YY 0.00003 -0.00003 -0.00002 0.00005 0.00002 144 4ZZ -0.00002 0.00014 0.00004 -0.00010 -0.00005 145 4XY 0.00003 -0.00009 0.00003 0.00001 -0.00001 146 4XZ 0.00000 0.00001 0.00000 -0.00002 0.00000 147 4YZ -0.00004 0.00005 -0.00003 -0.00002 0.00002 148 16 C 1S 0.00002 -0.00071 -0.00011 0.00080 0.00005 149 2S -0.00044 0.00039 0.00043 -0.00161 -0.00026 150 2PX 0.00241 -0.00460 -0.00026 0.00571 0.00064 151 2PY 0.00090 -0.00118 0.00006 0.00109 0.00024 152 2PZ -0.00246 0.00367 0.00017 -0.00603 -0.00063 153 3S -0.00193 0.00176 0.00003 -0.00100 0.00124 154 3PX 0.00187 -0.00344 -0.00086 0.00534 0.00131 155 3PY 0.00015 -0.00076 -0.00052 0.00189 0.00081 156 3PZ -0.00175 0.00268 0.00002 -0.00366 0.00021 157 4XX -0.00006 0.00024 -0.00009 -0.00014 -0.00006 158 4YY 0.00009 -0.00008 0.00002 0.00004 0.00002 159 4ZZ 0.00005 -0.00017 0.00000 0.00017 0.00005 160 4XY 0.00006 0.00003 0.00001 0.00001 0.00004 161 4XZ 0.00001 -0.00016 0.00005 -0.00002 -0.00003 162 4YZ -0.00004 0.00000 0.00000 0.00001 -0.00004 163 17 H 1S 0.00012 -0.00060 -0.00026 0.00048 0.00011 164 2S 0.00038 -0.00132 -0.00035 0.00118 0.00027 165 18 H 1S -0.00020 0.00062 0.00045 -0.00073 -0.00012 166 2S -0.00023 0.00073 0.00022 -0.00062 -0.00042 167 19 O 1S -0.00007 0.00013 -0.00014 0.00013 0.00001 168 2S 0.00012 -0.00040 0.00034 -0.00031 0.00010 169 2PX -0.00022 0.00224 -0.00076 0.00009 -0.00011 170 2PY -0.00054 -0.00010 -0.00014 -0.00041 -0.00023 171 2PZ 0.00078 -0.00182 0.00109 0.00039 0.00069 172 3S 0.00044 -0.00016 0.00080 -0.00116 -0.00073 173 3PX -0.00045 0.00192 -0.00051 -0.00034 0.00011 174 3PY -0.00037 0.00007 0.00004 -0.00063 -0.00034 175 3PZ 0.00083 -0.00189 0.00072 0.00109 0.00072 176 4XX -0.00008 0.00010 0.00001 -0.00016 0.00002 177 4YY -0.00001 0.00000 0.00003 0.00000 0.00004 178 4ZZ 0.00006 -0.00010 -0.00003 0.00024 0.00005 179 4XY -0.00001 0.00010 -0.00004 0.00003 0.00002 180 4XZ 0.00002 0.00001 0.00007 -0.00005 -0.00001 181 4YZ -0.00001 -0.00001 0.00006 -0.00007 0.00002 182 20 H 1S -0.00576 0.00364 0.00696 -0.01312 -0.00751 183 2S -0.00434 0.00446 0.00698 -0.01252 -0.00651 184 21 H 1S 0.00275 -0.00025 -0.00568 0.00207 0.00549 185 2S -0.00032 0.00040 -0.00580 0.00284 0.00499 186 22 H 1S -0.00037 0.00053 -0.00014 -0.00044 -0.00009 187 2S -0.00020 0.00066 0.00005 -0.00083 -0.00029 188 23 H 1S 0.00039 -0.00090 0.00011 0.00130 0.00010 189 2S 0.00064 -0.00135 -0.00020 0.00175 0.00041 61 62 63 64 65 61 5 C 1S 2.05499 62 2S -0.06133 0.32633 63 2PX 0.00315 -0.00483 0.35439 64 2PY 0.00191 0.00376 -0.02302 0.41151 65 2PZ 0.00214 0.00093 0.04001 0.00391 0.38399 66 3S -0.19780 0.29069 0.01223 -0.00350 -0.02807 67 3PX -0.00758 0.01604 0.19637 0.01982 -0.03217 68 3PY -0.00758 -0.00820 -0.00468 0.13002 -0.01758 69 3PZ 0.00297 -0.00462 -0.04854 -0.01430 0.17020 70 4XX -0.01132 -0.01296 -0.00888 0.00494 -0.00137 71 4YY -0.01838 0.00158 0.00429 -0.02195 -0.00253 72 4ZZ -0.01398 -0.00730 0.00781 0.01079 0.00470 73 4XY 0.00161 -0.00345 0.00762 0.00004 0.00415 74 4XZ -0.00249 0.00560 -0.00453 0.00528 -0.00115 75 4YZ -0.00081 0.00153 0.00335 -0.00230 0.01081 76 6 C 1S 0.01788 -0.03384 0.05514 -0.03906 0.04363 77 2S -0.03602 0.06176 -0.11749 0.07547 -0.08979 78 2PX -0.05991 0.12166 0.00709 0.13787 -0.21173 79 2PY 0.03622 -0.07537 0.13526 -0.05077 0.08012 80 2PZ -0.04300 0.08347 -0.24258 0.06404 -0.01510 81 3S 0.01166 0.01682 -0.04580 0.10482 -0.05015 82 3PX -0.00739 0.03363 0.07528 0.06145 -0.08999 83 3PY 0.00605 -0.00950 0.09236 0.00966 0.03205 84 3PZ 0.00475 0.00613 -0.09987 0.00562 0.03879 85 4XX -0.00160 0.00278 0.00836 0.00424 -0.00521 86 4YY 0.00118 -0.00343 0.00219 -0.01331 0.00246 87 4ZZ -0.00024 0.00008 -0.00219 0.00189 0.01017 88 4XY 0.00373 -0.00671 0.00235 0.00163 0.00838 89 4XZ -0.00330 0.00637 -0.00296 0.00724 0.00074 90 4YZ 0.00332 -0.00626 0.00857 0.00162 0.00096 91 7 H 1S -0.00753 0.01707 -0.03031 0.01511 -0.01497 92 2S -0.01234 0.02410 -0.06563 0.03045 -0.02983 93 8 H 1S -0.00252 0.00795 0.01088 0.00924 -0.00291 94 2S -0.00361 0.01394 0.03433 0.02541 -0.00579 95 9 H 1S -0.00421 0.01109 0.01223 0.01109 0.01093 96 2S -0.00628 0.01443 0.02775 0.02016 0.01337 97 10 H 1S 0.00809 -0.01963 -0.02500 -0.00183 -0.02344 98 2S 0.01421 -0.02689 -0.08201 -0.01218 -0.02897 99 11 H 1S -0.05969 0.11295 0.02938 -0.26416 -0.02267 100 2S -0.01311 0.02597 0.00925 -0.24493 -0.02201 101 12 H 1S 0.01338 -0.02791 0.03271 -0.00422 0.03215 102 2S 0.01887 -0.03229 0.07741 0.00140 0.06793 103 13 C 1S -0.00096 0.00324 0.00345 0.00441 -0.00066 104 2S 0.00309 -0.00397 -0.00801 -0.00650 0.00422 105 2PX -0.00602 0.01970 0.00551 0.00668 -0.00167 106 2PY -0.00166 0.00257 0.02186 0.01611 -0.01217 107 2PZ 0.00542 -0.01607 -0.01141 -0.00645 0.00572 108 3S -0.00390 -0.01547 -0.01236 -0.04105 -0.01992 109 3PX -0.00525 0.01582 0.01447 0.00810 -0.01701 110 3PY 0.00344 -0.00096 0.00299 0.01500 0.01066 111 3PZ 0.00095 -0.01385 -0.02189 -0.00944 -0.00461 112 4XX -0.00015 0.00009 -0.00100 0.00028 0.00082 113 4YY 0.00008 -0.00002 0.00030 -0.00010 -0.00048 114 4ZZ -0.00011 0.00080 0.00016 0.00085 0.00001 115 4XY -0.00037 0.00017 0.00560 0.00230 -0.00325 116 4XZ -0.00016 0.00052 0.00162 0.00076 -0.00149 117 4YZ 0.00043 -0.00030 -0.00505 -0.00154 0.00330 118 14 O 1S -0.00022 -0.00083 -0.00029 -0.00057 -0.00038 119 2S -0.00032 0.00189 0.00260 0.00159 -0.00241 120 2PX 0.00196 -0.01053 -0.00512 -0.00636 0.00385 121 2PY 0.00012 -0.00069 -0.00505 -0.00592 0.00207 122 2PZ -0.00038 0.00618 -0.01085 -0.00505 0.00366 123 3S 0.00417 0.00260 -0.00467 0.00354 0.01629 124 3PX 0.00087 -0.00950 -0.00800 -0.00668 0.00037 125 3PY -0.00084 -0.00063 -0.00068 -0.00534 -0.00212 126 3PZ -0.00100 0.00695 -0.00652 -0.00313 0.00013 127 4XX 0.00013 -0.00070 -0.00054 -0.00032 -0.00035 128 4YY -0.00035 0.00001 0.00039 0.00001 -0.00100 129 4ZZ -0.00059 0.00049 0.00161 0.00047 -0.00143 130 4XY 0.00006 0.00032 -0.00006 -0.00005 0.00023 131 4XZ -0.00001 0.00012 0.00024 0.00009 -0.00015 132 4YZ 0.00000 -0.00005 -0.00046 -0.00022 0.00048 133 15 C 1S 0.00031 0.00016 -0.00230 -0.00028 0.00028 134 2S -0.00014 0.00012 0.00528 0.00125 -0.00036 135 2PX 0.00106 -0.00104 -0.00789 -0.00129 0.00106 136 2PY 0.00028 -0.00035 -0.00361 0.00069 -0.00187 137 2PZ -0.00089 0.00172 -0.00116 -0.00103 0.00274 138 3S -0.00167 -0.00067 0.01412 0.00313 -0.00049 139 3PX 0.00070 0.00067 -0.00054 0.00011 0.00161 140 3PY -0.00010 0.00080 0.00121 -0.00034 -0.00116 141 3PZ -0.00013 0.00145 -0.01062 -0.00169 0.00866 142 4XX 0.00047 -0.00028 -0.00260 -0.00032 0.00062 143 4YY 0.00012 -0.00014 -0.00035 -0.00024 0.00036 144 4ZZ -0.00034 0.00032 0.00261 0.00051 -0.00089 145 4XY 0.00036 -0.00075 -0.00234 -0.00068 0.00100 146 4XZ -0.00011 0.00015 0.00004 -0.00017 -0.00005 147 4YZ -0.00050 0.00078 0.00242 0.00047 -0.00097 148 16 C 1S -0.00195 0.00260 -0.00843 -0.00428 0.00244 149 2S 0.00085 -0.01172 0.01025 0.00287 -0.00673 150 2PX 0.00438 -0.00253 -0.10006 -0.03473 0.05650 151 2PY -0.00057 0.00518 -0.02520 -0.01766 0.00963 152 2PZ -0.00771 0.01090 0.08812 0.02311 -0.05946 153 3S 0.01939 -0.00897 0.03370 0.03755 0.01772 154 3PX -0.00116 0.00241 -0.06898 -0.02648 0.05827 155 3PY 0.00042 0.00593 -0.01876 0.00966 0.01998 156 3PZ 0.00289 0.00279 0.07191 0.01844 -0.02544 157 4XX -0.00166 0.00291 0.00639 0.00236 -0.00506 158 4YY -0.00015 -0.00072 -0.00200 -0.00233 0.00114 159 4ZZ 0.00005 -0.00093 -0.00300 -0.00031 0.00308 160 4XY -0.00065 0.00175 0.00232 -0.00081 -0.00135 161 4XZ 0.00087 -0.00215 -0.00444 -0.00155 0.00101 162 4YZ 0.00069 -0.00189 -0.00161 0.00050 0.00103 163 17 H 1S 0.00142 -0.00087 -0.01077 -0.00153 0.00282 164 2S 0.00191 -0.00083 -0.02156 -0.00370 0.00565 165 18 H 1S -0.00145 0.00102 0.00985 0.00186 -0.00338 166 2S -0.00191 0.00050 0.01929 0.00327 -0.01361 167 19 O 1S -0.00006 0.00124 0.00404 0.00016 0.00063 168 2S 0.00144 -0.00357 -0.00921 -0.00011 0.00160 169 2PX -0.00871 0.01381 0.06018 0.01144 -0.01992 170 2PY -0.00185 0.00158 0.00861 -0.00100 -0.00435 171 2PZ 0.00815 -0.00917 -0.05232 -0.01312 0.02774 172 3S -0.00560 -0.00091 -0.01760 -0.00057 -0.01791 173 3PX -0.00393 0.01000 0.05169 0.01067 -0.01445 174 3PY -0.00167 0.00082 0.00515 -0.00137 -0.00723 175 3PZ 0.00724 -0.00760 -0.04912 -0.01409 0.03125 176 4XX 0.00024 -0.00022 0.00249 0.00102 -0.00083 177 4YY 0.00041 0.00028 0.00014 -0.00053 0.00077 178 4ZZ 0.00077 -0.00013 -0.00221 -0.00025 0.00242 179 4XY -0.00030 0.00069 0.00263 0.00048 -0.00036 180 4XZ 0.00009 -0.00043 -0.00078 -0.00003 0.00006 181 4YZ 0.00035 -0.00059 -0.00104 0.00015 0.00079 182 20 H 1S 0.00810 -0.02346 -0.00302 -0.00514 -0.02614 183 2S 0.01254 -0.02988 0.00774 -0.01030 -0.05903 184 21 H 1S -0.00193 0.00809 -0.00892 0.00399 0.02443 185 2S -0.00256 0.00828 -0.01197 0.01245 0.03386 186 22 H 1S -0.00217 0.00569 0.01887 0.00820 -0.01269 187 2S -0.00428 0.00822 0.02244 0.01240 -0.02171 188 23 H 1S 0.00600 -0.01491 -0.02504 -0.00207 0.02148 189 2S 0.00674 -0.01323 -0.02735 -0.00707 0.02821 66 67 68 69 70 66 3S 0.30060 67 3PX 0.02129 0.12487 68 3PY 0.00563 0.00624 0.05321 69 3PZ -0.02581 -0.05272 -0.01514 0.09658 70 4XX -0.01129 -0.00518 0.00167 0.00075 0.00149 71 4YY 0.00386 0.00113 -0.00652 -0.00038 -0.00052 72 4ZZ -0.00678 0.00449 0.00330 -0.00006 0.00007 73 4XY -0.00321 0.00319 -0.00011 0.00028 0.00000 74 4XZ 0.00351 -0.00169 0.00145 0.00063 -0.00001 75 4YZ 0.00061 0.00006 -0.00162 0.00357 -0.00014 76 6 C 1S -0.00917 0.01230 -0.00984 0.00436 -0.00196 77 2S 0.03347 -0.03508 0.02574 -0.01208 0.00317 78 2PX 0.13110 0.04975 0.05358 -0.09571 -0.01090 79 2PY -0.05002 0.06232 -0.00541 0.03267 -0.00515 80 2PZ 0.09080 -0.12907 0.02377 0.02879 0.00700 81 3S -0.02630 0.00785 0.01881 -0.00661 0.00431 82 3PX 0.02878 0.06573 0.01760 -0.05088 -0.00751 83 3PY -0.00108 0.05178 0.00217 -0.00023 -0.00330 84 3PZ 0.00199 -0.06093 -0.00261 0.03337 0.00592 85 4XX 0.00396 0.00568 0.00159 -0.00483 -0.00025 86 4YY -0.00287 -0.00025 -0.00408 0.00198 -0.00020 87 4ZZ -0.00162 -0.00269 -0.00056 0.00448 0.00012 88 4XY -0.00854 -0.00001 0.00027 0.00455 0.00005 89 4XZ 0.00402 -0.00054 0.00162 0.00042 0.00004 90 4YZ -0.00762 0.00548 0.00012 -0.00162 0.00034 91 7 H 1S 0.04153 -0.02563 0.00660 -0.01358 0.00034 92 2S 0.04888 -0.04372 0.01574 -0.01523 0.00109 93 8 H 1S 0.00542 0.01175 -0.00990 -0.00326 -0.00021 94 2S 0.01443 0.02816 -0.00402 -0.00905 -0.00090 95 9 H 1S 0.01103 0.00908 -0.00455 0.00280 -0.00024 96 2S 0.01062 0.02204 -0.00341 -0.00197 -0.00114 97 10 H 1S -0.03206 -0.01669 0.00582 0.00221 0.00458 98 2S -0.04475 -0.04622 -0.00375 0.01694 0.00610 99 11 H 1S 0.11235 0.00497 -0.08410 -0.00407 -0.00852 100 2S 0.03319 -0.01110 -0.07232 0.00215 -0.00501 101 12 H 1S -0.05772 0.01769 -0.01041 0.00730 0.00307 102 2S -0.05898 0.03768 -0.01146 0.01283 0.00158 103 13 C 1S -0.00040 0.00317 -0.00096 -0.00133 -0.00050 104 2S -0.00631 -0.00580 -0.00158 0.00434 0.00121 105 2PX -0.01556 0.01644 -0.02124 -0.00019 -0.00642 106 2PY 0.00888 0.01834 0.00078 -0.01980 0.00218 107 2PZ 0.00403 -0.02240 0.01483 -0.00082 0.00550 108 3S -0.00131 -0.00671 -0.00009 -0.00728 0.00314 109 3PX -0.00104 0.01959 -0.01034 -0.00997 -0.00457 110 3PY 0.00791 -0.00144 0.00611 -0.00096 0.00247 111 3PZ 0.00824 -0.02259 0.01129 -0.00260 0.00448 112 4XX 0.00048 -0.00095 0.00073 0.00042 0.00002 113 4YY 0.00091 0.00000 0.00033 -0.00014 0.00001 114 4ZZ -0.00076 0.00059 -0.00107 -0.00012 -0.00011 115 4XY 0.00075 0.00377 0.00101 -0.00331 0.00023 116 4XZ -0.00094 0.00169 -0.00101 -0.00148 -0.00002 117 4YZ -0.00172 -0.00388 -0.00112 0.00305 -0.00021 118 14 O 1S 0.00478 0.00034 0.00292 -0.00037 0.00005 119 2S -0.01174 0.00061 -0.00710 -0.00261 0.00009 120 2PX 0.01339 -0.00598 0.01718 0.00466 0.00284 121 2PY 0.01503 -0.01028 0.00351 0.00626 -0.00057 122 2PZ -0.00939 -0.00676 -0.01291 0.01133 -0.00300 123 3S -0.02206 -0.00577 -0.01076 0.01417 -0.00127 124 3PX 0.00989 -0.00764 0.01268 0.00165 0.00285 125 3PY 0.01202 -0.00555 0.00296 0.00118 -0.00037 126 3PZ -0.00809 -0.00206 -0.01200 0.00636 -0.00270 127 4XX -0.00027 -0.00061 0.00014 -0.00022 0.00027 128 4YY -0.00009 0.00059 -0.00005 -0.00109 0.00006 129 4ZZ 0.00112 0.00155 0.00034 -0.00116 -0.00011 130 4XY -0.00078 -0.00003 -0.00066 0.00012 -0.00012 131 4XZ -0.00042 0.00039 -0.00024 -0.00009 -0.00002 132 4YZ -0.00012 -0.00021 0.00012 0.00030 -0.00002 133 15 C 1S -0.00427 -0.00077 -0.00191 0.00078 0.00004 134 2S 0.00569 0.00092 0.00097 -0.00391 0.00020 135 2PX -0.01578 -0.00104 -0.00453 0.00864 0.00021 136 2PY -0.00789 0.00267 0.00141 0.00227 0.00035 137 2PZ 0.01037 -0.00059 0.00641 0.00421 -0.00101 138 3S 0.00771 0.00509 0.00322 -0.00671 0.00069 139 3PX -0.00050 0.00104 0.00155 0.00250 -0.00030 140 3PY 0.00407 0.00170 0.00207 -0.00056 -0.00023 141 3PZ -0.00685 -0.00525 -0.00533 0.00992 -0.00113 142 4XX -0.00397 -0.00129 -0.00246 0.00156 0.00006 143 4YY -0.00117 0.00005 -0.00051 0.00071 -0.00003 144 4ZZ 0.00503 0.00109 0.00301 -0.00210 -0.00004 145 4XY -0.00072 -0.00172 -0.00061 0.00133 0.00015 146 4XZ 0.00050 -0.00014 -0.00009 -0.00040 -0.00006 147 4YZ 0.00382 0.00104 0.00135 -0.00158 -0.00024 148 16 C 1S 0.00479 0.00166 -0.00191 0.00396 -0.00149 149 2S 0.00189 -0.00231 0.00685 -0.00721 0.00264 150 2PX -0.00879 -0.06593 -0.01520 0.05403 -0.00496 151 2PY -0.00297 -0.01542 -0.00273 0.01961 -0.00346 152 2PZ 0.03432 0.06243 0.01958 -0.05024 0.00291 153 3S 0.00633 0.00810 0.01662 -0.00658 0.00472 154 3PX -0.01131 -0.04891 -0.01405 0.04816 -0.00307 155 3PY -0.00142 -0.01364 -0.00006 0.01789 -0.00193 156 3PZ 0.01276 0.04703 0.01040 -0.03220 0.00247 157 4XX 0.00712 0.00462 0.00312 -0.00457 -0.00044 158 4YY -0.00221 -0.00123 -0.00109 0.00142 0.00004 159 4ZZ -0.00431 -0.00194 -0.00251 0.00257 0.00018 160 4XY -0.00026 0.00166 -0.00187 -0.00108 -0.00038 161 4XZ -0.00174 -0.00304 -0.00075 0.00144 0.00023 162 4YZ 0.00001 -0.00252 0.00115 -0.00021 0.00043 163 17 H 1S -0.01834 -0.00437 -0.01006 0.00827 0.00012 164 2S -0.02969 -0.00959 -0.01784 0.01473 -0.00027 165 18 H 1S 0.02158 0.00373 0.01273 -0.00671 -0.00017 166 2S 0.03436 0.00894 0.02261 -0.01663 0.00052 167 19 O 1S -0.00072 -0.00230 -0.00275 -0.00410 0.00035 168 2S 0.00713 0.00371 0.00817 0.00911 -0.00046 169 2PX 0.06013 0.03304 0.03525 -0.03603 -0.00293 170 2PY 0.03806 -0.01207 0.00555 -0.01762 -0.00032 171 2PZ -0.09375 -0.02385 -0.05511 0.04419 0.00201 172 3S 0.00112 0.00864 0.00729 0.00832 -0.00246 173 3PX 0.04691 0.02864 0.02789 -0.02875 -0.00148 174 3PY 0.02465 -0.00708 0.00347 -0.01326 -0.00033 175 3PZ -0.06962 -0.02555 -0.04139 0.04031 0.00128 176 4XX -0.00102 0.00166 -0.00027 -0.00089 0.00033 177 4YY 0.00234 -0.00115 0.00011 -0.00071 -0.00001 178 4ZZ 0.00015 -0.00189 0.00022 0.00145 -0.00001 179 4XY 0.00189 0.00172 0.00110 -0.00119 -0.00010 180 4XZ 0.00061 -0.00060 0.00050 0.00008 -0.00002 181 4YZ -0.00343 -0.00027 -0.00176 0.00116 0.00021 182 20 H 1S -0.01620 0.00408 0.00732 -0.02954 -0.00244 183 2S -0.01437 0.01446 0.00678 -0.04306 -0.00103 184 21 H 1S -0.00361 -0.00075 -0.00944 0.02497 0.00137 185 2S 0.00097 -0.00617 -0.00179 0.02865 0.00250 186 22 H 1S 0.00326 0.01990 -0.00385 -0.01165 -0.00039 187 2S 0.00517 0.02251 -0.00369 -0.01652 -0.00119 188 23 H 1S -0.01939 -0.02450 -0.00643 0.01187 0.00237 189 2S -0.02509 -0.02492 -0.01125 0.01827 0.00128 71 72 73 74 75 71 4YY 0.00186 72 4ZZ -0.00073 0.00145 73 4XY -0.00013 0.00035 0.00042 74 4XZ -0.00039 0.00006 -0.00009 0.00069 75 4YZ 0.00011 0.00004 0.00027 -0.00008 0.00065 76 6 C 1S 0.00153 0.00017 0.00334 -0.00415 0.00299 77 2S -0.00338 -0.00118 -0.00665 0.00766 -0.00599 78 2PX -0.00154 0.00180 -0.00346 0.00321 -0.00806 79 2PY 0.01234 -0.00099 -0.00259 -0.00661 -0.00166 80 2PZ -0.00144 -0.01328 -0.00806 0.00046 -0.00179 81 3S -0.00596 0.00226 -0.00401 0.00598 -0.00437 82 3PX -0.00072 0.00471 0.00042 0.00115 -0.00323 83 3PY 0.00312 0.00133 0.00006 -0.00283 0.00034 84 3PZ -0.00082 -0.00632 -0.00233 -0.00064 0.00096 85 4XX -0.00024 0.00025 0.00028 -0.00009 0.00001 86 4YY 0.00096 -0.00037 -0.00009 -0.00031 0.00002 87 4ZZ -0.00047 0.00030 0.00028 0.00010 0.00044 88 4XY -0.00024 0.00056 0.00027 0.00010 0.00010 89 4XZ -0.00056 0.00018 -0.00003 0.00045 0.00005 90 4YZ -0.00029 0.00043 0.00026 -0.00003 0.00013 91 7 H 1S -0.00257 0.00002 0.00085 0.00030 0.00058 92 2S -0.00387 -0.00050 0.00037 0.00117 0.00017 93 8 H 1S 0.00086 -0.00008 -0.00059 -0.00023 0.00041 94 2S 0.00150 -0.00030 -0.00078 -0.00062 0.00057 95 9 H 1S -0.00155 0.00123 -0.00019 -0.00082 -0.00098 96 2S -0.00211 0.00239 -0.00041 -0.00093 -0.00075 97 10 H 1S -0.00287 0.00115 -0.00002 0.00707 -0.00220 98 2S -0.00199 -0.00220 -0.00147 0.00574 -0.00327 99 11 H 1S 0.01671 -0.00993 -0.00154 -0.00194 0.00170 100 2S 0.01588 -0.00874 -0.00135 -0.00309 0.00104 101 12 H 1S -0.00535 0.00632 0.00349 0.00387 0.00211 102 2S -0.00515 0.00695 0.00520 0.00176 0.00393 103 13 C 1S -0.00011 0.00057 -0.00027 0.00026 0.00015 104 2S 0.00040 -0.00090 0.00041 -0.00034 -0.00011 105 2PX 0.00097 0.00319 -0.00142 0.00302 0.00055 106 2PY -0.00126 -0.00002 -0.00056 -0.00109 0.00046 107 2PZ -0.00060 -0.00255 0.00099 -0.00228 -0.00052 108 3S 0.00159 -0.00306 0.00029 -0.00172 -0.00055 109 3PX 0.00070 0.00203 -0.00087 0.00155 0.00013 110 3PY -0.00134 -0.00063 0.00000 -0.00055 0.00041 111 3PZ -0.00045 -0.00256 0.00032 -0.00176 -0.00045 112 4XX -0.00003 -0.00003 -0.00001 -0.00002 -0.00004 113 4YY 0.00000 -0.00004 0.00001 -0.00003 -0.00001 114 4ZZ 0.00000 0.00012 -0.00007 0.00008 0.00007 115 4XY -0.00013 0.00002 0.00010 -0.00023 -0.00004 116 4XZ -0.00001 0.00009 -0.00005 -0.00002 0.00000 117 4YZ 0.00009 0.00009 -0.00009 0.00015 0.00003 118 14 O 1S -0.00013 -0.00024 0.00001 -0.00001 -0.00001 119 2S 0.00025 0.00047 -0.00007 -0.00013 -0.00003 120 2PX -0.00074 -0.00252 0.00087 -0.00149 -0.00036 121 2PY 0.00051 -0.00016 0.00024 0.00050 0.00001 122 2PZ 0.00126 0.00186 -0.00054 0.00179 0.00037 123 3S 0.00029 0.00151 0.00019 0.00050 0.00001 124 3PX -0.00057 -0.00228 0.00059 -0.00134 -0.00031 125 3PY 0.00046 -0.00020 0.00018 0.00030 -0.00001 126 3PZ 0.00101 0.00155 -0.00056 0.00155 0.00033 127 4XX -0.00002 -0.00012 0.00002 -0.00009 0.00000 128 4YY -0.00002 -0.00004 -0.00003 -0.00004 -0.00001 129 4ZZ -0.00001 0.00003 -0.00002 0.00003 0.00001 130 4XY 0.00005 0.00008 -0.00001 0.00007 0.00001 131 4XZ 0.00001 0.00002 0.00000 0.00001 0.00000 132 4YZ 0.00000 -0.00004 0.00001 0.00002 -0.00002 133 15 C 1S 0.00013 0.00003 -0.00003 0.00016 -0.00007 134 2S -0.00018 0.00009 -0.00003 -0.00059 0.00011 135 2PX 0.00006 -0.00010 0.00012 0.00040 -0.00005 136 2PY -0.00002 -0.00026 -0.00017 0.00029 -0.00002 137 2PZ 0.00037 0.00014 -0.00013 0.00018 0.00016 138 3S -0.00020 -0.00002 0.00016 -0.00113 0.00013 139 3PX -0.00012 0.00010 0.00009 0.00002 -0.00009 140 3PY 0.00008 -0.00009 -0.00006 0.00014 0.00004 141 3PZ 0.00041 0.00051 -0.00026 0.00024 0.00028 142 4XX 0.00002 0.00004 -0.00004 0.00007 0.00002 143 4YY 0.00002 0.00002 0.00003 -0.00003 0.00000 144 4ZZ -0.00004 -0.00008 0.00001 0.00000 -0.00001 145 4XY -0.00002 -0.00010 0.00001 -0.00004 -0.00001 146 4XZ 0.00002 0.00001 -0.00002 0.00002 0.00000 147 4YZ 0.00002 0.00009 0.00000 0.00009 0.00001 148 16 C 1S 0.00012 -0.00031 -0.00016 0.00082 0.00007 149 2S -0.00134 -0.00051 0.00064 -0.00233 -0.00042 150 2PX 0.00229 0.00005 -0.00256 0.00541 0.00117 151 2PY 0.00230 -0.00012 0.00041 0.00262 -0.00042 152 2PZ -0.00079 -0.00138 0.00185 -0.00200 -0.00099 153 3S -0.00364 -0.00023 0.00142 -0.00285 0.00038 154 3PX 0.00184 -0.00015 -0.00135 0.00369 0.00132 155 3PY -0.00001 0.00089 0.00003 0.00203 0.00012 156 3PZ -0.00113 -0.00026 0.00168 -0.00204 0.00000 157 4XX 0.00003 0.00011 -0.00002 0.00022 -0.00008 158 4YY 0.00015 -0.00007 0.00001 -0.00004 0.00001 159 4ZZ -0.00003 0.00003 -0.00004 -0.00003 0.00010 160 4XY 0.00013 0.00018 -0.00002 0.00006 -0.00001 161 4XZ -0.00003 -0.00010 -0.00009 -0.00003 0.00000 162 4YZ -0.00015 -0.00011 0.00003 -0.00023 -0.00001 163 17 H 1S 0.00009 0.00020 -0.00012 0.00031 0.00004 164 2S 0.00042 0.00041 -0.00035 0.00087 0.00012 165 18 H 1S -0.00012 -0.00023 0.00000 -0.00017 -0.00002 166 2S -0.00042 -0.00084 0.00028 -0.00005 -0.00029 167 19 O 1S 0.00017 0.00016 0.00005 -0.00011 0.00000 168 2S -0.00051 -0.00055 -0.00017 0.00025 0.00013 169 2PX 0.00016 0.00088 0.00094 0.00017 -0.00009 170 2PY 0.00000 0.00000 -0.00031 0.00046 -0.00005 171 2PZ 0.00057 0.00045 0.00014 -0.00175 0.00007 172 3S 0.00011 0.00027 -0.00047 0.00070 -0.00070 173 3PX -0.00020 0.00035 0.00083 -0.00011 0.00009 174 3PY 0.00005 0.00008 -0.00030 0.00019 -0.00017 175 3PZ 0.00055 0.00015 -0.00014 -0.00076 0.00036 176 4XX -0.00011 -0.00007 0.00008 -0.00020 0.00001 177 4YY 0.00002 -0.00005 -0.00002 0.00001 0.00004 178 4ZZ -0.00003 -0.00002 -0.00004 0.00007 0.00006 179 4XY -0.00001 0.00005 0.00003 -0.00002 0.00002 180 4XZ -0.00003 0.00000 -0.00003 -0.00005 0.00000 181 4YZ -0.00004 0.00000 0.00003 -0.00017 0.00002 182 20 H 1S -0.00242 0.00811 -0.00106 -0.00401 -0.00144 183 2S -0.00166 0.00535 -0.00102 -0.00503 -0.00280 184 21 H 1S -0.00100 -0.00013 -0.00010 0.00069 -0.00105 185 2S -0.00203 -0.00038 0.00006 0.00099 -0.00117 186 22 H 1S -0.00023 0.00048 -0.00024 0.00001 0.00028 187 2S -0.00023 0.00102 -0.00025 0.00013 0.00010 188 23 H 1S -0.00130 0.00016 -0.00041 -0.00177 0.00041 189 2S -0.00061 0.00053 -0.00025 -0.00071 0.00067 76 77 78 79 80 76 6 C 1S 2.05271 77 2S -0.06213 0.32496 78 2PX 0.00133 0.00226 0.36897 79 2PY 0.00053 0.00162 0.00011 0.41335 80 2PZ -0.00083 0.00777 0.03333 -0.00266 0.39022 81 3S -0.16067 0.24765 -0.01951 0.01123 -0.02947 82 3PX 0.00664 -0.02276 0.18139 0.01273 -0.07523 83 3PY 0.00378 -0.01621 0.01321 0.13842 -0.02578 84 3PZ 0.00494 -0.01459 -0.05968 -0.00572 0.16792 85 4XX -0.01431 -0.00947 0.00800 -0.00593 -0.00344 86 4YY -0.01700 -0.00308 -0.00427 0.01307 -0.00039 87 4ZZ -0.01612 -0.00535 -0.00689 -0.01026 -0.00257 88 4XY -0.00088 0.00123 -0.00498 0.00025 -0.01075 89 4XZ -0.00455 0.00944 -0.00068 -0.00920 -0.00219 90 4YZ -0.00203 0.00342 -0.00949 -0.00195 -0.01031 91 7 H 1S 0.01228 -0.02562 0.01875 -0.04295 0.01318 92 2S 0.01464 -0.02568 0.03388 -0.08634 0.03936 93 8 H 1S -0.00849 0.01865 0.00146 0.03521 0.00130 94 2S -0.01195 0.02528 0.01056 0.06878 0.00305 95 9 H 1S -0.00059 0.00017 0.00193 0.00229 -0.00060 96 2S -0.00092 -0.00024 0.00532 0.00698 -0.00760 97 10 H 1S -0.00759 0.01927 0.00233 -0.01533 0.03244 98 2S -0.01116 0.02904 -0.00205 -0.02105 0.07096 99 11 H 1S 0.01211 -0.02454 -0.02454 0.03576 -0.01200 100 2S 0.01361 -0.02472 -0.04780 0.07143 -0.01045 101 12 H 1S -0.06016 0.11224 -0.13267 -0.13074 -0.18748 102 2S -0.01303 0.02496 -0.12153 -0.11783 -0.18086 103 13 C 1S -0.00069 0.00137 0.01089 0.00262 -0.00738 104 2S 0.00058 -0.00173 -0.02272 -0.00401 0.01701 105 2PX -0.00297 0.00820 0.07780 0.01576 -0.05629 106 2PY -0.00009 -0.00136 -0.01162 -0.00430 0.01176 107 2PZ 0.00128 -0.00391 -0.05906 -0.01022 0.04328 108 3S 0.00390 -0.00677 -0.05255 -0.01291 0.03694 109 3PX -0.00129 0.00638 0.05985 0.01205 -0.04004 110 3PY -0.00151 0.00182 -0.02886 -0.00197 0.02420 111 3PZ 0.00188 -0.00093 -0.04678 -0.01428 0.04463 112 4XX -0.00022 0.00029 0.00077 0.00019 0.00000 113 4YY -0.00006 0.00020 -0.00040 0.00036 0.00041 114 4ZZ -0.00029 0.00039 0.00168 0.00028 -0.00081 115 4XY 0.00007 -0.00073 -0.00112 -0.00003 -0.00003 116 4XZ -0.00015 0.00017 0.00113 0.00034 -0.00070 117 4YZ -0.00021 0.00063 0.00166 0.00047 -0.00061 118 14 O 1S 0.00003 0.00038 -0.00239 -0.00041 0.00198 119 2S 0.00010 -0.00105 0.00425 0.00032 -0.00298 120 2PX 0.00146 -0.00392 -0.04302 -0.00710 0.03015 121 2PY 0.00082 0.00067 0.00103 -0.00082 -0.00200 122 2PZ -0.00083 0.00297 0.03259 0.00411 -0.02205 123 3S -0.00062 -0.00216 0.01711 0.00387 -0.01806 124 3PX 0.00134 -0.00261 -0.03878 -0.00824 0.03032 125 3PY 0.00076 0.00013 0.00031 -0.00031 -0.00157 126 3PZ -0.00103 0.00346 0.03012 0.00421 -0.01983 127 4XX 0.00009 -0.00010 -0.00275 -0.00069 0.00236 128 4YY 0.00004 0.00005 -0.00045 -0.00012 0.00073 129 4ZZ 0.00015 -0.00011 0.00128 -0.00009 -0.00096 130 4XY -0.00003 0.00009 0.00141 0.00026 -0.00123 131 4XZ 0.00002 -0.00004 0.00042 0.00002 -0.00035 132 4YZ -0.00002 0.00009 -0.00003 0.00013 0.00002 133 15 C 1S -0.00034 0.00050 0.00186 -0.00057 -0.00048 134 2S 0.00067 -0.00179 -0.00524 0.00022 0.00168 135 2PX -0.00090 0.00227 0.00497 -0.00063 -0.00143 136 2PY -0.00109 0.00156 0.00104 -0.00156 0.00200 137 2PZ 0.00032 0.00002 0.00697 0.00135 -0.00802 138 3S 0.00165 -0.00332 -0.01102 0.00436 0.00234 139 3PX 0.00030 -0.00055 0.00236 -0.00139 -0.00356 140 3PY -0.00028 0.00057 0.00142 -0.00024 -0.00167 141 3PZ -0.00027 0.00123 0.01152 0.00191 -0.00961 142 4XX -0.00023 0.00067 0.00161 -0.00012 -0.00048 143 4YY 0.00009 -0.00031 -0.00023 0.00001 0.00004 144 4ZZ 0.00007 -0.00029 -0.00126 -0.00012 0.00031 145 4XY -0.00002 0.00031 -0.00120 -0.00028 0.00135 146 4XZ -0.00003 0.00015 0.00061 0.00025 -0.00047 147 4YZ 0.00011 -0.00011 0.00132 0.00029 -0.00148 148 16 C 1S -0.00178 0.00269 0.00919 0.00007 -0.00379 149 2S 0.00265 -0.00452 -0.02100 0.00007 0.01060 150 2PX -0.00503 0.01912 0.03137 0.00231 -0.00562 151 2PY -0.00170 0.00504 0.01827 0.00155 -0.01159 152 2PZ 0.00224 -0.00609 -0.00582 -0.00213 -0.00874 153 3S 0.00362 -0.01131 -0.05395 0.00009 0.02764 154 3PX -0.00660 0.01009 0.00585 0.00333 0.00107 155 3PY -0.00256 0.00680 0.01974 -0.00114 -0.01112 156 3PZ 0.00154 -0.01149 -0.02471 -0.00222 -0.00968 157 4XX -0.00079 0.00083 0.00598 0.00039 -0.00412 158 4YY -0.00013 -0.00023 -0.00212 0.00021 0.00109 159 4ZZ -0.00029 0.00012 -0.00135 0.00021 0.00082 160 4XY 0.00016 -0.00026 0.00433 0.00101 -0.00386 161 4XZ -0.00048 0.00093 -0.00196 -0.00047 0.00187 162 4YZ 0.00029 -0.00044 -0.00517 -0.00091 0.00430 163 17 H 1S -0.00094 0.00273 0.00763 0.00022 -0.00253 164 2S -0.00200 0.00547 0.01682 0.00112 -0.00554 165 18 H 1S 0.00063 -0.00138 -0.00488 -0.00007 0.00086 166 2S 0.00066 -0.00226 -0.01326 -0.00431 0.00874 167 19 O 1S 0.00025 -0.00139 -0.00322 0.00047 0.00087 168 2S -0.00129 0.00317 0.00263 -0.00153 0.00027 169 2PX 0.00317 -0.01246 -0.00852 0.00184 -0.00689 170 2PY 0.00082 0.00223 0.00006 0.00070 -0.00067 171 2PZ -0.00062 0.00105 0.00173 0.00194 0.00446 172 3S 0.00114 0.00790 0.03874 -0.00181 -0.01430 173 3PX 0.00189 -0.01050 -0.01370 0.00021 -0.00372 174 3PY 0.00093 0.00179 0.00430 0.00012 -0.00182 175 3PZ -0.00173 0.00208 -0.00205 0.00177 0.00526 176 4XX -0.00008 -0.00055 -0.00230 -0.00019 0.00099 177 4YY -0.00033 -0.00005 -0.00142 -0.00003 0.00070 178 4ZZ -0.00035 0.00000 -0.00131 -0.00040 0.00115 179 4XY 0.00003 -0.00064 -0.00059 0.00017 -0.00032 180 4XZ 0.00017 0.00006 0.00018 -0.00001 0.00009 181 4YZ -0.00007 -0.00021 -0.00132 -0.00016 0.00089 182 20 H 1S 0.00157 -0.00346 0.02933 0.00309 -0.02865 183 2S 0.00141 -0.00404 0.02931 -0.00014 -0.02535 184 21 H 1S -0.00137 0.00184 -0.00285 -0.00018 0.00657 185 2S -0.00228 0.00336 -0.01502 -0.00379 0.01956 186 22 H 1S 0.00040 -0.00107 0.00591 -0.00079 -0.00432 187 2S 0.00059 -0.00059 0.02535 -0.00062 -0.01693 188 23 H 1S 0.00083 -0.00296 -0.02682 -0.00212 0.02058 189 2S 0.00005 -0.00132 -0.01967 -0.00411 0.00494 81 82 83 84 85 81 3S 0.25008 82 3PX -0.00530 0.11998 83 3PY 0.00772 0.02130 0.06236 84 3PZ -0.01273 -0.06577 -0.01395 0.09329 85 4XX -0.00562 0.00526 0.00006 -0.00248 0.00092 86 4YY -0.00311 -0.00157 0.00297 0.00079 -0.00023 87 4ZZ -0.00246 -0.00264 -0.00301 0.00047 0.00022 88 4XY 0.00261 0.00016 -0.00037 -0.00330 -0.00019 89 4XZ 0.00814 -0.00041 -0.00261 -0.00111 -0.00007 90 4YZ 0.00706 -0.00159 0.00073 -0.00212 0.00003 91 7 H 1S -0.06039 -0.00249 -0.01989 -0.00279 0.00081 92 2S -0.06761 -0.00573 -0.03824 0.00226 0.00160 93 8 H 1S 0.05609 0.00089 0.03258 -0.00069 -0.00029 94 2S 0.06423 0.00666 0.04800 -0.00210 -0.00007 95 9 H 1S 0.01949 0.00704 0.01407 0.00038 0.00055 96 2S 0.02802 0.01616 0.02154 -0.00396 0.00080 97 10 H 1S 0.01769 -0.00668 -0.02873 0.01867 -0.00089 98 2S 0.02302 -0.01669 -0.03782 0.03879 -0.00252 99 11 H 1S -0.06200 -0.01712 0.00229 -0.00667 -0.00145 100 2S -0.05922 -0.02896 0.00593 -0.00120 -0.00308 101 12 H 1S 0.11509 -0.03242 -0.03911 -0.05972 -0.00192 102 2S 0.05423 -0.01789 -0.02557 -0.05144 0.00069 103 13 C 1S 0.00207 0.00807 0.00240 -0.00513 -0.00017 104 2S 0.00405 -0.01432 -0.00315 0.01321 0.00011 105 2PX 0.03490 0.07598 0.02113 -0.03844 -0.00104 106 2PY -0.00095 -0.01105 0.00159 0.01328 0.00105 107 2PZ -0.02182 -0.05767 -0.01044 0.03310 0.00011 108 3S -0.01672 -0.04058 -0.01632 0.02603 0.00024 109 3PX 0.01873 0.05287 0.01492 -0.03147 0.00003 110 3PY 0.00030 -0.02554 0.00055 0.01794 0.00019 111 3PZ -0.02369 -0.04984 -0.01446 0.02776 -0.00002 112 4XX -0.00099 -0.00035 -0.00038 0.00045 -0.00005 113 4YY -0.00034 -0.00066 0.00015 -0.00027 0.00002 114 4ZZ 0.00145 0.00194 0.00056 -0.00077 -0.00002 115 4XY 0.00062 -0.00072 0.00100 0.00075 0.00027 116 4XZ 0.00230 0.00173 0.00120 0.00001 0.00005 117 4YZ 0.00015 0.00124 -0.00023 -0.00098 -0.00026 118 14 O 1S -0.00543 -0.00314 -0.00232 0.00044 0.00000 119 2S 0.01365 0.00674 0.00621 0.00084 0.00009 120 2PX -0.02271 -0.04386 -0.01548 0.02318 0.00031 121 2PY -0.01673 -0.00767 -0.00396 -0.01234 0.00001 122 2PZ 0.01044 0.03157 0.00332 -0.02613 -0.00068 123 3S 0.01897 0.01955 0.00641 -0.00832 -0.00044 124 3PX -0.01852 -0.03920 -0.01307 0.02231 0.00021 125 3PY -0.01304 -0.00583 -0.00226 -0.00876 0.00012 126 3PZ 0.01211 0.02957 0.00470 -0.02175 -0.00053 127 4XX -0.00048 -0.00241 -0.00063 0.00160 0.00002 128 4YY 0.00033 -0.00017 0.00018 0.00089 0.00002 129 4ZZ -0.00012 0.00105 0.00029 -0.00081 0.00007 130 4XY 0.00098 0.00170 0.00061 -0.00083 -0.00003 131 4XZ 0.00059 0.00058 0.00016 -0.00001 0.00001 132 4YZ 0.00005 -0.00005 -0.00005 0.00032 -0.00003 133 15 C 1S 0.00279 0.00243 -0.00033 -0.00011 -0.00014 134 2S -0.00557 -0.00495 0.00172 0.00178 0.00027 135 2PX 0.01185 0.00675 -0.00378 -0.00028 -0.00038 136 2PY 0.00972 0.00404 -0.00215 0.00347 -0.00024 137 2PZ -0.00517 0.00460 0.00089 -0.00843 -0.00017 138 3S -0.00761 -0.00954 0.00351 0.00352 0.00052 139 3PX 0.00088 0.00233 -0.00134 -0.00239 0.00000 140 3PY -0.00171 0.00068 -0.00043 -0.00243 0.00004 141 3PZ 0.00308 0.01175 0.00035 -0.00791 -0.00057 142 4XX 0.00205 0.00194 -0.00033 -0.00015 -0.00011 143 4YY 0.00078 0.00019 -0.00022 0.00015 0.00000 144 4ZZ -0.00281 -0.00202 0.00042 -0.00013 0.00010 145 4XY -0.00118 -0.00160 -0.00109 0.00084 -0.00006 146 4XZ -0.00047 0.00030 0.00028 -0.00039 -0.00001 147 4YZ -0.00189 0.00040 0.00074 -0.00206 0.00009 148 16 C 1S 0.00660 0.00950 -0.00149 -0.00354 -0.00071 149 2S -0.01526 -0.02240 0.00030 0.00661 0.00088 150 2PX -0.01134 0.02165 -0.01372 -0.02091 -0.00527 151 2PY 0.00914 0.01859 -0.00229 -0.01558 -0.00107 152 2PZ -0.00463 -0.01002 0.00721 0.00057 0.00439 153 3S -0.00266 -0.04284 0.01054 0.02490 0.00169 154 3PX -0.00190 0.00789 -0.00921 -0.00564 -0.00394 155 3PY 0.00725 0.01495 -0.00064 -0.01187 -0.00085 156 3PZ 0.00412 -0.01272 0.00996 0.00643 0.00308 157 4XX -0.00147 0.00315 0.00123 -0.00385 0.00026 158 4YY 0.00113 -0.00074 -0.00027 0.00119 -0.00010 159 4ZZ 0.00123 -0.00018 -0.00052 0.00131 -0.00016 160 4XY 0.00143 0.00423 0.00158 -0.00243 0.00005 161 4XZ -0.00108 -0.00206 -0.00124 0.00098 -0.00017 162 4YZ -0.00187 -0.00491 -0.00049 0.00297 -0.00001 163 17 H 1S 0.01089 0.00929 -0.00200 -0.00085 -0.00050 164 2S 0.01796 0.01860 -0.00258 -0.00354 -0.00101 165 18 H 1S -0.01206 -0.00794 0.00186 -0.00143 0.00039 166 2S -0.01737 -0.01862 0.00056 0.00370 0.00096 167 19 O 1S 0.00079 -0.00142 0.00426 0.00192 0.00007 168 2S -0.00745 -0.00210 -0.00988 -0.00330 -0.00017 169 2PX -0.01266 -0.00816 0.01627 -0.00863 0.00235 170 2PY -0.03844 -0.01578 0.00470 -0.01122 0.00047 171 2PZ 0.04570 0.02053 -0.00925 0.01853 -0.00184 172 3S 0.00169 0.02453 -0.01276 -0.01834 -0.00011 173 3PX -0.01066 -0.01122 0.01247 -0.00387 0.00200 174 3PY -0.02535 -0.00766 0.00281 -0.00921 0.00036 175 3PZ 0.03136 0.01284 -0.00864 0.01389 -0.00202 176 4XX 0.00069 -0.00147 0.00013 0.00156 0.00013 177 4YY -0.00216 -0.00173 0.00044 0.00007 0.00000 178 4ZZ -0.00044 -0.00103 -0.00032 0.00067 -0.00012 179 4XY 0.00004 -0.00020 0.00066 -0.00002 0.00009 180 4XZ -0.00101 -0.00032 -0.00012 -0.00034 -0.00002 181 4YZ 0.00163 -0.00030 -0.00037 0.00151 -0.00002 182 20 H 1S -0.01229 0.01935 0.00435 -0.03018 0.00081 183 2S -0.01121 0.01789 0.00455 -0.02564 0.00164 184 21 H 1S 0.02056 0.00050 -0.00488 0.01533 -0.00054 185 2S 0.01847 -0.01193 -0.00768 0.02317 -0.00055 186 22 H 1S 0.00813 0.00939 0.00345 -0.00179 0.00094 187 2S 0.00617 0.02183 0.00527 -0.01227 0.00117 188 23 H 1S -0.00649 -0.02163 -0.00339 0.01689 -0.00102 189 2S -0.00201 -0.01156 -0.00512 0.00920 -0.00139 86 87 88 89 90 86 4YY 0.00114 87 4ZZ -0.00019 0.00089 88 4XY 0.00000 0.00032 0.00095 89 4XZ -0.00048 0.00026 0.00017 0.00067 90 4YZ -0.00014 0.00011 0.00042 0.00028 0.00117 91 7 H 1S 0.00186 0.00079 -0.00512 -0.00002 -0.00716 92 2S -0.00151 0.00192 -0.00529 0.00048 -0.00783 93 8 H 1S -0.00127 -0.00082 -0.00167 -0.00028 -0.00090 94 2S -0.00118 -0.00192 -0.00249 -0.00048 -0.00055 95 9 H 1S 0.00013 -0.00008 0.00000 0.00035 0.00131 96 2S 0.00006 -0.00013 -0.00028 0.00060 0.00304 97 10 H 1S 0.00033 -0.00156 -0.00015 -0.00073 -0.00083 98 2S 0.00077 -0.00124 -0.00045 -0.00081 -0.00265 99 11 H 1S 0.00806 -0.00273 -0.00411 -0.00313 -0.00349 100 2S 0.00889 -0.00329 -0.00215 -0.00474 -0.00262 101 12 H 1S -0.00407 0.00550 0.00785 0.00828 0.01087 102 2S -0.00362 0.00647 0.00774 0.00608 0.01062 103 13 C 1S -0.00007 -0.00009 0.00015 0.00014 -0.00012 104 2S 0.00011 0.00012 -0.00040 -0.00022 0.00031 105 2PX 0.00086 0.00078 0.00033 0.00094 -0.00042 106 2PY -0.00089 -0.00044 -0.00083 0.00027 0.00109 107 2PZ -0.00024 -0.00055 0.00062 -0.00048 -0.00030 108 3S 0.00068 -0.00088 -0.00199 -0.00100 0.00083 109 3PX 0.00029 0.00002 -0.00069 0.00051 0.00006 110 3PY -0.00078 0.00009 -0.00034 0.00015 0.00064 111 3PZ -0.00031 -0.00039 -0.00057 -0.00056 -0.00063 112 4XX 0.00003 -0.00002 0.00023 0.00002 -0.00018 113 4YY 0.00000 -0.00001 -0.00009 -0.00003 0.00004 114 4ZZ -0.00001 0.00004 -0.00008 0.00004 0.00003 115 4XY -0.00012 -0.00015 -0.00017 0.00000 0.00028 116 4XZ -0.00001 -0.00003 -0.00010 0.00003 0.00011 117 4YZ 0.00010 0.00014 0.00022 -0.00001 -0.00028 118 14 O 1S -0.00004 0.00000 -0.00015 -0.00004 0.00002 119 2S 0.00004 -0.00011 0.00016 0.00009 0.00007 120 2PX -0.00041 -0.00058 0.00003 -0.00051 -0.00033 121 2PY 0.00024 0.00028 0.00001 -0.00026 -0.00006 122 2PZ 0.00034 0.00066 -0.00025 0.00007 -0.00020 123 3S 0.00028 0.00054 0.00178 0.00022 -0.00067 124 3PX -0.00031 -0.00046 -0.00025 -0.00043 -0.00026 125 3PY 0.00018 0.00004 -0.00020 -0.00024 0.00007 126 3PZ 0.00030 0.00051 -0.00043 0.00015 -0.00008 127 4XX -0.00002 -0.00001 -0.00007 -0.00002 0.00004 128 4YY -0.00002 -0.00004 -0.00007 0.00000 0.00003 129 4ZZ -0.00002 -0.00003 -0.00009 0.00001 0.00008 130 4XY 0.00003 0.00003 0.00002 0.00002 0.00001 131 4XZ 0.00000 0.00000 0.00001 0.00001 0.00001 132 4YZ 0.00002 0.00000 0.00006 0.00000 -0.00005 133 15 C 1S -0.00001 -0.00005 0.00008 0.00009 -0.00010 134 2S -0.00017 0.00000 -0.00016 -0.00011 0.00026 135 2PX 0.00030 0.00020 0.00013 0.00023 -0.00037 136 2PY -0.00004 -0.00020 -0.00006 0.00024 -0.00019 137 2PZ 0.00010 0.00011 0.00029 0.00014 -0.00024 138 3S -0.00031 -0.00026 -0.00027 -0.00021 0.00048 139 3PX -0.00001 0.00012 0.00013 0.00011 -0.00014 140 3PY 0.00003 -0.00003 -0.00009 0.00008 0.00011 141 3PZ 0.00029 0.00067 0.00046 0.00021 -0.00057 142 4XX 0.00009 0.00013 0.00005 0.00004 -0.00009 143 4YY -0.00002 0.00000 -0.00001 -0.00002 -0.00002 144 4ZZ -0.00006 -0.00011 -0.00004 -0.00001 0.00009 145 4XY 0.00004 0.00008 0.00006 -0.00002 -0.00010 146 4XZ 0.00002 0.00001 0.00002 0.00000 -0.00001 147 4YZ -0.00003 -0.00004 -0.00007 -0.00001 0.00012 148 16 C 1S 0.00004 -0.00029 0.00017 0.00039 -0.00066 149 2S -0.00016 0.00024 -0.00053 -0.00088 0.00094 150 2PX 0.00263 0.00290 0.00297 0.00048 -0.00435 151 2PY 0.00085 0.00015 0.00044 0.00018 -0.00114 152 2PZ -0.00130 -0.00243 -0.00268 0.00039 0.00363 153 3S -0.00170 0.00040 -0.00083 -0.00036 0.00243 154 3PX 0.00184 0.00224 0.00266 0.00043 -0.00313 155 3PY -0.00011 0.00089 0.00134 0.00057 -0.00123 156 3PZ -0.00116 -0.00129 -0.00150 0.00028 0.00358 157 4XX -0.00010 -0.00022 -0.00008 0.00007 0.00014 158 4YY 0.00008 0.00001 0.00001 -0.00004 -0.00004 159 4ZZ 0.00007 0.00017 0.00011 0.00001 -0.00009 160 4XY 0.00004 -0.00002 -0.00003 0.00000 0.00001 161 4XZ 0.00010 0.00012 0.00007 -0.00003 -0.00009 162 4YZ -0.00007 0.00000 0.00001 -0.00008 0.00002 163 17 H 1S 0.00037 0.00047 0.00021 0.00017 -0.00044 164 2S 0.00070 0.00082 0.00047 0.00027 -0.00086 165 18 H 1S -0.00023 -0.00041 -0.00014 -0.00006 0.00038 166 2S -0.00051 -0.00114 -0.00053 -0.00017 0.00089 167 19 O 1S -0.00006 -0.00013 0.00001 -0.00007 0.00018 168 2S 0.00022 0.00056 0.00003 0.00008 -0.00030 169 2PX -0.00167 -0.00253 -0.00170 -0.00035 0.00253 170 2PY 0.00014 0.00020 -0.00006 -0.00047 0.00051 171 2PZ 0.00100 0.00209 0.00139 0.00009 -0.00235 172 3S 0.00019 0.00009 -0.00011 0.00016 -0.00123 173 3PX -0.00128 -0.00180 -0.00141 -0.00017 0.00239 174 3PY 0.00012 0.00005 -0.00014 -0.00034 0.00031 175 3PZ 0.00108 0.00199 0.00138 0.00012 -0.00209 176 4XX -0.00005 -0.00002 -0.00009 0.00000 0.00014 177 4YY 0.00002 0.00003 0.00000 -0.00002 0.00005 178 4ZZ 0.00001 0.00007 0.00009 0.00001 -0.00008 179 4XY -0.00007 -0.00009 -0.00006 0.00000 0.00010 180 4XZ 0.00001 0.00003 0.00001 -0.00002 -0.00002 181 4YZ 0.00000 0.00006 0.00002 0.00001 -0.00002 182 20 H 1S -0.00014 -0.00072 -0.00062 -0.00133 0.00077 183 2S -0.00013 -0.00169 -0.00141 -0.00151 0.00146 184 21 H 1S -0.00031 0.00069 0.00159 0.00023 -0.00150 185 2S -0.00064 0.00071 0.00181 0.00036 -0.00143 186 22 H 1S -0.00043 -0.00017 -0.00129 0.00016 0.00121 187 2S -0.00052 -0.00024 -0.00125 0.00024 0.00070 188 23 H 1S 0.00002 0.00110 0.00076 -0.00068 -0.00057 189 2S 0.00026 0.00140 0.00166 -0.00025 -0.00089 91 92 93 94 95 91 7 H 1S 0.21693 92 2S 0.17899 0.17164 93 8 H 1S -0.02289 -0.02724 0.21714 94 2S -0.02758 -0.03410 0.17586 0.16496 95 9 H 1S -0.00882 -0.02287 -0.01340 -0.00728 0.21593 96 2S -0.02135 -0.03821 -0.01059 -0.00005 0.16994 97 10 H 1S 0.00342 0.01033 -0.00724 -0.01829 -0.02780 98 2S 0.00712 0.01814 -0.01153 -0.02512 -0.03452 99 11 H 1S -0.00941 -0.01833 0.00159 -0.00152 -0.00724 100 2S -0.02008 -0.02682 -0.00152 -0.00431 -0.01829 101 12 H 1S -0.02222 -0.02568 -0.00941 -0.02008 0.00342 102 2S -0.02568 -0.03291 -0.01833 -0.02682 0.01033 103 13 C 1S -0.00015 -0.00151 0.00408 0.00292 0.00211 104 2S -0.00040 0.00010 -0.00634 -0.00297 -0.00547 105 2PX -0.00505 -0.01516 0.01726 0.02258 0.01757 106 2PY 0.00069 0.00607 -0.01446 -0.01732 -0.00282 107 2PZ 0.00682 0.00957 -0.00486 -0.01181 -0.01902 108 3S 0.00376 0.00975 -0.02949 -0.02847 -0.00477 109 3PX -0.00141 -0.00671 0.01402 0.01788 0.02014 110 3PY -0.00193 0.00048 0.00486 0.00478 -0.00649 111 3PZ 0.01246 0.01872 -0.00815 -0.01338 -0.01303 112 4XX 0.00035 0.00029 0.00033 -0.00067 -0.00031 113 4YY -0.00008 -0.00018 0.00113 0.00161 0.00002 114 4ZZ 0.00003 0.00021 -0.00055 -0.00050 0.00078 115 4XY 0.00004 -0.00046 -0.00137 -0.00017 0.00019 116 4XZ 0.00002 -0.00056 -0.00012 0.00046 -0.00020 117 4YZ 0.00023 0.00024 0.00127 0.00062 -0.00044 118 14 O 1S 0.00019 0.00148 0.00030 -0.00252 0.00248 119 2S 0.00028 -0.00270 -0.00116 0.00539 -0.00571 120 2PX 0.00315 0.00741 0.00314 -0.00053 0.00293 121 2PY 0.00017 0.00120 -0.00246 0.00904 -0.00146 122 2PZ -0.00405 -0.00151 -0.00083 -0.00038 -0.00480 123 3S -0.00398 -0.00955 0.00162 0.01044 -0.01333 124 3PX 0.00455 0.00836 0.00071 -0.00212 -0.00015 125 3PY 0.00079 0.00169 -0.00217 0.00531 0.00175 126 3PZ -0.00269 -0.00184 0.00107 0.00268 -0.00079 127 4XX 0.00028 0.00063 -0.00078 -0.00088 -0.00054 128 4YY 0.00012 0.00018 0.00045 -0.00030 -0.00055 129 4ZZ 0.00003 -0.00002 -0.00011 0.00018 0.00098 130 4XY -0.00020 -0.00051 -0.00008 0.00009 -0.00014 131 4XZ -0.00012 -0.00021 -0.00013 0.00014 -0.00117 132 4YZ -0.00002 -0.00026 0.00054 0.00048 0.00064 133 15 C 1S 0.00003 -0.00020 0.00003 0.00032 0.00189 134 2S 0.00031 0.00145 -0.00057 -0.00251 -0.00551 135 2PX -0.00016 -0.00178 -0.00048 0.00236 0.00398 136 2PY 0.00010 0.00108 0.00079 -0.00311 -0.00120 137 2PZ 0.00118 0.00026 0.00234 0.00527 -0.00843 138 3S 0.00015 0.00175 -0.00148 -0.00319 -0.00814 139 3PX 0.00114 0.00061 -0.00031 0.00078 -0.00444 140 3PY -0.00068 -0.00008 -0.00086 -0.00099 0.00432 141 3PZ 0.00049 0.00033 0.00146 0.00220 -0.00992 142 4XX -0.00009 -0.00015 -0.00016 -0.00032 0.00060 143 4YY -0.00008 -0.00005 0.00008 0.00021 0.00010 144 4ZZ 0.00028 0.00025 0.00006 0.00022 -0.00050 145 4XY 0.00019 0.00050 0.00003 -0.00011 -0.00027 146 4XZ -0.00003 -0.00001 0.00021 0.00000 -0.00039 147 4YZ -0.00017 -0.00019 -0.00029 0.00036 0.00016 148 16 C 1S -0.00005 0.00058 -0.00154 -0.00261 0.00009 149 2S -0.00019 -0.00103 0.00206 0.00376 0.00017 150 2PX 0.00044 0.00607 0.00479 -0.00464 -0.00264 151 2PY -0.00075 -0.00444 0.00970 0.01643 -0.00031 152 2PZ -0.00028 -0.00384 -0.00401 0.00638 0.00232 153 3S -0.00200 -0.00662 0.02037 0.02623 0.00045 154 3PX -0.00181 0.00104 0.00386 -0.00368 -0.00973 155 3PY -0.00061 -0.00090 0.01137 0.01246 -0.00532 156 3PZ -0.00424 -0.00986 -0.00076 0.00671 0.00139 157 4XX -0.00016 -0.00018 -0.00022 0.00028 0.00007 158 4YY -0.00019 -0.00042 0.00017 0.00015 -0.00030 159 4ZZ -0.00006 0.00012 -0.00023 -0.00083 0.00031 160 4XY -0.00041 -0.00102 0.00116 0.00147 0.00088 161 4XZ 0.00004 0.00048 -0.00024 -0.00089 -0.00045 162 4YZ 0.00040 0.00077 -0.00057 -0.00104 -0.00090 163 17 H 1S -0.00069 -0.00122 -0.00050 -0.00051 0.00266 164 2S -0.00180 -0.00266 0.00054 0.00036 0.00703 165 18 H 1S 0.00108 0.00093 0.00045 0.00163 -0.00402 166 2S 0.00129 0.00051 0.00001 0.00218 0.00596 167 19 O 1S -0.00010 -0.00077 0.00027 0.00064 -0.00029 168 2S 0.00005 0.00190 -0.00065 -0.00182 0.00059 169 2PX -0.00034 -0.00462 -0.00043 0.00851 -0.00035 170 2PY 0.00008 0.00423 -0.00414 -0.00308 -0.00238 171 2PZ -0.00141 -0.00298 0.00615 0.00135 0.00407 172 3S 0.00234 0.00493 -0.00284 -0.00272 0.00245 173 3PX -0.00114 -0.00489 0.00000 0.00714 0.00061 174 3PY 0.00026 0.00317 -0.00403 -0.00308 -0.00185 175 3PZ -0.00126 -0.00198 0.00529 0.00040 0.00296 176 4XX -0.00010 -0.00028 -0.00014 0.00008 0.00050 177 4YY -0.00015 0.00000 0.00004 -0.00003 -0.00015 178 4ZZ 0.00007 0.00022 0.00006 -0.00024 -0.00026 179 4XY -0.00012 -0.00030 -0.00017 0.00002 0.00004 180 4XZ 0.00005 0.00015 0.00000 -0.00006 -0.00001 181 4YZ 0.00001 0.00001 -0.00008 -0.00028 -0.00004 182 20 H 1S -0.00063 -0.00022 -0.00529 -0.01306 0.01700 183 2S -0.00020 -0.00043 -0.01225 -0.01808 0.03046 184 21 H 1S -0.00034 -0.00360 -0.00897 -0.00496 -0.02500 185 2S -0.00120 -0.00328 -0.00566 -0.00227 -0.05205 186 22 H 1S -0.00193 -0.00035 -0.00805 -0.00416 0.00507 187 2S 0.00432 0.00495 -0.00435 -0.00116 0.00721 188 23 H 1S 0.00095 0.00362 -0.00202 -0.00894 -0.00256 189 2S -0.00010 0.00234 -0.00284 -0.01063 -0.00697 96 97 98 99 100 96 2S 0.16628 97 10 H 1S -0.03452 0.21593 98 2S -0.04557 0.16993 0.16629 99 11 H 1S -0.01154 -0.01339 -0.01058 0.21714 100 2S -0.02513 -0.00727 -0.00004 0.17586 0.16496 101 12 H 1S 0.00712 -0.00882 -0.02135 -0.02289 -0.02758 102 2S 0.01814 -0.02287 -0.03822 -0.02724 -0.03410 103 13 C 1S 0.00286 0.00009 -0.00157 -0.00154 -0.00261 104 2S -0.00626 0.00017 0.00337 0.00205 0.00376 105 2PX 0.01628 -0.00263 0.00527 0.00479 -0.00464 106 2PY -0.00553 0.00031 -0.00815 -0.00970 -0.01642 107 2PZ -0.03805 0.00231 -0.00188 -0.00401 0.00638 108 3S -0.01425 0.00045 0.00729 0.02037 0.02622 109 3PX 0.02386 -0.00973 -0.00637 0.00386 -0.00368 110 3PY -0.00531 0.00532 -0.00234 -0.01136 -0.01245 111 3PZ -0.02556 0.00139 0.00013 -0.00076 0.00671 112 4XX -0.00458 0.00007 0.00073 -0.00022 0.00028 113 4YY 0.00153 -0.00031 -0.00071 0.00017 0.00015 114 4ZZ 0.00304 0.00031 0.00002 -0.00023 -0.00083 115 4XY 0.00010 -0.00088 -0.00118 -0.00116 -0.00147 116 4XZ 0.00037 -0.00045 -0.00037 -0.00024 -0.00089 117 4YZ 0.00013 0.00090 0.00185 0.00057 0.00104 118 14 O 1S -0.00390 -0.00029 -0.00186 0.00027 0.00064 119 2S 0.00520 0.00059 0.00407 -0.00065 -0.00182 120 2PX -0.03405 -0.00035 0.00767 -0.00042 0.00851 121 2PY 0.03724 0.00238 -0.00836 0.00413 0.00308 122 2PZ 0.06461 0.00407 -0.00690 0.00615 0.00134 123 3S 0.00936 0.00245 0.01129 -0.00284 -0.00272 124 3PX -0.02980 0.00061 0.00768 0.00000 0.00714 125 3PY 0.02632 0.00185 -0.00727 0.00403 0.00308 126 3PZ 0.04874 0.00296 -0.00400 0.00529 0.00040 127 4XX 0.00006 0.00050 0.00018 -0.00014 0.00008 128 4YY -0.00276 -0.00015 0.00006 0.00004 -0.00003 129 4ZZ 0.00098 -0.00026 -0.00050 0.00006 -0.00024 130 4XY 0.00087 -0.00004 -0.00018 0.00017 -0.00002 131 4XZ -0.00114 -0.00001 0.00031 0.00000 -0.00006 132 4YZ -0.00220 0.00004 0.00058 0.00008 0.00028 133 15 C 1S 0.00272 0.00189 0.00272 0.00003 0.00032 134 2S -0.00661 -0.00552 -0.00662 -0.00057 -0.00250 135 2PX 0.00748 0.00399 0.00748 -0.00048 0.00236 136 2PY -0.00477 0.00120 0.00478 -0.00079 0.00310 137 2PZ -0.00090 -0.00844 -0.00091 0.00233 0.00527 138 3S -0.01073 -0.00814 -0.01073 -0.00148 -0.00318 139 3PX -0.00291 -0.00445 -0.00291 -0.00031 0.00077 140 3PY 0.00731 -0.00432 -0.00731 0.00086 0.00099 141 3PZ 0.00070 -0.00993 0.00070 0.00146 0.00219 142 4XX 0.00160 0.00060 0.00160 -0.00016 -0.00032 143 4YY 0.00112 0.00010 0.00113 0.00008 0.00021 144 4ZZ -0.00256 -0.00050 -0.00257 0.00006 0.00022 145 4XY -0.00147 0.00027 0.00147 -0.00003 0.00011 146 4XZ -0.00094 -0.00039 -0.00094 0.00021 0.00000 147 4YZ 0.00313 -0.00016 -0.00313 0.00029 -0.00036 148 16 C 1S -0.00157 0.00211 0.00287 0.00408 0.00291 149 2S 0.00337 -0.00548 -0.00627 -0.00633 -0.00296 150 2PX 0.00526 0.01759 0.01630 0.01726 0.02258 151 2PY 0.00814 0.00282 0.00555 0.01446 0.01731 152 2PZ -0.00187 -0.01903 -0.03807 -0.00486 -0.01181 153 3S 0.00730 -0.00477 -0.01426 -0.02949 -0.02846 154 3PX -0.00637 0.02015 0.02389 0.01402 0.01788 155 3PY 0.00234 0.00650 0.00533 -0.00485 -0.00477 156 3PZ 0.00014 -0.01303 -0.02558 -0.00815 -0.01338 157 4XX 0.00073 -0.00031 -0.00458 0.00033 -0.00067 158 4YY -0.00071 0.00002 0.00154 0.00113 0.00161 159 4ZZ 0.00002 0.00078 0.00305 -0.00055 -0.00050 160 4XY 0.00118 -0.00019 -0.00009 0.00137 0.00017 161 4XZ -0.00037 -0.00020 0.00037 -0.00012 0.00046 162 4YZ -0.00185 0.00044 -0.00013 -0.00127 -0.00062 163 17 H 1S 0.00726 0.00266 0.00727 -0.00049 -0.00051 164 2S 0.01618 0.00704 0.01619 0.00055 0.00036 165 18 H 1S -0.00757 -0.00402 -0.00758 0.00045 0.00163 166 2S -0.00843 0.00596 -0.00844 0.00001 0.00218 167 19 O 1S -0.00186 0.00248 -0.00390 0.00030 -0.00252 168 2S 0.00406 -0.00571 0.00520 -0.00116 0.00539 169 2PX 0.00767 0.00293 -0.03406 0.00313 -0.00053 170 2PY 0.00836 0.00146 -0.03728 0.00246 -0.00903 171 2PZ -0.00690 -0.00480 0.06464 -0.00082 -0.00039 172 3S 0.01129 -0.01335 0.00935 0.00162 0.01044 173 3PX 0.00768 -0.00015 -0.02981 0.00071 -0.00212 174 3PY 0.00727 -0.00175 -0.02635 0.00216 -0.00530 175 3PZ -0.00400 -0.00079 0.04876 0.00107 0.00268 176 4XX 0.00018 -0.00054 0.00006 -0.00078 -0.00088 177 4YY 0.00006 -0.00055 -0.00277 0.00045 -0.00030 178 4ZZ -0.00050 0.00098 0.00098 -0.00011 0.00018 179 4XY 0.00018 0.00014 -0.00087 0.00008 -0.00009 180 4XZ 0.00031 -0.00117 -0.00114 -0.00013 0.00014 181 4YZ -0.00058 -0.00064 0.00220 -0.00054 -0.00048 182 20 H 1S 0.03244 -0.02500 -0.05356 -0.00897 -0.00497 183 2S 0.04129 -0.05205 -0.06142 -0.00567 -0.00228 184 21 H 1S -0.05356 0.01702 0.03246 -0.00529 -0.01306 185 2S -0.06141 0.03049 0.04132 -0.01224 -0.01807 186 22 H 1S 0.01532 -0.00257 -0.00622 -0.00202 -0.00894 187 2S 0.01712 -0.00697 -0.01089 -0.00285 -0.01062 188 23 H 1S -0.00622 0.00507 0.01533 -0.00804 -0.00415 189 2S -0.01088 0.00721 0.01713 -0.00434 -0.00116 101 102 103 104 105 101 12 H 1S 0.21693 102 2S 0.17899 0.17164 103 13 C 1S -0.00005 0.00058 2.05255 104 2S -0.00019 -0.00103 -0.06338 0.33288 105 2PX 0.00044 0.00607 0.01203 -0.01860 0.34620 106 2PY 0.00075 0.00444 0.00506 -0.01302 -0.04015 107 2PZ -0.00028 -0.00384 0.01511 -0.02722 -0.02221 108 3S -0.00200 -0.00661 -0.17203 0.27248 -0.09835 109 3PX -0.00181 0.00104 0.01878 -0.03665 0.16686 110 3PY 0.00061 0.00090 0.00736 -0.00397 -0.05102 111 3PZ -0.00424 -0.00986 0.00255 -0.01649 -0.08141 112 4XX -0.00016 -0.00018 -0.01177 -0.01308 0.01163 113 4YY -0.00019 -0.00042 -0.01725 -0.00101 -0.00623 114 4ZZ -0.00006 0.00012 -0.01571 -0.00410 -0.00184 115 4XY 0.00041 0.00102 0.00020 -0.00034 0.00113 116 4XZ 0.00004 0.00048 -0.00345 0.00809 0.01110 117 4YZ -0.00040 -0.00077 0.00424 -0.00860 0.01262 118 14 O 1S -0.00010 -0.00077 0.00537 -0.00687 -0.02953 119 2S 0.00005 0.00190 -0.00988 0.01073 0.06594 120 2PX -0.00034 -0.00462 0.05683 -0.12361 -0.16693 121 2PY -0.00008 -0.00423 0.02547 -0.05164 -0.09859 122 2PZ -0.00141 -0.00298 0.03477 -0.06520 -0.17837 123 3S 0.00234 0.00493 0.01404 -0.02641 0.06861 124 3PX -0.00114 -0.00489 0.02658 -0.06226 -0.10154 125 3PY -0.00026 -0.00317 0.01945 -0.03877 -0.07144 126 3PZ -0.00126 -0.00198 0.01512 -0.02656 -0.08267 127 4XX -0.00010 -0.00028 -0.00369 0.00605 -0.00641 128 4YY -0.00015 0.00000 -0.00126 0.00120 0.00465 129 4ZZ 0.00007 0.00022 -0.00089 0.00060 0.00146 130 4XY 0.00012 0.00030 -0.00464 0.00906 0.00889 131 4XZ 0.00005 0.00015 -0.00489 0.00780 0.00431 132 4YZ -0.00001 -0.00001 -0.00277 0.00504 0.01130 133 15 C 1S 0.00003 -0.00020 -0.00316 0.00630 0.00913 134 2S 0.00031 0.00145 0.00672 -0.01756 -0.02190 135 2PX -0.00016 -0.00178 -0.01114 0.02806 0.02079 136 2PY -0.00010 -0.00108 0.00217 -0.00474 -0.03532 137 2PZ 0.00118 0.00027 -0.00866 0.02121 0.03431 138 3S 0.00015 0.00175 0.00988 -0.01226 -0.04432 139 3PX 0.00114 0.00061 -0.00779 0.01317 0.01209 140 3PY 0.00068 0.00008 0.00139 -0.00393 -0.03155 141 3PZ 0.00049 0.00033 -0.00626 0.01180 0.03283 142 4XX -0.00009 -0.00015 -0.00162 0.00400 0.00735 143 4YY -0.00008 -0.00005 0.00217 -0.00464 -0.00888 144 4ZZ 0.00028 0.00025 -0.00094 0.00176 0.00479 145 4XY -0.00019 -0.00050 0.00103 -0.00239 -0.00015 146 4XZ -0.00003 -0.00001 -0.00005 0.00046 0.00444 147 4YZ 0.00017 0.00019 0.00000 0.00012 -0.00418 148 16 C 1S -0.00015 -0.00151 0.01947 -0.04084 0.01341 149 2S -0.00040 0.00010 -0.04084 0.07592 -0.02567 150 2PX -0.00505 -0.01516 0.01341 -0.02567 0.16094 151 2PY -0.00069 -0.00607 -0.08014 0.16580 0.01946 152 2PZ 0.00682 0.00957 -0.01091 0.01983 -0.09938 153 3S 0.00376 0.00975 0.00180 0.02807 -0.06625 154 3PX -0.00141 -0.00671 0.00344 -0.00368 0.09438 155 3PY 0.00192 -0.00049 -0.00105 0.01885 0.02433 156 3PZ 0.01246 0.01872 -0.00661 0.01819 -0.06394 157 4XX 0.00035 0.00029 0.00325 -0.00759 -0.00048 158 4YY -0.00008 -0.00018 -0.00653 0.01193 0.00092 159 4ZZ 0.00003 0.00021 0.00346 -0.00793 0.00233 160 4XY -0.00004 0.00046 0.00007 -0.00037 0.01259 161 4XZ 0.00002 -0.00056 0.00133 -0.00307 0.00017 162 4YZ -0.00023 -0.00024 0.00081 -0.00171 -0.00512 163 17 H 1S -0.00069 -0.00122 -0.00481 0.01265 0.02127 164 2S -0.00180 -0.00267 -0.00436 0.01311 0.04174 165 18 H 1S 0.00108 0.00093 -0.00289 0.00540 0.00914 166 2S 0.00129 0.00051 -0.00328 0.00505 -0.00171 167 19 O 1S 0.00019 0.00148 -0.00177 0.00495 0.00446 168 2S 0.00028 -0.00269 0.00716 -0.01548 -0.01397 169 2PX 0.00315 0.00741 -0.01256 0.02728 -0.07077 170 2PY -0.00017 -0.00120 0.02271 -0.05458 -0.02756 171 2PZ -0.00405 -0.00151 0.00200 -0.00190 0.04870 172 3S -0.00398 -0.00954 -0.00338 -0.00398 -0.01643 173 3PX 0.00455 0.00836 -0.00941 0.02046 -0.05944 174 3PY -0.00078 -0.00169 0.01410 -0.03728 -0.01912 175 3PZ -0.00269 -0.00184 0.00235 -0.00388 0.04773 176 4XX 0.00028 0.00063 0.00027 0.00014 -0.00368 177 4YY 0.00012 0.00018 0.00139 -0.00234 -0.00091 178 4ZZ 0.00003 -0.00002 0.00102 -0.00120 0.00256 179 4XY 0.00020 0.00051 0.00070 -0.00154 -0.00303 180 4XZ -0.00012 -0.00021 -0.00006 0.00020 0.00117 181 4YZ 0.00002 0.00026 0.00092 -0.00213 -0.00170 182 20 H 1S -0.00035 -0.00361 -0.00124 0.00104 -0.00605 183 2S -0.00121 -0.00328 -0.00321 0.00341 -0.02199 184 21 H 1S -0.00063 -0.00022 -0.00263 0.00805 -0.02530 185 2S -0.00021 -0.00044 -0.00281 0.01140 -0.05155 186 22 H 1S 0.00095 0.00361 -0.06820 0.13566 -0.06570 187 2S -0.00010 0.00234 -0.02048 0.04650 -0.03957 188 23 H 1S -0.00193 -0.00036 0.01654 -0.03648 0.00832 189 2S 0.00431 0.00495 0.02040 -0.04063 0.02370 106 107 108 109 110 106 2PY 0.43071 107 2PZ -0.02890 0.37881 108 3S 0.01738 -0.02415 0.30240 109 3PX -0.03758 -0.08370 -0.06511 0.10751 110 3PY 0.12294 0.01635 -0.00109 -0.03277 0.05313 111 3PZ 0.01243 0.16318 0.01251 -0.06592 0.02381 112 4XX 0.00700 0.01131 -0.01110 0.00269 0.00135 113 4YY -0.01259 -0.00558 -0.00002 0.00019 -0.00171 114 4ZZ 0.01309 -0.00482 -0.00313 -0.00075 0.00225 115 4XY 0.00496 0.01133 -0.00070 -0.00125 0.00301 116 4XZ 0.00916 0.00702 0.00261 0.00148 0.00128 117 4YZ -0.00769 0.00937 -0.01358 0.00464 -0.00212 118 14 O 1S -0.00841 -0.02341 0.03365 0.00188 -0.00926 119 2S 0.03094 0.05397 -0.08565 -0.00925 0.02010 120 2PX -0.10823 -0.18562 -0.03606 -0.02842 -0.01431 121 2PY -0.03170 -0.06629 -0.06383 0.00554 0.04341 122 2PZ -0.07010 -0.08075 -0.07378 -0.06529 -0.02436 123 3S -0.04044 0.04687 -0.14502 -0.00220 0.00576 124 3PX -0.05727 -0.09089 -0.00386 -0.02098 -0.00217 125 3PY -0.02505 -0.04913 -0.04535 0.00213 0.02760 126 3PZ -0.04074 -0.05661 -0.04402 -0.02602 -0.01817 127 4XX 0.00823 0.00739 0.00707 -0.00484 0.00343 128 4YY 0.00050 0.00290 0.00255 0.00001 -0.00238 129 4ZZ 0.00487 -0.00969 0.00268 0.00309 0.00096 130 4XY -0.00340 0.01056 0.00459 0.00132 -0.00224 131 4XZ 0.00310 -0.00128 0.00512 0.00090 0.00065 132 4YZ -0.00410 0.00184 0.00392 0.00492 -0.00177 133 15 C 1S -0.01013 0.00381 0.00669 0.00601 -0.00710 134 2S 0.03219 -0.01021 -0.01117 -0.01084 0.01566 135 2PX -0.01614 0.02271 0.04028 0.01474 -0.00224 136 2PY -0.02088 -0.03815 0.01437 -0.02863 -0.02780 137 2PZ -0.02129 0.00269 0.03383 0.02618 -0.00358 138 3S 0.05397 -0.00799 0.00698 -0.01789 0.02482 139 3PX -0.01700 0.01128 0.01714 0.00544 -0.00312 140 3PY -0.00043 -0.03294 0.00616 -0.00959 -0.00233 141 3PZ -0.02178 -0.00871 0.00195 0.02106 -0.01080 142 4XX 0.00167 0.00611 0.00033 0.00299 -0.00046 143 4YY -0.00517 -0.00719 -0.00421 -0.00355 -0.00211 144 4ZZ 0.00206 0.00340 0.00360 0.00141 0.00190 145 4XY 0.00067 -0.00422 -0.00110 0.00345 0.00190 146 4XZ -0.00026 0.00260 -0.00244 0.00084 -0.00049 147 4YZ 0.00250 0.00145 -0.00005 -0.00061 0.00299 148 16 C 1S 0.08014 -0.01089 0.00180 0.00344 0.00105 149 2S -0.16581 0.01979 0.02807 -0.00368 -0.01886 150 2PX -0.01944 -0.09938 -0.06626 0.09438 -0.02432 151 2PY -0.32465 -0.03392 0.12944 0.01941 -0.10079 152 2PZ 0.03382 0.11879 0.07408 -0.05076 0.02186 153 3S -0.12946 0.07403 -0.02100 -0.03376 0.01283 154 3PX -0.01940 -0.05076 -0.03377 0.04460 -0.01943 155 3PY -0.10079 -0.02189 -0.01285 0.01943 -0.02619 156 3PZ 0.03849 0.08165 0.04416 -0.04240 0.02097 157 4XX 0.01313 -0.00040 -0.00418 -0.00003 0.00387 158 4YY -0.00799 0.00075 0.01065 -0.00134 -0.00339 159 4ZZ 0.01007 -0.00379 -0.00858 0.00231 0.00223 160 4XY -0.00563 -0.00419 -0.00612 0.00720 -0.00241 161 4XZ 0.00447 -0.00034 -0.00378 0.00085 0.00203 162 4YZ -0.00038 0.01435 -0.00372 -0.00559 0.00309 163 17 H 1S 0.00579 0.01276 0.00897 0.01225 0.00076 164 2S -0.00554 0.00479 -0.00498 0.02403 -0.00972 165 18 H 1S 0.00537 0.00812 0.02075 0.00568 0.00940 166 2S 0.00261 0.02480 0.03060 -0.00489 0.01305 167 19 O 1S -0.00162 0.00858 -0.01912 -0.00040 0.00866 168 2S 0.01727 -0.01589 0.03953 -0.00018 -0.01381 169 2PX -0.03231 0.04711 0.05189 -0.06279 0.00293 170 2PY 0.05835 -0.01344 -0.11865 0.01223 0.07006 171 2PZ -0.05122 -0.05769 -0.02258 0.04579 -0.04205 172 3S -0.03055 -0.06696 0.06991 0.00817 -0.04760 173 3PX -0.01728 0.04762 0.04012 -0.05124 0.00649 174 3PY 0.03997 -0.01435 -0.07832 0.00943 0.04594 175 3PZ -0.04114 -0.05147 -0.02363 0.03962 -0.03260 176 4XX 0.00416 0.00503 0.00129 -0.00203 0.00205 177 4YY 0.00258 0.00125 -0.00668 -0.00009 0.00370 178 4ZZ 0.00250 -0.00056 -0.00190 0.00056 0.00107 179 4XY 0.00608 0.00086 0.00119 -0.00307 0.00152 180 4XZ -0.00136 0.00027 -0.00024 0.00084 0.00009 181 4YZ 0.00473 -0.00040 -0.00089 -0.00049 0.00056 182 20 H 1S 0.00206 0.00385 0.01568 0.00285 -0.00665 183 2S 0.00740 0.01343 0.02781 -0.00370 -0.00430 184 21 H 1S 0.00456 0.02413 -0.00338 -0.03165 0.01292 185 2S 0.00981 0.05074 0.00315 -0.05085 0.02064 186 22 H 1S 0.16923 -0.19076 0.13824 -0.01463 0.04025 187 2S 0.13846 -0.15449 0.05310 0.00285 0.02944 188 23 H 1S 0.04030 0.00081 -0.06701 -0.00165 0.02500 189 2S 0.06419 0.00813 -0.06604 0.00133 0.02217 111 112 113 114 115 111 3PZ 0.09326 112 4XX 0.00336 0.00284 113 4YY -0.00081 -0.00081 0.00124 114 4ZZ -0.00239 -0.00057 -0.00025 0.00166 115 4XY 0.00445 0.00068 -0.00016 -0.00042 0.00146 116 4XZ -0.00019 0.00036 -0.00086 0.00048 0.00038 117 4YZ 0.00057 0.00059 -0.00001 -0.00006 0.00045 118 14 O 1S 0.00881 -0.00408 0.00187 -0.00015 -0.00471 119 2S -0.02161 0.01019 -0.00417 0.00085 0.01094 120 2PX -0.03342 0.00967 0.00838 -0.01394 -0.00470 121 2PY -0.00080 -0.01246 0.01669 -0.00483 0.01115 122 2PZ -0.03147 -0.02966 0.00734 0.02319 -0.01508 123 3S -0.03623 0.00915 -0.00037 -0.00054 0.01372 124 3PX -0.00671 0.00838 0.00484 -0.01121 -0.00028 125 3PY -0.00143 -0.00826 0.01108 -0.00301 0.00645 126 3PZ -0.02935 -0.02041 0.00453 0.01586 -0.00909 127 4XX 0.00474 -0.00053 -0.00009 0.00032 0.00036 128 4YY 0.00049 0.00073 -0.00086 0.00021 -0.00086 129 4ZZ -0.00347 -0.00006 0.00012 -0.00011 0.00000 130 4XY 0.00177 -0.00044 -0.00033 0.00031 0.00003 131 4XZ -0.00174 0.00015 -0.00020 -0.00014 0.00023 132 4YZ -0.00035 0.00104 -0.00016 -0.00112 0.00036 133 15 C 1S 0.00104 -0.00035 0.00097 -0.00113 0.00146 134 2S 0.00196 0.00108 -0.00241 0.00264 -0.00346 135 2PX 0.01112 -0.00362 0.00310 -0.00371 0.00387 136 2PY -0.02414 -0.00023 -0.00266 0.00408 -0.00847 137 2PZ -0.00501 -0.00250 0.00292 -0.00353 0.00433 138 3S 0.01202 -0.00051 -0.00181 0.00211 -0.00259 139 3PX 0.00395 0.00005 0.00128 -0.00287 0.00192 140 3PY -0.00879 -0.00246 0.00101 0.00153 -0.00349 141 3PZ -0.01370 -0.00320 0.00132 0.00096 0.00042 142 4XX 0.00146 -0.00073 -0.00007 0.00058 -0.00016 143 4YY -0.00333 -0.00023 0.00019 0.00040 -0.00003 144 4ZZ 0.00199 0.00112 -0.00013 -0.00110 0.00034 145 4XY 0.00079 0.00018 0.00054 -0.00069 0.00038 146 4XZ 0.00027 0.00044 -0.00030 0.00005 -0.00031 147 4YZ 0.00240 -0.00103 0.00052 0.00028 0.00013 148 16 C 1S -0.00661 0.00325 -0.00653 0.00346 -0.00007 149 2S 0.01818 -0.00759 0.01193 -0.00793 0.00037 150 2PX -0.06395 -0.00048 0.00092 0.00233 -0.01259 151 2PY -0.03853 -0.01313 0.00799 -0.01007 -0.00563 152 2PZ 0.08164 -0.00040 0.00075 -0.00380 0.00419 153 3S 0.04415 -0.00418 0.01064 -0.00858 0.00612 154 3PX -0.04241 -0.00003 -0.00134 0.00231 -0.00720 155 3PY -0.02099 -0.00386 0.00339 -0.00223 -0.00241 156 3PZ 0.04847 0.00090 -0.00132 -0.00162 0.00480 157 4XX 0.00090 0.00057 -0.00034 0.00024 -0.00016 158 4YY -0.00132 -0.00034 -0.00010 -0.00026 0.00009 159 4ZZ -0.00162 0.00024 -0.00026 0.00074 0.00004 160 4XY -0.00480 0.00016 -0.00009 -0.00004 0.00000 161 4XZ 0.00145 0.00000 0.00023 0.00019 -0.00036 162 4YZ 0.00723 0.00047 -0.00007 -0.00022 0.00055 163 17 H 1S 0.00419 -0.00346 0.00043 0.00137 -0.00038 164 2S -0.00720 -0.00561 0.00070 0.00374 -0.00106 165 18 H 1S 0.00565 0.00242 0.00013 -0.00360 0.00183 166 2S 0.01770 0.00650 0.00011 -0.00765 0.00380 167 19 O 1S 0.00034 0.00017 -0.00113 -0.00041 0.00019 168 2S 0.00415 -0.00013 0.00172 0.00103 -0.00005 169 2PX 0.01592 0.00181 -0.00323 -0.00311 0.00571 170 2PY 0.02568 -0.00128 0.00525 0.00022 -0.00352 171 2PZ -0.04494 -0.00149 -0.00191 0.00376 0.00395 172 3S -0.02588 -0.00333 0.00284 0.00163 -0.00090 173 3PX 0.02007 0.00099 -0.00167 -0.00235 0.00407 174 3PY 0.01465 -0.00137 0.00393 0.00031 -0.00219 175 3PZ -0.03821 -0.00132 -0.00071 0.00284 0.00122 176 4XX 0.00335 -0.00005 0.00009 -0.00001 0.00046 177 4YY 0.00190 0.00012 0.00005 0.00004 -0.00039 178 4ZZ -0.00081 0.00028 -0.00010 -0.00004 0.00010 179 4XY 0.00019 0.00034 -0.00045 0.00018 0.00033 180 4XZ 0.00043 -0.00007 0.00027 -0.00014 -0.00002 181 4YZ -0.00013 0.00012 -0.00028 0.00037 0.00037 182 20 H 1S 0.00497 -0.00012 0.00033 -0.00055 0.00128 183 2S 0.01380 0.00000 0.00033 -0.00111 0.00256 184 21 H 1S 0.01169 0.00042 -0.00006 -0.00121 0.00009 185 2S 0.02778 0.00044 -0.00015 -0.00139 0.00071 186 22 H 1S -0.06419 -0.01030 -0.00133 0.00727 -0.00491 187 2S -0.05323 -0.00710 -0.00114 0.00780 -0.00503 188 23 H 1S 0.00188 0.00286 0.00066 0.00200 0.00225 189 2S -0.00048 0.00382 -0.00248 0.00396 0.00105 116 117 118 119 120 116 4XZ 0.00147 117 4YZ 0.00023 0.00192 118 14 O 1S -0.00482 -0.00418 2.07557 119 2S 0.01112 0.00916 -0.17799 0.50359 120 2PX -0.02047 -0.01403 -0.01251 0.02850 0.64791 121 2PY -0.01396 0.00988 -0.03973 0.07464 0.02589 122 2PZ -0.00360 0.00086 -0.00479 0.00377 -0.13783 123 3S 0.00833 0.01643 -0.24523 0.59250 0.04942 124 3PX -0.01239 -0.00876 -0.00938 0.02093 0.40599 125 3PY -0.00951 0.00553 -0.02573 0.04922 0.03539 126 3PZ -0.00057 0.00239 -0.00453 0.00465 -0.14600 127 4XX 0.00026 -0.00009 -0.01520 -0.00285 -0.01349 128 4YY 0.00067 -0.00082 -0.01267 -0.00833 0.00249 129 4ZZ -0.00029 -0.00035 -0.01397 -0.00547 0.00533 130 4XY 0.00095 0.00054 0.00150 -0.00344 -0.02796 131 4XZ 0.00045 -0.00007 -0.00372 0.00792 -0.00237 132 4YZ 0.00013 0.00011 0.00139 -0.00292 0.00402 133 15 C 1S -0.00001 0.00168 0.00354 -0.00656 -0.02523 134 2S 0.00075 -0.00394 -0.00182 0.00256 0.05125 135 2PX -0.00315 0.00431 0.01529 -0.03725 -0.05310 136 2PY 0.00029 -0.00716 -0.02798 0.06679 0.12287 137 2PZ -0.00327 0.00376 0.01501 -0.03598 -0.05822 138 3S -0.00120 -0.00486 0.02924 -0.07390 0.03114 139 3PX -0.00119 0.00177 -0.00403 0.00862 0.00240 140 3PY -0.00166 -0.00356 -0.00234 0.00203 0.04749 141 3PZ 0.00022 0.00290 -0.00333 0.00686 -0.06072 142 4XX 0.00060 0.00033 0.00248 -0.00540 -0.02408 143 4YY -0.00024 0.00008 -0.00616 0.01471 0.01377 144 4ZZ -0.00016 -0.00022 0.00216 -0.00417 0.00781 145 4XY -0.00063 -0.00005 0.00391 -0.00924 0.00690 146 4XZ 0.00052 -0.00015 -0.00149 0.00368 -0.00134 147 4YZ -0.00022 0.00040 0.00458 -0.01106 -0.01703 148 16 C 1S 0.00133 -0.00081 -0.00177 0.00716 -0.01256 149 2S -0.00307 0.00172 0.00495 -0.01548 0.02727 150 2PX 0.00017 0.00512 0.00446 -0.01397 -0.07077 151 2PY -0.00448 -0.00037 0.00162 -0.01727 0.03230 152 2PZ -0.00034 -0.01435 0.00858 -0.01590 0.04712 153 3S -0.00377 0.00373 -0.01912 0.03953 0.05189 154 3PX 0.00085 0.00559 -0.00040 -0.00018 -0.06279 155 3PY -0.00203 0.00309 -0.00866 0.01381 -0.00293 156 3PZ 0.00145 -0.00723 0.00034 0.00415 0.01592 157 4XX 0.00000 -0.00047 0.00017 -0.00013 0.00181 158 4YY 0.00023 0.00007 -0.00113 0.00172 -0.00322 159 4ZZ 0.00019 0.00022 -0.00041 0.00103 -0.00312 160 4XY 0.00036 0.00055 -0.00019 0.00005 -0.00571 161 4XZ 0.00004 -0.00017 0.00019 -0.00040 -0.00061 162 4YZ 0.00017 0.00062 -0.00025 0.00048 -0.00497 163 17 H 1S 0.00037 0.00170 0.01026 -0.02490 -0.06499 164 2S 0.00177 0.00353 0.00569 -0.01482 -0.11692 165 18 H 1S -0.00183 -0.00070 0.00889 -0.02014 0.02515 166 2S -0.00289 -0.00148 0.00532 -0.01017 0.08190 167 19 O 1S 0.00019 0.00025 0.00092 -0.00175 -0.00451 168 2S -0.00040 -0.00048 -0.00175 0.00434 0.00771 169 2PX -0.00061 0.00497 -0.00451 0.00771 0.00552 170 2PY -0.00129 -0.00300 0.01105 -0.02888 0.00092 171 2PZ 0.00219 0.00360 -0.00933 0.01775 -0.01625 172 3S -0.00219 -0.00023 -0.01294 0.02675 0.03677 173 3PX -0.00033 0.00223 -0.00662 0.01437 0.00624 174 3PY -0.00114 -0.00193 0.00453 -0.01241 0.00192 175 3PZ 0.00133 0.00308 -0.01028 0.02059 -0.01000 176 4XX 0.00004 -0.00020 0.00031 -0.00032 -0.00140 177 4YY 0.00013 -0.00029 0.00035 -0.00120 0.00051 178 4ZZ -0.00003 0.00046 -0.00024 0.00068 -0.00158 179 4XY 0.00009 0.00023 -0.00079 0.00193 0.00037 180 4XZ -0.00007 0.00020 0.00022 -0.00068 -0.00132 181 4YZ 0.00016 -0.00002 -0.00075 0.00177 -0.00020 182 20 H 1S 0.00051 -0.00126 0.00058 -0.00069 0.00313 183 2S 0.00036 -0.00282 0.00121 -0.00103 0.01766 184 21 H 1S 0.00067 -0.00002 -0.00177 0.00218 -0.00116 185 2S 0.00051 -0.00017 -0.00269 0.00416 -0.00434 186 22 H 1S 0.00219 -0.01375 0.01458 -0.02981 0.01400 187 2S 0.00106 -0.00999 0.01571 -0.03187 0.01597 188 23 H 1S 0.00135 0.00732 -0.00352 0.00990 -0.02878 189 2S 0.00287 0.00649 -0.00324 0.00967 -0.05948 121 122 123 124 125 121 2PY 0.66560 122 2PZ 0.04101 0.71652 123 3S 0.21999 0.05278 0.75618 124 3PX 0.03490 -0.15871 0.03229 0.26578 125 3PY 0.42233 0.03768 0.14005 0.03228 0.26979 126 3PZ 0.04618 0.46282 0.04139 -0.13779 0.03458 127 4XX 0.00530 0.00322 -0.00421 -0.00785 0.00286 128 4YY -0.04105 -0.00244 -0.01835 0.00029 -0.02560 129 4ZZ 0.00589 -0.00732 -0.00646 0.00401 0.00371 130 4XY -0.00808 0.00450 -0.00490 -0.01726 -0.00594 131 4XZ -0.00090 -0.00743 0.00741 -0.00077 -0.00087 132 4YZ -0.00308 -0.02923 -0.00413 0.00508 -0.00252 133 15 C 1S 0.05976 -0.02422 0.02100 -0.00730 0.03520 134 2S -0.13130 0.04939 -0.05475 0.01639 -0.07588 135 2PX 0.13977 -0.05326 -0.02476 -0.03747 0.08012 136 2PY -0.22001 0.13956 0.03596 0.04930 -0.13393 137 2PZ 0.14521 -0.05260 -0.02664 -0.01732 0.08591 138 3S -0.09641 0.02270 -0.13767 0.00867 -0.05609 139 3PX 0.05244 -0.04080 0.01708 0.00190 0.03030 140 3PY -0.01938 0.06256 -0.00630 0.02068 -0.00873 141 3PZ 0.05203 0.03542 0.01928 -0.03708 0.03010 142 4XX -0.00102 0.00833 -0.00775 -0.01644 -0.00130 143 4YY 0.00404 0.01598 0.02322 0.00749 0.00300 144 4ZZ -0.00109 -0.02693 -0.00867 0.00798 -0.00068 145 4XY 0.01985 -0.01748 -0.00750 0.00701 0.01253 146 4XZ -0.01286 -0.00133 0.00155 -0.00098 -0.00776 147 4YZ 0.02151 0.00889 -0.00926 -0.01035 0.01360 148 16 C 1S -0.02271 0.00199 -0.00338 -0.00941 -0.01410 149 2S 0.05458 -0.00189 -0.00398 0.02046 0.03728 150 2PX 0.02755 0.04870 -0.01642 -0.05944 0.01911 151 2PY 0.05833 0.05124 0.03057 0.01727 0.03996 152 2PZ 0.01347 -0.05767 -0.06696 0.04763 0.01437 153 3S 0.11866 -0.02255 0.06991 0.04012 0.07833 154 3PX -0.01224 0.04579 0.00818 -0.05124 -0.00944 155 3PY 0.07006 0.04206 0.04760 -0.00649 0.04593 156 3PZ -0.02565 -0.04494 -0.02588 0.02008 -0.01463 157 4XX 0.00128 -0.00149 -0.00333 0.00099 0.00137 158 4YY -0.00525 -0.00191 0.00284 -0.00167 -0.00393 159 4ZZ -0.00022 0.00376 0.00163 -0.00235 -0.00032 160 4XY -0.00352 -0.00395 0.00090 -0.00407 -0.00219 161 4XZ 0.00129 0.00219 -0.00219 -0.00033 0.00114 162 4YZ -0.00300 -0.00360 0.00023 -0.00223 -0.00193 163 17 H 1S 0.01386 0.02891 -0.04016 -0.05426 0.00600 164 2S 0.03137 0.07567 -0.01085 -0.08763 0.01561 165 18 H 1S 0.01453 -0.07388 -0.04561 0.02839 0.00976 166 2S 0.02793 -0.15915 -0.02896 0.07369 0.01834 167 19 O 1S -0.01104 -0.00933 -0.01294 -0.00662 -0.00453 168 2S 0.02888 0.01775 0.02675 0.01437 0.01241 169 2PX -0.00092 -0.01624 0.03677 0.00624 -0.00192 170 2PY 0.13550 0.00575 -0.05942 0.00134 0.10449 171 2PZ -0.00572 0.00705 0.07072 -0.00569 -0.01084 172 3S 0.05940 0.07072 0.08394 0.02853 0.02903 173 3PX -0.00134 -0.00568 0.02853 0.00658 -0.00115 174 3PY 0.10448 0.01085 -0.02905 0.00115 0.07829 175 3PZ -0.00173 0.01676 0.05953 -0.00632 -0.00617 176 4XX 0.00226 -0.00269 -0.00148 -0.00031 0.00118 177 4YY -0.00223 0.00072 -0.00514 -0.00009 -0.00014 178 4ZZ 0.00197 -0.00342 0.00135 -0.00074 0.00094 179 4XY -0.00332 -0.00069 0.00244 -0.00008 -0.00244 180 4XZ 0.00299 -0.00072 -0.00058 -0.00070 0.00179 181 4YZ -0.00194 0.00060 0.00257 0.00036 -0.00155 182 20 H 1S -0.00275 -0.00693 -0.00618 0.00336 -0.00131 183 2S -0.00414 -0.02058 -0.01247 0.01546 -0.00143 184 21 H 1S -0.00040 -0.00143 0.01642 -0.00081 -0.00446 185 2S 0.00207 0.00443 0.01705 -0.00079 -0.00282 186 22 H 1S -0.01736 0.04332 -0.07740 0.00237 -0.00923 187 2S -0.02197 0.07309 -0.06865 -0.00175 -0.01054 188 23 H 1S -0.01995 -0.00586 0.01898 -0.02012 -0.01569 189 2S -0.04326 0.00655 0.01363 -0.04088 -0.03098 126 127 128 129 130 126 3PZ 0.30851 127 4XX 0.00301 0.00104 128 4YY -0.00326 -0.00033 0.00294 129 4ZZ -0.00472 0.00002 -0.00023 0.00079 130 4XY 0.00506 0.00037 0.00030 -0.00034 0.00161 131 4XZ -0.00424 0.00009 -0.00005 0.00011 0.00008 132 4YZ -0.01812 -0.00023 0.00015 0.00019 0.00006 133 15 C 1S -0.00646 0.00031 -0.00712 0.00033 0.00305 134 2S 0.01411 -0.00092 0.01322 -0.00064 -0.00577 135 2PX -0.01330 0.00985 -0.01103 -0.00019 -0.00350 136 2PY 0.06659 -0.00249 0.01051 -0.00109 -0.00263 137 2PZ -0.03963 0.00035 -0.01121 0.00932 0.00410 138 3S -0.00201 0.00126 0.00987 0.00118 -0.00446 139 3PX -0.02003 0.00281 -0.00395 -0.00003 -0.00214 140 3PY 0.03358 -0.00039 0.00112 0.00049 -0.00188 141 3PZ 0.02611 0.00025 -0.00408 0.00221 0.00299 142 4XX 0.00819 0.00094 -0.00003 -0.00048 0.00079 143 4YY 0.00990 -0.00058 -0.00031 -0.00042 -0.00053 144 4ZZ -0.01913 -0.00039 0.00013 0.00081 -0.00004 145 4XY -0.01068 -0.00007 -0.00082 0.00036 -0.00053 146 4XZ -0.00087 -0.00035 0.00098 -0.00037 0.00029 147 4YZ 0.00787 0.00048 -0.00102 0.00007 0.00044 148 16 C 1S 0.00235 0.00027 0.00139 0.00102 -0.00070 149 2S -0.00387 0.00014 -0.00234 -0.00120 0.00154 150 2PX 0.04773 -0.00368 -0.00091 0.00256 0.00302 151 2PY 0.04116 -0.00416 -0.00258 -0.00250 0.00608 152 2PZ -0.05145 0.00503 0.00125 -0.00056 -0.00086 153 3S -0.02361 0.00129 -0.00668 -0.00190 -0.00119 154 3PX 0.03962 -0.00203 -0.00009 0.00056 0.00307 155 3PY 0.03261 -0.00205 -0.00370 -0.00107 0.00152 156 3PZ -0.03820 0.00335 0.00190 -0.00081 -0.00019 157 4XX -0.00131 -0.00005 0.00012 0.00028 -0.00034 158 4YY -0.00071 0.00009 0.00005 -0.00010 0.00045 159 4ZZ 0.00283 -0.00001 0.00004 -0.00004 -0.00018 160 4XY -0.00122 -0.00046 0.00039 -0.00010 0.00033 161 4XZ 0.00133 0.00004 0.00013 -0.00003 -0.00009 162 4YZ -0.00308 0.00020 0.00029 -0.00046 0.00023 163 17 H 1S 0.03094 0.00638 -0.00047 -0.00214 -0.00191 164 2S 0.06849 0.00588 -0.00281 -0.00286 0.00179 165 18 H 1S -0.06367 -0.00188 0.00010 0.00617 -0.00032 166 2S -0.12026 -0.00272 -0.00145 0.00636 -0.00176 167 19 O 1S -0.01028 0.00031 0.00035 -0.00024 0.00079 168 2S 0.02059 -0.00032 -0.00120 0.00068 -0.00193 169 2PX -0.00999 -0.00140 0.00051 -0.00158 -0.00037 170 2PY 0.00175 -0.00226 0.00223 -0.00197 -0.00332 171 2PZ 0.01675 -0.00269 0.00072 -0.00342 0.00069 172 3S 0.05953 -0.00148 -0.00513 0.00135 -0.00244 173 3PX -0.00632 -0.00031 -0.00009 -0.00074 0.00008 174 3PY 0.00619 -0.00118 0.00014 -0.00094 -0.00244 175 3PZ 0.02065 -0.00184 -0.00021 -0.00230 0.00041 176 4XX -0.00183 0.00050 -0.00026 -0.00004 -0.00010 177 4YY -0.00021 -0.00026 0.00085 -0.00029 -0.00011 178 4ZZ -0.00229 -0.00004 -0.00029 0.00025 0.00002 179 4XY -0.00041 0.00010 0.00011 -0.00002 -0.00029 180 4XZ -0.00023 0.00005 -0.00015 0.00008 -0.00001 181 4YZ 0.00015 0.00000 0.00014 -0.00004 -0.00012 182 20 H 1S -0.00539 0.00001 0.00039 0.00029 -0.00021 183 2S -0.01640 0.00042 0.00062 0.00048 -0.00079 184 21 H 1S -0.00560 0.00021 -0.00032 -0.00157 0.00023 185 2S -0.00444 0.00130 -0.00042 -0.00217 0.00037 186 22 H 1S 0.03206 0.00288 0.00091 0.00570 -0.00313 187 2S 0.04918 0.00109 0.00186 0.00403 -0.00327 188 23 H 1S -0.00329 -0.00004 0.00060 -0.00074 -0.00076 189 2S 0.00721 0.00016 0.00204 -0.00140 0.00066 131 132 133 134 135 131 4XZ 0.00045 132 4YZ 0.00028 0.00151 133 15 C 1S -0.00130 0.00368 2.04980 134 2S 0.00169 -0.00687 -0.06512 0.34291 135 2PX 0.00298 0.00514 -0.01454 0.02587 0.42805 136 2PY 0.00092 -0.00522 0.00000 0.00000 0.00000 137 2PZ 0.00265 -0.00220 -0.01514 0.02464 -0.04321 138 3S 0.00061 -0.00523 -0.14988 0.26010 0.04456 139 3PX 0.00170 0.00267 -0.00856 0.01867 0.15540 140 3PY -0.00024 -0.00254 0.00000 0.00000 0.00000 141 3PZ 0.00123 -0.00263 -0.01236 0.02305 -0.00828 142 4XX 0.00011 -0.00001 -0.01782 0.00026 0.02407 143 4YY -0.00031 -0.00060 -0.01312 -0.01025 -0.01562 144 4ZZ 0.00027 0.00083 -0.01764 -0.00043 -0.01021 145 4XY -0.00012 0.00065 0.00000 0.00000 0.00000 146 4XZ -0.00004 0.00020 0.00060 -0.00098 -0.01140 147 4YZ -0.00032 -0.00038 0.00000 0.00000 0.00000 148 16 C 1S -0.00006 -0.00092 -0.00316 0.00672 -0.01114 149 2S 0.00020 0.00213 0.00630 -0.01756 0.02806 150 2PX 0.00117 0.00170 0.00913 -0.02190 0.02079 151 2PY 0.00136 0.00473 0.01013 -0.03218 0.01614 152 2PZ 0.00027 0.00040 0.00381 -0.01022 0.02271 153 3S -0.00024 0.00089 0.00669 -0.01117 0.04029 154 3PX 0.00084 0.00049 0.00601 -0.01084 0.01474 155 3PY -0.00009 0.00056 0.00710 -0.01566 0.00224 156 3PZ 0.00043 0.00013 0.00104 0.00196 0.01112 157 4XX -0.00007 -0.00012 -0.00035 0.00108 -0.00362 158 4YY 0.00027 0.00028 0.00097 -0.00241 0.00310 159 4ZZ -0.00014 -0.00037 -0.00113 0.00264 -0.00371 160 4XY 0.00002 0.00037 -0.00146 0.00346 -0.00387 161 4XZ -0.00007 -0.00016 -0.00001 0.00075 -0.00315 162 4YZ -0.00020 -0.00002 -0.00168 0.00394 -0.00431 163 17 H 1S 0.00194 -0.00018 -0.05970 0.12411 0.27099 164 2S 0.00098 -0.00080 -0.01231 0.03559 0.21706 165 18 H 1S 0.00215 -0.00169 -0.05992 0.12294 -0.07218 166 2S 0.00178 0.00307 -0.01152 0.03386 -0.08280 167 19 O 1S 0.00022 0.00075 0.00354 -0.00182 0.01529 168 2S -0.00068 -0.00177 -0.00656 0.00256 -0.03725 169 2PX -0.00132 0.00020 -0.02523 0.05125 -0.05310 170 2PY -0.00299 -0.00194 -0.05976 0.13128 -0.13976 171 2PZ -0.00072 -0.00060 -0.02423 0.04942 -0.05329 172 3S -0.00058 -0.00258 0.02100 -0.05475 -0.02477 173 3PX -0.00070 -0.00036 -0.00730 0.01639 -0.03746 174 3PY -0.00179 -0.00155 -0.03520 0.07587 -0.08011 175 3PZ -0.00023 -0.00015 -0.00646 0.01413 -0.01332 176 4XX 0.00005 0.00000 0.00031 -0.00092 0.00985 177 4YY -0.00015 -0.00014 -0.00712 0.01321 -0.01103 178 4ZZ 0.00008 0.00004 0.00033 -0.00064 -0.00019 179 4XY 0.00001 -0.00012 -0.00305 0.00577 0.00350 180 4XZ 0.00004 0.00002 -0.00130 0.00169 0.00298 181 4YZ -0.00002 -0.00034 -0.00368 0.00688 -0.00514 182 20 H 1S -0.00001 -0.00001 -0.00112 0.00310 -0.00253 183 2S -0.00008 0.00007 -0.00173 0.00488 -0.00484 184 21 H 1S 0.00065 -0.00028 -0.00112 0.00309 -0.00253 185 2S 0.00047 -0.00097 -0.00173 0.00488 -0.00484 186 22 H 1S 0.00366 -0.00319 -0.00735 0.02026 -0.01911 187 2S 0.00123 -0.00428 -0.00777 0.02246 -0.02697 188 23 H 1S -0.00092 -0.00109 -0.00735 0.02026 -0.01911 189 2S -0.00084 -0.00143 -0.00777 0.02246 -0.02697 136 137 138 139 140 136 2PY 0.29269 137 2PZ -0.00002 0.42487 138 3S -0.00001 0.05595 0.23348 139 3PX 0.00000 -0.01404 0.01604 0.06207 140 3PY 0.07096 -0.00001 0.00000 0.00000 0.02606 141 3PZ -0.00001 0.14519 0.02154 -0.00376 0.00000 142 4XX 0.00000 -0.00911 0.00239 0.00681 0.00000 143 4YY 0.00001 -0.01616 -0.01289 -0.00513 0.00000 144 4ZZ -0.00001 0.02326 0.00319 -0.00205 0.00000 145 4XY -0.02088 0.00000 0.00000 0.00000 -0.00389 146 4XZ 0.00000 -0.01234 -0.00369 -0.00377 0.00000 147 4YZ -0.02050 -0.00001 0.00000 0.00000 -0.00288 148 16 C 1S -0.00217 -0.00867 0.00988 -0.00779 -0.00139 149 2S 0.00474 0.02121 -0.01226 0.01317 0.00393 150 2PX 0.03531 0.03432 -0.04432 0.01209 0.03155 151 2PY -0.02090 0.02129 -0.05396 0.01700 -0.00044 152 2PZ 0.03814 0.00271 -0.00800 0.01129 0.03294 153 3S -0.01438 0.03383 0.00698 0.01714 -0.00616 154 3PX 0.02862 0.02619 -0.01789 0.00544 0.00958 155 3PY -0.02780 0.00358 -0.02482 0.00311 -0.00234 156 3PZ 0.02414 -0.00500 0.01202 0.00396 0.00880 157 4XX 0.00023 -0.00250 -0.00051 0.00005 0.00246 158 4YY 0.00266 0.00292 -0.00182 0.00128 -0.00101 159 4ZZ -0.00409 -0.00353 0.00211 -0.00287 -0.00153 160 4XY -0.00847 -0.00433 0.00259 -0.00192 -0.00349 161 4XZ -0.00029 -0.00327 -0.00119 -0.00119 0.00166 162 4YZ -0.00716 -0.00376 0.00486 -0.00177 -0.00356 163 17 H 1S 0.00001 -0.06517 0.10660 0.09600 0.00000 164 2S 0.00001 -0.07286 0.03009 0.06961 0.00000 165 18 H 1S -0.00003 0.26773 0.11640 -0.01756 -0.00001 166 2S -0.00003 0.21788 0.04307 -0.01695 -0.00001 167 19 O 1S 0.02798 0.01502 0.02924 -0.00403 0.00234 168 2S -0.06678 -0.03600 -0.07391 0.00862 -0.00203 169 2PX -0.12286 -0.05825 0.03114 0.00239 -0.04748 170 2PY -0.21994 -0.14525 0.09641 -0.05244 -0.01936 171 2PZ -0.13960 -0.05267 0.02272 -0.04080 -0.06257 172 3S -0.03596 -0.02665 -0.13767 0.01708 0.00629 173 3PX -0.04929 -0.01733 0.00867 0.00190 -0.02067 174 3PY -0.13390 -0.08593 0.05610 -0.03030 -0.00871 175 3PZ -0.06661 -0.03967 -0.00199 -0.02003 -0.03359 176 4XX 0.00249 0.00036 0.00126 0.00281 0.00039 177 4YY -0.01050 -0.01121 0.00987 -0.00395 -0.00111 178 4ZZ 0.00109 0.00932 0.00118 -0.00003 -0.00049 179 4XY -0.00262 -0.00410 0.00446 0.00213 -0.00188 180 4XZ -0.00092 0.00265 0.00062 0.00170 0.00024 181 4YZ -0.00522 0.00219 0.00523 -0.00267 -0.00254 182 20 H 1S 0.00028 0.00309 0.00385 0.00343 0.00247 183 2S 0.00067 0.00346 0.00721 0.00266 0.00303 184 21 H 1S -0.00028 0.00309 0.00385 0.00343 -0.00247 185 2S -0.00067 0.00346 0.00721 0.00265 -0.00303 186 22 H 1S 0.03007 -0.01935 0.02999 -0.01339 0.02408 187 2S 0.03202 -0.03246 0.02717 -0.01775 0.02345 188 23 H 1S -0.03006 -0.01936 0.02999 -0.01339 -0.02407 189 2S -0.03201 -0.03247 0.02717 -0.01775 -0.02345 141 142 143 144 145 141 3PZ 0.06494 142 4XX 0.00048 0.00335 143 4YY -0.00463 -0.00124 0.00343 144 4ZZ 0.00357 -0.00166 -0.00138 0.00350 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00248 146 4XZ -0.00400 -0.00011 0.00051 -0.00014 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00102 148 16 C 1S -0.00626 -0.00162 0.00217 -0.00094 -0.00103 149 2S 0.01180 0.00400 -0.00464 0.00176 0.00239 150 2PX 0.03283 0.00735 -0.00888 0.00479 0.00015 151 2PY 0.02178 -0.00167 0.00517 -0.00206 0.00067 152 2PZ -0.00870 0.00611 -0.00718 0.00340 0.00422 153 3S 0.00195 0.00033 -0.00421 0.00360 0.00110 154 3PX 0.02106 0.00299 -0.00355 0.00141 -0.00345 155 3PY 0.01081 0.00046 0.00211 -0.00190 0.00190 156 3PZ -0.01370 0.00146 -0.00332 0.00199 -0.00079 157 4XX -0.00320 -0.00073 -0.00023 0.00112 -0.00018 158 4YY 0.00132 -0.00007 0.00019 -0.00013 -0.00054 159 4ZZ 0.00096 0.00058 0.00040 -0.00110 0.00069 160 4XY -0.00042 0.00016 0.00003 -0.00034 0.00038 161 4XZ 0.00022 0.00060 -0.00024 -0.00016 0.00063 162 4YZ -0.00290 -0.00033 -0.00008 0.00022 -0.00005 163 17 H 1S -0.00314 0.02033 -0.01191 -0.01176 0.00000 164 2S 0.00211 0.02111 -0.00689 -0.01530 0.00000 165 18 H 1S 0.08283 -0.01122 -0.01262 0.02042 0.00000 166 2S 0.04488 -0.01622 -0.00903 0.02417 0.00000 167 19 O 1S -0.00333 0.00248 -0.00615 0.00216 -0.00391 168 2S 0.00686 -0.00540 0.01471 -0.00417 0.00924 169 2PX -0.06073 -0.02408 0.01377 0.00781 -0.00690 170 2PY -0.05205 0.00102 -0.00405 0.00110 0.01984 171 2PZ 0.03540 0.00833 0.01598 -0.02693 0.01749 172 3S 0.01928 -0.00775 0.02322 -0.00867 0.00750 173 3PX -0.03709 -0.01644 0.00749 0.00798 -0.00701 174 3PY -0.03011 0.00129 -0.00301 0.00069 0.01253 175 3PZ 0.02610 0.00819 0.00990 -0.01914 0.01068 176 4XX 0.00025 0.00094 -0.00058 -0.00039 0.00007 177 4YY -0.00408 -0.00003 -0.00031 0.00013 0.00082 178 4ZZ 0.00221 -0.00048 -0.00042 0.00081 -0.00036 179 4XY -0.00299 -0.00079 0.00053 0.00004 -0.00053 180 4XZ 0.00123 0.00011 -0.00031 0.00027 0.00012 181 4YZ 0.00263 0.00001 0.00060 -0.00083 0.00065 182 20 H 1S 0.00143 -0.00055 -0.00024 0.00047 -0.00017 183 2S -0.00120 -0.00102 -0.00017 0.00083 0.00030 184 21 H 1S 0.00143 -0.00055 -0.00024 0.00047 0.00017 185 2S -0.00121 -0.00102 -0.00017 0.00083 -0.00030 186 22 H 1S -0.00664 -0.00057 0.00081 -0.00195 -0.00002 187 2S -0.00697 0.00090 0.00129 -0.00371 0.00015 188 23 H 1S -0.00664 -0.00057 0.00081 -0.00195 0.00002 189 2S -0.00698 0.00090 0.00129 -0.00371 -0.00015 146 147 148 149 150 146 4XZ 0.00106 147 4YZ 0.00000 0.00274 148 16 C 1S -0.00005 0.00000 2.05255 149 2S 0.00046 -0.00012 -0.06339 0.33288 150 2PX 0.00444 0.00418 0.01203 -0.01861 0.34621 151 2PY 0.00026 0.00250 -0.00506 0.01303 0.04016 152 2PZ 0.00260 -0.00145 0.01511 -0.02721 -0.02221 153 3S -0.00244 0.00005 -0.17203 0.27247 -0.09834 154 3PX 0.00084 0.00060 0.01878 -0.03666 0.16687 155 3PY 0.00049 0.00299 -0.00736 0.00397 0.05104 156 3PZ 0.00027 -0.00241 0.00255 -0.01649 -0.08141 157 4XX 0.00044 0.00103 -0.01177 -0.01308 0.01164 158 4YY -0.00030 -0.00052 -0.01725 -0.00102 -0.00623 159 4ZZ 0.00005 -0.00027 -0.01571 -0.00410 -0.00185 160 4XY 0.00031 0.00013 -0.00020 0.00034 -0.00113 161 4XZ 0.00052 0.00022 -0.00345 0.00809 0.01110 162 4YZ 0.00015 0.00040 -0.00424 0.00860 -0.01262 163 17 H 1S -0.00523 0.00000 -0.00481 0.01265 0.02127 164 2S -0.00337 0.00000 -0.00437 0.01311 0.04174 165 18 H 1S -0.00575 0.00000 -0.00289 0.00540 0.00914 166 2S -0.00384 0.00000 -0.00328 0.00505 -0.00170 167 19 O 1S -0.00149 -0.00458 0.00537 -0.00687 -0.02953 168 2S 0.00368 0.01106 -0.00988 0.01073 0.06594 169 2PX -0.00134 0.01703 0.05683 -0.12361 -0.16693 170 2PY 0.01286 0.02151 -0.02548 0.05165 0.09863 171 2PZ -0.00132 -0.00887 0.03477 -0.06519 -0.17835 172 3S 0.00155 0.00927 0.01404 -0.02641 0.06860 173 3PX -0.00098 0.01035 0.02658 -0.06226 -0.10154 174 3PY 0.00776 0.01360 -0.01946 0.03878 0.07145 175 3PZ -0.00087 -0.00786 0.01512 -0.02655 -0.08265 176 4XX -0.00035 -0.00048 -0.00369 0.00605 -0.00641 177 4YY 0.00098 0.00102 -0.00126 0.00120 0.00465 178 4ZZ -0.00037 -0.00007 -0.00089 0.00060 0.00146 179 4XY -0.00029 0.00044 0.00464 -0.00907 -0.00889 180 4XZ -0.00004 0.00032 -0.00489 0.00780 0.00431 181 4YZ -0.00020 -0.00038 0.00277 -0.00504 -0.01130 182 20 H 1S 0.00018 0.00005 -0.00263 0.00805 -0.02530 183 2S 0.00000 -0.00052 -0.00281 0.01140 -0.05155 184 21 H 1S 0.00018 -0.00005 -0.00124 0.00104 -0.00605 185 2S 0.00000 0.00052 -0.00321 0.00341 -0.02198 186 22 H 1S -0.00069 0.00063 0.01654 -0.03648 0.00832 187 2S 0.00044 0.00038 0.02040 -0.04063 0.02370 188 23 H 1S -0.00069 -0.00063 -0.06820 0.13566 -0.06571 189 2S 0.00044 -0.00038 -0.02048 0.04651 -0.03958 151 152 153 154 155 151 2PY 0.43069 152 2PZ 0.02891 0.37882 153 3S -0.01737 -0.02415 0.30238 154 3PX 0.03759 -0.08371 -0.06511 0.10752 155 3PY 0.12294 -0.01636 0.00109 0.03278 0.05313 156 3PZ -0.01244 0.16318 0.01250 -0.06593 -0.02382 157 4XX -0.00701 0.01131 -0.01110 0.00269 -0.00135 158 4YY 0.01259 -0.00557 -0.00003 0.00019 0.00171 159 4ZZ -0.01309 -0.00482 -0.00313 -0.00075 -0.00225 160 4XY 0.00496 -0.01134 0.00070 0.00125 0.00301 161 4XZ -0.00916 0.00702 0.00262 0.00148 -0.00128 162 4YZ -0.00768 -0.00937 0.01358 -0.00464 -0.00212 163 17 H 1S -0.00579 0.01276 0.00897 0.01226 -0.00076 164 2S 0.00554 0.00479 -0.00498 0.02404 0.00972 165 18 H 1S -0.00538 0.00811 0.02075 0.00567 -0.00940 166 2S -0.00261 0.02479 0.03060 -0.00489 -0.01304 167 19 O 1S 0.00841 -0.02341 0.03365 0.00189 0.00926 168 2S -0.03095 0.05396 -0.08565 -0.00925 -0.02010 169 2PX 0.10827 -0.18560 -0.03605 -0.02843 0.01432 170 2PY -0.03173 0.06630 0.06384 -0.00553 0.04340 171 2PZ 0.07011 -0.08071 -0.07377 -0.06529 0.02437 172 3S 0.04043 0.04689 -0.14501 -0.00221 -0.00576 173 3PX 0.05729 -0.09088 -0.00386 -0.02098 0.00217 174 3PY -0.02507 0.04914 0.04535 -0.00213 0.02759 175 3PZ 0.04075 -0.05658 -0.04401 -0.02601 0.01818 176 4XX -0.00823 0.00739 0.00707 -0.00484 -0.00343 177 4YY -0.00050 0.00290 0.00255 0.00001 0.00238 178 4ZZ -0.00487 -0.00969 0.00268 0.00309 -0.00096 179 4XY -0.00340 -0.01056 -0.00459 -0.00132 -0.00224 180 4XZ -0.00310 -0.00128 0.00512 0.00089 -0.00065 181 4YZ -0.00410 -0.00184 -0.00392 -0.00492 -0.00177 182 20 H 1S -0.00457 0.02413 -0.00339 -0.03165 -0.01293 183 2S -0.00982 0.05074 0.00314 -0.05085 -0.02065 184 21 H 1S -0.00206 0.00384 0.01568 0.00285 0.00665 185 2S -0.00740 0.01342 0.02780 -0.00369 0.00430 186 22 H 1S -0.04030 0.00080 -0.06701 -0.00166 -0.02501 187 2S -0.06419 0.00812 -0.06603 0.00133 -0.02217 188 23 H 1S -0.16920 -0.19078 0.13823 -0.01463 -0.04023 189 2S -0.13843 -0.15451 0.05310 0.00285 -0.02942 156 157 158 159 160 156 3PZ 0.09326 157 4XX 0.00336 0.00284 158 4YY -0.00081 -0.00081 0.00124 159 4ZZ -0.00239 -0.00057 -0.00025 0.00166 160 4XY -0.00445 -0.00068 0.00016 0.00042 0.00146 161 4XZ -0.00019 0.00036 -0.00086 0.00048 -0.00038 162 4YZ -0.00057 -0.00059 0.00001 0.00006 0.00045 163 17 H 1S 0.00418 -0.00346 0.00043 0.00137 0.00038 164 2S -0.00720 -0.00561 0.00070 0.00374 0.00106 165 18 H 1S 0.00564 0.00242 0.00013 -0.00360 -0.00183 166 2S 0.01770 0.00650 0.00011 -0.00765 -0.00380 167 19 O 1S 0.00881 -0.00408 0.00187 -0.00015 0.00472 168 2S -0.02161 0.01019 -0.00416 0.00085 -0.01094 169 2PX -0.03341 0.00967 0.00837 -0.01393 0.00471 170 2PY 0.00081 0.01247 -0.01670 0.00483 0.01114 171 2PZ -0.03147 -0.02966 0.00734 0.02319 0.01508 172 3S -0.03622 0.00915 -0.00037 -0.00055 -0.01372 173 3PX -0.00671 0.00838 0.00484 -0.01120 0.00028 174 3PY 0.00144 0.00827 -0.01109 0.00301 0.00645 175 3PZ -0.02934 -0.02041 0.00453 0.01586 0.00910 176 4XX 0.00474 -0.00053 -0.00009 0.00032 -0.00036 177 4YY 0.00049 0.00073 -0.00086 0.00021 0.00086 178 4ZZ -0.00347 -0.00006 0.00012 -0.00011 0.00000 179 4XY -0.00177 0.00044 0.00033 -0.00031 0.00003 180 4XZ -0.00175 0.00015 -0.00020 -0.00014 -0.00023 181 4YZ 0.00035 -0.00104 0.00016 0.00112 0.00036 182 20 H 1S 0.01169 0.00042 -0.00006 -0.00121 -0.00009 183 2S 0.02778 0.00044 -0.00015 -0.00139 -0.00071 184 21 H 1S 0.00496 -0.00012 0.00032 -0.00055 -0.00128 185 2S 0.01380 0.00000 0.00033 -0.00111 -0.00256 186 22 H 1S 0.00188 0.00286 0.00067 0.00200 -0.00225 187 2S -0.00048 0.00382 -0.00248 0.00396 -0.00105 188 23 H 1S -0.06420 -0.01030 -0.00133 0.00728 0.00491 189 2S -0.05323 -0.00710 -0.00114 0.00780 0.00503 161 162 163 164 165 161 4XZ 0.00147 162 4YZ -0.00023 0.00192 163 17 H 1S 0.00037 -0.00170 0.22350 164 2S 0.00177 -0.00353 0.17399 0.16572 165 18 H 1S -0.00183 0.00070 -0.04299 -0.08219 0.22401 166 2S -0.00289 0.00148 -0.08902 -0.12033 0.18439 167 19 O 1S -0.00482 0.00418 0.01026 0.00570 0.00889 168 2S 0.01112 -0.00916 -0.02490 -0.01482 -0.02014 169 2PX -0.02047 0.01404 -0.06499 -0.11691 0.02514 170 2PY 0.01396 0.00988 -0.01387 -0.03139 -0.01451 171 2PZ -0.00360 -0.00087 0.02890 0.07565 -0.07388 172 3S 0.00833 -0.01643 -0.04016 -0.01085 -0.04560 173 3PX -0.01239 0.00876 -0.05426 -0.08762 0.02839 174 3PY 0.00952 0.00552 -0.00600 -0.01562 -0.00974 175 3PZ -0.00057 -0.00239 0.03093 0.06848 -0.06367 176 4XX 0.00026 0.00009 0.00638 0.00588 -0.00188 177 4YY 0.00067 0.00082 -0.00047 -0.00281 0.00010 178 4ZZ -0.00029 0.00035 -0.00214 -0.00286 0.00617 179 4XY -0.00095 0.00054 0.00191 -0.00179 0.00032 180 4XZ 0.00045 0.00007 0.00194 0.00098 0.00215 181 4YZ -0.00013 0.00011 0.00018 0.00080 0.00169 182 20 H 1S 0.00067 0.00002 -0.00241 -0.00706 0.00356 183 2S 0.00051 0.00017 -0.00501 -0.01208 0.00648 184 21 H 1S 0.00051 0.00126 -0.00241 -0.00705 0.00356 185 2S 0.00036 0.00282 -0.00501 -0.01208 0.00648 186 22 H 1S 0.00135 -0.00732 -0.00083 -0.00208 -0.00729 187 2S 0.00287 -0.00649 0.00156 0.00583 -0.01728 188 23 H 1S 0.00219 0.01375 -0.00083 -0.00208 -0.00729 189 2S 0.00106 0.00999 0.00156 0.00583 -0.01727 166 167 168 169 170 166 2S 0.19878 167 19 O 1S 0.00532 2.07557 168 2S -0.01017 -0.17799 0.50359 169 2PX 0.08190 -0.01251 0.02850 0.64791 170 2PY -0.02789 0.03973 -0.07464 -0.02586 0.66562 171 2PZ -0.15916 -0.00478 0.00375 -0.13783 -0.04102 172 3S -0.02896 -0.24523 0.59250 0.04942 -0.21999 173 3PX 0.07369 -0.00938 0.02093 0.40599 -0.03487 174 3PY -0.01831 0.02573 -0.04921 -0.03536 0.42235 175 3PZ -0.12026 -0.00453 0.00464 -0.14600 -0.04619 176 4XX -0.00272 -0.01520 -0.00285 -0.01349 -0.00530 177 4YY -0.00145 -0.01267 -0.00833 0.00249 0.04105 178 4ZZ 0.00636 -0.01397 -0.00547 0.00533 -0.00589 179 4XY 0.00176 -0.00150 0.00344 0.02796 -0.00808 180 4XZ 0.00178 -0.00372 0.00792 -0.00237 0.00090 181 4YZ -0.00307 -0.00139 0.00292 -0.00402 -0.00308 182 20 H 1S 0.00220 -0.00177 0.00219 -0.00117 0.00041 183 2S 0.00729 -0.00270 0.00417 -0.00434 -0.00207 184 21 H 1S 0.00220 0.00058 -0.00069 0.00313 0.00275 185 2S 0.00730 0.00121 -0.00104 0.01766 0.00415 186 22 H 1S -0.01839 -0.00352 0.00990 -0.02878 0.01996 187 2S -0.03271 -0.00324 0.00967 -0.05948 0.04325 188 23 H 1S -0.01839 0.01458 -0.02981 0.01401 0.01735 189 2S -0.03270 0.01572 -0.03188 0.01598 0.02196 171 172 173 174 175 171 2PZ 0.71650 172 3S 0.05273 0.75617 173 3PX -0.15870 0.03229 0.26577 174 3PY -0.03769 -0.14006 -0.03225 0.26980 175 3PZ 0.46280 0.04136 -0.13780 -0.03459 0.30849 176 4XX 0.00322 -0.00421 -0.00785 -0.00286 0.00301 177 4YY -0.00245 -0.01836 0.00029 0.02560 -0.00327 178 4ZZ -0.00731 -0.00646 0.00401 -0.00371 -0.00472 179 4XY -0.00450 0.00490 0.01726 -0.00594 -0.00506 180 4XZ -0.00743 0.00741 -0.00077 0.00087 -0.00424 181 4YZ 0.02923 0.00413 -0.00508 -0.00252 0.01812 182 20 H 1S -0.00143 0.01642 -0.00081 0.00446 -0.00560 183 2S 0.00442 0.01706 -0.00079 0.00283 -0.00444 184 21 H 1S -0.00693 -0.00618 0.00336 0.00131 -0.00539 185 2S -0.02058 -0.01248 0.01546 0.00143 -0.01641 186 22 H 1S -0.00586 0.01898 -0.02013 0.01569 -0.00329 187 2S 0.00657 0.01364 -0.04088 0.03097 0.00722 188 23 H 1S 0.04332 -0.07740 0.00237 0.00922 0.03206 189 2S 0.07308 -0.06866 -0.00174 0.01053 0.04917 176 177 178 179 180 176 4XX 0.00104 177 4YY -0.00033 0.00294 178 4ZZ 0.00002 -0.00023 0.00079 179 4XY -0.00037 -0.00030 0.00034 0.00161 180 4XZ 0.00009 -0.00005 0.00011 -0.00008 0.00045 181 4YZ 0.00023 -0.00015 -0.00019 0.00006 -0.00028 182 20 H 1S 0.00021 -0.00032 -0.00157 -0.00023 0.00065 183 2S 0.00130 -0.00042 -0.00217 -0.00037 0.00047 184 21 H 1S 0.00001 0.00039 0.00029 0.00021 -0.00001 185 2S 0.00042 0.00062 0.00048 0.00079 -0.00008 186 22 H 1S -0.00004 0.00060 -0.00074 0.00076 -0.00092 187 2S 0.00016 0.00203 -0.00140 -0.00066 -0.00084 188 23 H 1S 0.00288 0.00091 0.00570 0.00313 0.00366 189 2S 0.00109 0.00185 0.00403 0.00327 0.00123 181 182 183 184 185 181 4YZ 0.00151 182 20 H 1S 0.00028 0.21529 183 2S 0.00097 0.17308 0.15893 184 21 H 1S 0.00001 -0.03157 -0.03521 0.21529 185 2S -0.00007 -0.03522 -0.03752 0.17308 0.15893 186 22 H 1S 0.00110 0.00248 0.00447 -0.00511 -0.01065 187 2S 0.00143 0.00465 0.00591 -0.00977 -0.01718 188 23 H 1S 0.00319 -0.00511 -0.01065 0.00248 0.00447 189 2S 0.00428 -0.00977 -0.01717 0.00465 0.00591 186 187 188 189 186 22 H 1S 0.21549 187 2S 0.15285 0.12396 188 23 H 1S -0.01120 -0.00665 0.21549 189 2S -0.00665 0.00087 0.15285 0.12396 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05271 2 2S -0.01361 0.32496 3 2PX 0.00000 0.00000 0.36897 4 2PY 0.00000 0.00000 0.00000 0.41335 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.39023 6 3S -0.02961 0.20116 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.10335 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.07887 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.09568 10 4XX -0.00113 -0.00672 0.00000 0.00000 0.00000 11 4YY -0.00134 -0.00218 0.00000 0.00000 0.00000 12 4ZZ -0.00127 -0.00380 0.00000 0.00000 0.00000 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00000 -0.00058 -0.00143 -0.00062 -0.00090 17 2S -0.00054 0.01134 0.02093 0.00935 0.01263 18 2PX -0.00132 0.02022 -0.00057 0.01791 0.03916 19 2PY -0.00067 0.00936 0.01825 -0.00036 0.00745 20 2PZ -0.00092 0.01358 0.03418 0.00932 0.00059 21 3S -0.00055 0.01143 0.02146 0.00590 0.01306 22 3PX -0.00102 0.01277 0.00242 0.00816 0.02061 23 3PY -0.00059 0.00675 0.00702 -0.00073 0.00274 24 3PZ -0.00032 0.00387 0.01528 0.00376 0.00259 25 4XX -0.00004 0.00057 -0.00099 0.00080 0.00133 26 4YY 0.00002 -0.00045 -0.00024 -0.00025 -0.00019 27 4ZZ 0.00000 -0.00019 0.00034 0.00013 -0.00071 28 4XY -0.00008 0.00083 0.00030 -0.00003 0.00116 29 4XZ -0.00011 0.00116 0.00034 0.00095 0.00003 30 4YZ -0.00006 0.00065 0.00116 -0.00001 0.00009 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00004 -0.00005 0.00000 -0.00015 33 2PX 0.00000 -0.00007 0.00000 0.00000 -0.00022 34 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 35 2PZ 0.00000 -0.00017 -0.00033 0.00000 -0.00022 36 3S 0.00004 -0.00076 0.00005 0.00002 -0.00378 37 3PX 0.00004 -0.00064 0.00002 -0.00002 -0.00115 38 3PY 0.00000 0.00004 0.00002 0.00013 0.00009 39 3PZ 0.00012 -0.00216 -0.00313 0.00004 -0.00217 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00004 0.00000 -0.00001 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00001 -0.00001 0.00000 0.00008 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 48 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 49 2PY 0.00000 0.00000 -0.00002 0.00001 0.00000 50 2PZ 0.00000 -0.00001 0.00001 -0.00002 -0.00002 51 3S 0.00002 -0.00039 -0.00025 -0.00036 -0.00016 52 3PX 0.00000 -0.00005 0.00000 -0.00003 -0.00005 53 3PY 0.00001 -0.00022 -0.00053 0.00010 0.00006 54 3PZ 0.00002 -0.00032 0.00017 -0.00075 -0.00016 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00009 -0.00001 -0.00030 -0.00005 63 2PX 0.00000 -0.00011 0.00001 -0.00025 -0.00008 64 2PY 0.00000 -0.00024 -0.00002 -0.00053 -0.00005 65 2PZ 0.00000 -0.00005 -0.00006 -0.00010 0.00000 66 3S 0.00004 -0.00122 -0.00102 -0.00148 -0.00108 67 3PX 0.00004 -0.00090 -0.00004 -0.00124 -0.00095 68 3PY 0.00006 -0.00155 -0.00010 0.00064 -0.00066 69 3PZ 0.00003 -0.00048 -0.00104 -0.00151 -0.00021 70 4XX 0.00000 0.00000 -0.00001 -0.00001 0.00001 71 4YY 0.00000 0.00003 0.00001 0.00014 0.00000 72 4ZZ 0.00000 0.00000 0.00001 -0.00001 0.00000 73 4XY 0.00000 0.00001 0.00000 0.00006 0.00001 74 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 75 4YZ 0.00000 0.00001 0.00001 0.00004 0.00000 76 6 C 1S 0.00000 -0.00047 0.00000 -0.00258 0.00000 77 2S -0.00047 0.00970 0.00000 0.04008 0.00000 78 2PX 0.00000 0.00000 0.01116 0.00000 0.00000 79 2PY -0.00258 0.04008 0.00000 0.09681 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00839 81 3S -0.00027 0.01148 0.00000 0.03098 0.00000 82 3PX 0.00000 0.00000 0.01910 0.00000 0.00000 83 3PY -0.00172 0.02369 0.00000 0.01764 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.01655 85 4XX 0.00000 -0.00042 0.00000 -0.00106 0.00000 86 4YY -0.00026 0.00362 0.00000 0.00223 0.00000 87 4ZZ 0.00000 -0.00047 0.00000 -0.00112 0.00000 88 4XY 0.00000 0.00000 0.00201 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00210 91 7 H 1S -0.00198 0.03084 0.02436 0.02407 0.04946 92 2S -0.00120 0.01190 0.01601 0.01556 0.03424 93 8 H 1S 0.00000 -0.00019 -0.00019 -0.00047 -0.00007 94 2S 0.00019 -0.00267 -0.00256 -0.00651 -0.00039 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00015 -0.00001 0.00002 0.00041 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00000 0.00001 0.00001 -0.00001 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00013 0.00003 0.00051 0.00001 101 12 H 1S 0.00000 -0.00017 -0.00007 -0.00057 -0.00007 102 2S 0.00019 -0.00265 -0.00091 -0.00839 -0.00152 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 105 2PX 0.00000 -0.00002 -0.00008 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00001 -0.00022 -0.00141 0.00000 -0.00006 109 3PX 0.00004 -0.00065 -0.00046 0.00000 0.00001 110 3PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 111 3PZ 0.00000 -0.00006 -0.00019 0.00000 -0.00011 112 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 -0.00003 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 -0.00005 -0.00055 -0.00007 -0.00003 154 3PX 0.00000 -0.00017 -0.00188 -0.00021 -0.00012 155 3PY 0.00000 -0.00002 0.00051 0.00001 0.00004 156 3PZ 0.00000 0.00000 -0.00014 -0.00002 0.00020 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 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 0.00000 0.00001 -0.00002 -0.00001 0.00010 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 185 2S 0.00000 -0.00006 0.00013 0.00000 -0.00054 186 22 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 187 2S 0.00000 -0.00003 -0.00048 0.00002 -0.00005 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00011 0.00000 0.00003 6 7 8 9 10 6 3S 0.25010 7 3PX 0.00000 0.11999 8 3PY 0.00000 0.00000 0.06237 9 3PZ 0.00000 0.00000 0.00000 0.09330 10 4XX -0.00354 0.00000 0.00000 0.00000 0.00092 11 4YY -0.00196 0.00000 0.00000 0.00000 -0.00008 12 4ZZ -0.00155 0.00000 0.00000 0.00000 0.00007 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00070 -0.00061 -0.00036 0.00035 -0.00003 17 2S 0.00574 0.01224 0.00249 0.00196 0.00050 18 2PX 0.00750 0.00366 0.01210 0.01595 -0.00076 19 2PY 0.01237 0.00805 0.00132 0.00065 0.00066 20 2PZ 0.00722 0.01437 0.00369 0.00349 0.00099 21 3S -0.01475 0.01146 0.00031 0.00069 0.00113 22 3PX -0.00312 0.01822 0.01057 0.01516 -0.00122 23 3PY 0.00540 0.00359 0.00090 -0.00047 0.00038 24 3PZ 0.00232 0.01266 -0.00004 0.01140 0.00142 25 4XX 0.00123 -0.00161 0.00080 0.00174 -0.00002 26 4YY -0.00158 -0.00022 -0.00043 -0.00022 -0.00004 27 4ZZ 0.00062 0.00152 -0.00031 -0.00113 0.00005 28 4XY 0.00021 0.00001 0.00000 0.00013 -0.00003 29 4XZ 0.00039 -0.00002 0.00016 0.00002 -0.00001 30 4YZ 0.00020 0.00018 -0.00002 0.00003 0.00000 31 3 C 1S 0.00002 0.00001 0.00000 0.00012 0.00000 32 2S -0.00042 0.00002 -0.00003 -0.00177 0.00000 33 2PX -0.00083 0.00015 -0.00008 -0.00219 0.00000 34 2PY -0.00002 -0.00002 0.00019 0.00001 0.00000 35 2PZ -0.00011 -0.00079 -0.00014 0.00070 0.00001 36 3S 0.00248 0.00384 -0.00018 -0.00950 0.00010 37 3PX -0.00096 0.00004 -0.00014 -0.00300 0.00000 38 3PY 0.00009 -0.00003 0.00105 0.00013 0.00000 39 3PZ 0.00151 -0.00198 -0.00016 0.00127 0.00004 40 4XX 0.00006 -0.00008 0.00001 0.00026 0.00000 41 4YY -0.00007 -0.00007 0.00000 -0.00002 0.00000 42 4ZZ 0.00005 0.00033 -0.00001 -0.00022 0.00000 43 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 44 4XZ 0.00006 -0.00006 0.00001 0.00029 0.00000 45 4YZ 0.00000 0.00000 -0.00005 0.00000 0.00000 46 4 C 1S 0.00001 0.00000 0.00001 0.00001 0.00000 47 2S -0.00036 0.00006 -0.00018 -0.00042 0.00000 48 2PX -0.00014 0.00004 -0.00033 -0.00003 0.00000 49 2PY -0.00023 -0.00038 0.00008 0.00010 0.00000 50 2PZ -0.00137 -0.00006 -0.00076 -0.00117 0.00000 51 3S -0.00468 -0.00148 -0.00260 -0.00055 -0.00002 52 3PX -0.00064 0.00000 -0.00082 0.00000 -0.00001 53 3PY -0.00149 -0.00158 0.00001 0.00079 -0.00003 54 3PZ -0.00522 -0.00027 -0.00249 -0.00211 0.00001 55 4XX 0.00004 0.00001 0.00003 0.00004 0.00000 56 4YY 0.00001 0.00001 0.00003 -0.00005 0.00000 57 4ZZ -0.00005 -0.00002 -0.00009 0.00001 0.00000 58 4XY -0.00001 0.00000 0.00001 -0.00001 0.00000 59 4XZ 0.00000 0.00001 0.00001 -0.00002 0.00000 60 4YZ 0.00001 0.00000 0.00001 0.00003 0.00000 61 5 C 1S -0.00002 -0.00006 0.00010 -0.00004 0.00000 62 2S -0.00118 0.00040 -0.00274 -0.00007 0.00000 63 2PX 0.00136 -0.00041 0.00143 0.00025 0.00000 64 2PY -0.00557 -0.00006 -0.00579 0.00006 0.00000 65 2PZ 0.00025 -0.00025 -0.00045 -0.00044 0.00000 66 3S -0.00157 -0.00090 -0.00347 -0.00043 0.00000 67 3PX 0.00466 -0.00293 0.00394 -0.00051 0.00010 68 3PY -0.00670 0.00027 -0.00164 -0.00011 0.00004 69 3PZ -0.00143 -0.00242 -0.00328 -0.00241 -0.00007 70 4XX -0.00002 -0.00013 -0.00004 0.00017 0.00000 71 4YY 0.00046 0.00005 0.00070 -0.00004 0.00000 72 4ZZ -0.00017 0.00010 -0.00027 -0.00007 0.00000 73 4XY 0.00008 0.00000 0.00010 0.00004 0.00000 74 4XZ -0.00002 -0.00001 -0.00001 0.00001 0.00000 75 4YZ 0.00005 0.00005 0.00006 0.00000 0.00000 76 6 C 1S -0.00027 0.00000 -0.00172 0.00000 0.00000 77 2S 0.01148 0.00000 0.02369 0.00000 -0.00042 78 2PX 0.00000 0.01910 0.00000 0.00000 0.00000 79 2PY 0.03098 0.00000 0.01764 0.00000 -0.00106 80 2PZ 0.00000 0.00000 0.00000 0.01655 0.00000 81 3S -0.00963 0.00000 0.00844 0.00000 -0.00148 82 3PX 0.00000 0.02602 0.00000 0.00000 0.00000 83 3PY 0.00844 0.00000 0.00146 0.00000 -0.00163 84 3PZ 0.00000 0.00000 0.00000 0.02467 0.00000 85 4XX -0.00148 0.00000 -0.00163 0.00000 0.00001 86 4YY 0.00401 0.00000 0.00113 0.00000 -0.00004 87 4ZZ -0.00135 0.00000 -0.00110 0.00000 0.00001 88 4XY 0.00000 0.00097 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00084 0.00000 91 7 H 1S 0.04347 0.00828 0.01001 0.02191 -0.00039 92 2S 0.03825 0.00516 0.00740 0.02134 0.00026 93 8 H 1S -0.00450 -0.00158 -0.00036 -0.00043 -0.00001 94 2S -0.01535 -0.00582 -0.00203 -0.00017 -0.00026 95 9 H 1S 0.00005 -0.00005 0.00005 0.00015 0.00000 96 2S 0.00079 -0.00100 0.00047 0.00247 -0.00001 97 10 H 1S 0.00001 0.00001 0.00002 0.00000 0.00000 98 2S 0.00036 0.00036 0.00040 -0.00010 0.00000 99 11 H 1S 0.00015 0.00000 0.00033 0.00000 0.00000 100 2S 0.00219 0.00018 0.00392 -0.00004 0.00000 101 12 H 1S -0.00417 0.00012 -0.00334 0.00019 0.00000 102 2S -0.01700 0.00059 -0.01421 -0.00033 0.00011 103 13 C 1S 0.00001 0.00006 0.00000 0.00000 0.00000 104 2S -0.00029 -0.00144 0.00000 -0.00004 0.00000 105 2PX 0.00030 -0.00169 0.00000 -0.00016 0.00001 106 2PY 0.00000 -0.00001 -0.00003 0.00000 0.00000 107 2PZ -0.00001 -0.00008 0.00000 0.00001 0.00000 108 3S -0.00022 -0.00786 0.00001 -0.00039 0.00005 109 3PX 0.00035 -0.00258 0.00001 -0.00020 0.00034 110 3PY 0.00000 -0.00002 -0.00005 0.00000 0.00000 111 3PZ 0.00006 -0.00044 0.00000 0.00051 0.00003 112 4XX -0.00004 0.00027 0.00000 0.00003 0.00000 113 4YY 0.00001 -0.00003 0.00000 0.00000 0.00000 114 4ZZ 0.00001 -0.00001 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 116 4XZ 0.00000 0.00002 0.00000 -0.00001 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00024 0.00001 -0.00003 0.00000 124 3PX 0.00008 0.00030 0.00004 0.00002 0.00000 125 3PY -0.00002 -0.00003 0.00001 0.00000 0.00000 126 3PZ -0.00003 -0.00005 0.00000 0.00003 0.00000 127 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S -0.00001 -0.00004 0.00000 0.00000 0.00000 139 3PX 0.00000 -0.00003 0.00000 0.00001 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 -0.00005 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 149 2S 0.00003 -0.00038 -0.00004 -0.00003 0.00000 150 2PX -0.00037 -0.00238 -0.00037 -0.00012 0.00000 151 2PY 0.00000 0.00019 -0.00001 0.00002 0.00000 152 2PZ -0.00002 -0.00018 -0.00002 0.00015 0.00000 153 3S -0.00076 -0.00413 -0.00081 -0.00023 0.00000 154 3PX -0.00191 -0.00956 -0.00165 -0.00061 0.00000 155 3PY -0.00001 0.00282 0.00000 0.00017 0.00000 156 3PZ -0.00021 -0.00096 -0.00014 0.00122 0.00000 157 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 158 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 159 4ZZ 0.00001 0.00003 0.00000 0.00000 0.00000 160 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 161 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00001 0.00000 0.00000 0.00000 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S -0.00001 -0.00005 0.00000 0.00001 0.00000 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00002 0.00006 0.00001 0.00000 0.00000 173 3PX 0.00004 0.00032 0.00005 -0.00003 0.00000 174 3PY 0.00001 0.00002 0.00000 0.00001 0.00000 175 3PZ 0.00000 -0.00004 0.00000 -0.00001 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00004 0.00000 -0.00002 0.00010 0.00000 183 2S 0.00052 -0.00015 -0.00030 0.00142 0.00000 184 21 H 1S -0.00011 0.00013 -0.00002 -0.00097 0.00000 185 2S -0.00081 0.00059 -0.00011 -0.00406 0.00002 186 22 H 1S -0.00008 -0.00081 0.00003 -0.00026 0.00000 187 2S -0.00017 -0.00194 0.00021 -0.00063 -0.00004 188 23 H 1S 0.00002 0.00006 0.00002 0.00000 0.00000 189 2S 0.00017 0.00120 0.00023 0.00028 0.00000 11 12 13 14 15 11 4YY 0.00114 12 4ZZ -0.00006 0.00089 13 4XY 0.00000 0.00000 0.00095 14 4XZ 0.00000 0.00000 0.00000 0.00067 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00117 16 2 C 1S 0.00001 0.00000 -0.00008 -0.00009 -0.00007 17 2S -0.00046 0.00001 0.00083 0.00096 0.00068 18 2PX -0.00034 0.00041 0.00020 0.00031 0.00124 19 2PY -0.00027 0.00025 -0.00002 0.00105 -0.00001 20 2PZ -0.00033 -0.00055 0.00121 -0.00005 0.00005 21 3S -0.00076 -0.00044 0.00045 0.00026 0.00036 22 3PX 0.00008 0.00087 0.00000 -0.00001 0.00030 23 3PY -0.00056 -0.00013 0.00002 0.00009 0.00001 24 3PZ -0.00054 -0.00080 0.00025 0.00002 0.00004 25 4XX -0.00003 0.00002 0.00000 0.00000 -0.00007 26 4YY 0.00004 -0.00006 0.00000 -0.00010 0.00000 27 4ZZ -0.00005 0.00002 -0.00010 0.00001 -0.00002 28 4XY 0.00000 -0.00005 0.00001 0.00000 0.00001 29 4XZ -0.00005 0.00001 -0.00001 0.00003 0.00000 30 4YZ 0.00000 -0.00002 0.00000 0.00000 0.00000 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 0.00001 0.00000 0.00001 0.00000 33 2PX 0.00000 0.00002 0.00000 0.00001 0.00000 34 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 35 2PZ 0.00000 0.00006 0.00000 0.00005 0.00000 36 3S -0.00012 0.00019 0.00000 0.00008 -0.00001 37 3PX -0.00003 0.00015 0.00000 0.00001 0.00000 38 3PY 0.00000 -0.00001 -0.00003 0.00000 -0.00001 39 3PZ -0.00015 0.00050 -0.00001 0.00018 0.00000 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00000 0.00000 0.00000 0.00000 48 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 49 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 0.00003 0.00003 0.00000 -0.00001 -0.00004 52 3PX 0.00000 0.00001 0.00000 0.00000 -0.00001 53 3PY 0.00004 -0.00002 0.00000 -0.00002 0.00001 54 3PZ -0.00002 0.00003 -0.00003 0.00000 -0.00001 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00002 0.00000 0.00002 0.00000 0.00001 63 2PX 0.00001 0.00000 0.00000 0.00000 0.00005 64 2PY 0.00006 0.00000 0.00006 0.00000 0.00002 65 2PZ 0.00002 0.00000 0.00004 0.00000 0.00000 66 3S 0.00009 0.00005 0.00014 0.00000 0.00009 67 3PX -0.00006 -0.00002 0.00001 0.00000 0.00018 68 3PY 0.00012 0.00000 0.00014 0.00001 0.00006 69 3PZ 0.00006 0.00005 0.00012 0.00000 0.00002 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.00026 0.00000 0.00000 0.00000 0.00000 77 2S 0.00362 -0.00047 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00000 0.00201 0.00000 0.00000 79 2PY 0.00223 -0.00112 0.00000 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00210 81 3S 0.00401 -0.00135 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 0.00097 0.00000 0.00000 83 3PY 0.00113 -0.00110 0.00000 0.00000 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00084 85 4XX -0.00004 0.00001 0.00000 0.00000 0.00000 86 4YY -0.00008 -0.00004 0.00000 0.00000 0.00000 87 4ZZ -0.00004 0.00002 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 -0.00012 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00022 91 7 H 1S -0.00082 0.00160 0.00114 0.00172 0.00226 92 2S -0.00135 0.00254 0.00027 0.00030 0.00052 93 8 H 1S 0.00009 -0.00001 0.00004 -0.00001 0.00002 94 2S 0.00097 -0.00025 0.00009 -0.00008 0.00008 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S -0.00001 -0.00001 -0.00001 0.00000 0.00000 101 12 H 1S 0.00002 0.00000 0.00003 0.00000 0.00005 102 2S -0.00017 0.00014 0.00012 0.00000 0.00026 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S -0.00002 0.00000 0.00000 0.00000 0.00000 109 3PX -0.00007 -0.00009 0.00000 0.00000 0.00000 110 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 111 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 -0.00001 0.00000 0.00000 154 3PX -0.00001 0.00000 0.00001 0.00000 0.00000 155 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 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 0.00000 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 -0.00004 0.00000 -0.00001 -0.00001 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00002 -0.00001 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 2 C 1S 2.05499 17 2S -0.01344 0.32633 18 2PX 0.00000 0.00000 0.35440 19 2PY 0.00000 0.00000 0.00000 0.41151 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.38399 21 3S -0.03645 0.23613 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.11188 0.00000 0.00000 23 3PY 0.00000 0.00000 0.00000 0.07408 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.09697 25 4XX -0.00090 -0.00921 0.00000 0.00000 0.00000 26 4YY -0.00145 0.00112 0.00000 0.00000 0.00000 27 4ZZ -0.00111 -0.00519 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 -0.00019 -0.00012 -0.00024 -0.00095 32 2S -0.00020 0.00510 0.00225 0.00424 0.01884 33 2PX -0.00009 0.00177 0.00002 0.00094 0.00648 34 2PY -0.00019 0.00372 0.00070 -0.00061 0.01258 35 2PZ -0.00117 0.02397 0.00789 0.01391 0.04482 36 3S 0.00013 0.00692 0.00564 0.00982 0.01743 37 3PX -0.00008 0.00179 0.00000 0.00068 0.00365 38 3PY -0.00024 0.00226 0.00058 0.00034 0.00760 39 3PZ -0.00127 0.01980 0.00425 0.00822 0.01548 40 4XX 0.00000 -0.00030 0.00003 -0.00007 -0.00038 41 4YY 0.00000 -0.00018 -0.00003 -0.00006 -0.00029 42 4ZZ -0.00007 0.00165 0.00057 0.00108 0.00023 43 4XY 0.00000 0.00007 0.00004 0.00000 0.00021 44 4XZ -0.00002 0.00039 0.00047 0.00020 0.00058 45 4YZ -0.00005 0.00083 0.00023 0.00005 0.00129 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00002 0.00000 -0.00008 -0.00005 48 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 49 2PY 0.00000 -0.00011 0.00000 -0.00027 -0.00017 50 2PZ 0.00000 -0.00004 0.00000 -0.00004 -0.00006 51 3S 0.00000 -0.00058 -0.00039 -0.00336 0.00006 52 3PX 0.00000 -0.00008 0.00020 -0.00018 0.00002 53 3PY 0.00009 -0.00203 -0.00020 -0.00450 -0.00131 54 3PZ 0.00000 -0.00047 -0.00018 -0.00023 -0.00028 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 57 4ZZ 0.00000 0.00000 0.00000 -0.00001 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 0.00001 0.00000 0.00003 0.00002 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00002 0.00000 -0.00007 0.00000 63 2PX 0.00000 0.00000 -0.00004 0.00000 0.00000 64 2PY 0.00000 -0.00007 0.00000 -0.00020 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 66 3S 0.00007 -0.00089 0.00000 -0.00117 0.00000 67 3PX 0.00000 0.00000 -0.00148 0.00000 0.00000 68 3PY 0.00011 -0.00067 0.00000 0.00120 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00097 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00009 -0.00011 -0.00024 -0.00005 78 2PX 0.00000 -0.00001 0.00001 -0.00002 -0.00006 79 2PY 0.00000 -0.00030 -0.00025 -0.00053 -0.00010 80 2PZ 0.00000 -0.00005 -0.00008 -0.00005 0.00000 81 3S -0.00002 -0.00118 0.00136 -0.00557 0.00025 82 3PX -0.00006 0.00040 -0.00041 -0.00006 -0.00025 83 3PY 0.00010 -0.00274 0.00143 -0.00579 -0.00045 84 3PZ -0.00004 -0.00007 0.00025 0.00006 -0.00044 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00002 0.00001 0.00006 0.00002 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00002 0.00000 0.00006 0.00004 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00001 0.00005 0.00002 0.00000 91 7 H 1S 0.00000 -0.00020 -0.00035 0.00000 -0.00037 92 2S 0.00026 -0.00342 -0.00577 0.00001 -0.00550 93 8 H 1S -0.00196 0.03098 0.00105 0.09692 0.00069 94 2S -0.00121 0.01237 0.00024 0.06457 0.00048 95 9 H 1S 0.00000 -0.00015 -0.00026 0.00000 -0.00029 96 2S 0.00020 -0.00288 -0.00584 -0.00011 -0.00246 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00009 0.00011 0.00015 0.00006 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00002 0.00000 0.00006 0.00000 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00013 0.00023 0.00019 0.00011 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 -0.00008 0.00013 0.00001 0.00005 105 2PX 0.00000 0.00003 0.00204 0.00028 0.00071 106 2PY 0.00000 -0.00002 0.00020 -0.00001 0.00004 107 2PZ 0.00000 0.00007 0.00111 0.00010 0.00022 108 3S 0.00016 -0.00065 0.00234 0.00090 -0.00066 109 3PX 0.00003 -0.00040 0.00812 0.00149 0.00513 110 3PY 0.00000 -0.00033 0.00105 0.00026 0.00060 111 3PZ 0.00004 0.00025 0.00632 0.00056 0.00003 112 4XX 0.00000 0.00003 0.00012 0.00002 0.00006 113 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 114 4ZZ 0.00000 0.00000 -0.00003 0.00000 -0.00001 115 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 116 4XZ 0.00000 0.00002 0.00007 0.00001 0.00001 117 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 -0.00009 0.00000 0.00001 124 3PX 0.00000 -0.00011 -0.00099 -0.00002 -0.00003 125 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 126 3PZ 0.00000 -0.00001 -0.00009 0.00000 0.00005 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00002 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 -0.00020 -0.00015 -0.00051 0.00013 154 3PX 0.00001 -0.00047 -0.00029 -0.00024 -0.00025 155 3PY -0.00001 0.00003 -0.00009 -0.00035 0.00017 156 3PZ 0.00000 -0.00022 -0.00033 -0.00015 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00003 0.00000 -0.00001 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 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 0.00000 0.00006 0.00001 0.00010 0.00023 184 21 H 1S 0.00000 -0.00019 0.00001 -0.00001 -0.00045 185 2S 0.00018 -0.00332 -0.00013 -0.00012 -0.00666 186 22 H 1S 0.00000 -0.00002 -0.00005 0.00000 -0.00004 187 2S 0.00003 -0.00065 -0.00108 0.00000 -0.00122 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00002 0.00003 0.00003 0.00003 21 22 23 24 25 21 3S 0.30063 22 3PX 0.00000 0.12487 23 3PY 0.00000 0.00000 0.05321 24 3PZ 0.00000 0.00000 0.00000 0.09659 25 4XX -0.00711 0.00000 0.00000 0.00000 0.00149 26 4YY 0.00243 0.00000 0.00000 0.00000 -0.00017 27 4ZZ -0.00427 0.00000 0.00000 0.00000 0.00002 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 -0.00008 -0.00013 -0.00030 -0.00056 0.00000 32 2S 0.00439 0.00144 0.00327 0.01093 -0.00025 33 2PX 0.00232 0.00002 0.00013 0.00151 0.00003 34 2PY 0.00318 0.00032 -0.00170 0.00724 -0.00003 35 2PZ 0.02221 0.00379 0.00268 0.01200 -0.00056 36 3S 0.00012 0.00757 0.00649 -0.00033 -0.00076 37 3PX 0.00180 -0.00074 -0.00003 0.00122 -0.00020 38 3PY 0.00225 0.00009 -0.00189 0.00562 -0.00013 39 3PZ 0.01207 0.00263 0.00065 0.00190 -0.00046 40 4XX -0.00096 -0.00026 0.00001 0.00003 0.00002 41 4YY -0.00038 -0.00014 -0.00034 -0.00005 0.00000 42 4ZZ 0.00238 0.00065 0.00048 -0.00049 -0.00005 43 4XY 0.00004 0.00006 0.00001 0.00003 0.00000 44 4XZ 0.00013 0.00053 0.00001 0.00015 0.00000 45 4YZ 0.00035 0.00005 0.00023 0.00018 -0.00002 46 4 C 1S 0.00002 0.00001 0.00005 0.00001 0.00000 47 2S -0.00040 -0.00009 -0.00095 -0.00046 0.00000 48 2PX -0.00011 -0.00004 0.00000 0.00006 0.00000 49 2PY -0.00123 -0.00020 -0.00108 -0.00158 0.00000 50 2PZ 0.00017 -0.00019 0.00178 -0.00044 0.00000 51 3S -0.00142 -0.00184 -0.00547 0.00200 -0.00002 52 3PX -0.00033 0.00051 -0.00014 0.00022 0.00000 53 3PY -0.00425 -0.00083 -0.00385 -0.00215 -0.00003 54 3PZ 0.00049 -0.00062 0.00275 -0.00015 -0.00003 55 4XX 0.00001 0.00001 -0.00005 0.00000 0.00000 56 4YY 0.00002 0.00003 0.00004 -0.00010 0.00000 57 4ZZ -0.00002 -0.00004 0.00006 0.00006 0.00000 58 4XY 0.00001 0.00002 0.00000 0.00001 0.00000 59 4XZ 0.00000 -0.00002 0.00000 -0.00001 0.00000 60 4YZ 0.00005 0.00002 0.00002 0.00007 0.00000 61 5 C 1S 0.00007 0.00000 0.00011 0.00000 0.00000 62 2S -0.00089 0.00000 -0.00067 0.00000 0.00000 63 2PX 0.00000 -0.00148 0.00000 0.00000 0.00000 64 2PY -0.00117 0.00000 0.00120 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 -0.00097 0.00000 66 3S -0.00468 0.00000 -0.00138 0.00000 0.00001 67 3PX 0.00000 -0.00748 0.00000 0.00000 0.00000 68 3PY -0.00138 0.00000 0.00481 0.00000 -0.00001 69 3PZ 0.00000 0.00000 0.00000 -0.00447 0.00000 70 4XX 0.00001 0.00000 -0.00001 0.00000 0.00000 71 4YY 0.00002 0.00000 -0.00005 0.00000 0.00000 72 4ZZ 0.00001 0.00000 0.00001 0.00000 0.00000 73 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 -0.00003 0.00000 76 6 C 1S 0.00004 0.00004 0.00006 0.00003 0.00000 77 2S -0.00122 -0.00090 -0.00155 -0.00048 0.00000 78 2PX -0.00102 -0.00004 -0.00010 -0.00104 -0.00001 79 2PY -0.00147 -0.00124 0.00064 -0.00151 -0.00001 80 2PZ -0.00108 -0.00095 -0.00066 -0.00021 0.00001 81 3S -0.00157 0.00466 -0.00670 -0.00143 -0.00002 82 3PX -0.00090 -0.00292 0.00027 -0.00242 -0.00013 83 3PY -0.00347 0.00394 -0.00164 -0.00328 -0.00004 84 3PZ -0.00043 -0.00051 -0.00011 -0.00241 0.00017 85 4XX 0.00000 0.00010 0.00004 -0.00007 0.00000 86 4YY 0.00009 -0.00006 0.00012 0.00006 0.00000 87 4ZZ 0.00005 -0.00002 0.00000 0.00005 0.00000 88 4XY 0.00014 0.00001 0.00014 0.00012 0.00000 89 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 90 4YZ 0.00009 0.00018 0.00006 0.00002 0.00000 91 7 H 1S -0.00410 -0.00228 -0.00011 -0.00102 0.00002 92 2S -0.01509 -0.01064 -0.00027 -0.00394 0.00015 93 8 H 1S 0.04240 0.00025 0.04297 0.00017 -0.00103 94 2S 0.02340 -0.00063 0.04178 -0.00011 -0.00176 95 9 H 1S -0.00231 -0.00206 0.00009 0.00032 0.00003 96 2S -0.01153 -0.01242 -0.00013 0.00542 0.00057 97 10 H 1S 0.00004 0.00005 -0.00005 0.00002 0.00000 98 2S 0.00041 0.00089 -0.00025 -0.00010 0.00000 99 11 H 1S 0.00000 0.00000 -0.00003 0.00000 0.00000 100 2S 0.00020 0.00003 -0.00016 0.00001 0.00000 101 12 H 1S 0.00011 0.00012 0.00006 0.00007 0.00000 102 2S 0.00169 0.00167 0.00108 0.00063 0.00000 103 13 C 1S 0.00004 0.00004 -0.00002 -0.00005 0.00000 104 2S 0.00014 -0.00038 0.00039 0.00064 0.00003 105 2PX 0.00061 0.00776 0.00085 0.00475 0.00009 106 2PY 0.00007 0.00087 -0.00007 0.00059 0.00003 107 2PZ 0.00128 0.00549 0.00059 0.00007 0.00004 108 3S 0.00126 0.00244 0.00172 0.00107 0.00037 109 3PX 0.00341 0.01261 0.00220 0.01182 0.00046 110 3PY 0.00015 0.00214 -0.00001 0.00151 0.00013 111 3PZ 0.00207 0.01154 0.00088 -0.00216 0.00026 112 4XX 0.00056 0.00070 0.00021 0.00048 -0.00001 113 4YY -0.00011 -0.00015 -0.00003 -0.00009 0.00000 114 4ZZ -0.00023 -0.00026 -0.00012 -0.00012 0.00000 115 4XY -0.00001 0.00006 0.00004 0.00003 0.00000 116 4XZ 0.00006 0.00018 0.00002 0.00001 0.00000 117 4YZ 0.00000 0.00007 0.00001 0.00000 0.00000 118 14 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 119 2S 0.00004 0.00008 0.00001 -0.00002 0.00000 120 2PX -0.00039 -0.00078 -0.00007 -0.00008 0.00000 121 2PY -0.00002 0.00002 0.00001 0.00000 0.00000 122 2PZ -0.00005 -0.00006 -0.00001 0.00011 0.00000 123 3S 0.00004 0.00079 0.00005 -0.00007 -0.00001 124 3PX -0.00341 -0.00509 -0.00042 -0.00053 0.00003 125 3PY -0.00013 0.00011 0.00010 -0.00002 0.00000 126 3PZ -0.00044 -0.00047 -0.00005 0.00119 0.00000 127 4XX -0.00002 0.00010 0.00000 0.00001 0.00000 128 4YY 0.00002 -0.00003 0.00000 0.00000 0.00000 129 4ZZ 0.00000 -0.00005 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00001 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00002 0.00001 0.00001 -0.00001 0.00000 136 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00009 0.00016 0.00004 -0.00002 0.00000 139 3PX 0.00002 -0.00008 -0.00005 -0.00002 0.00000 140 3PY -0.00005 -0.00006 0.00000 0.00000 0.00000 141 3PZ 0.00002 0.00004 0.00002 0.00010 0.00000 142 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 149 2S -0.00008 -0.00017 -0.00005 -0.00007 0.00000 150 2PX 0.00018 -0.00033 0.00062 0.00000 0.00000 151 2PY -0.00011 -0.00054 -0.00002 -0.00031 0.00000 152 2PZ 0.00003 -0.00033 0.00023 0.00000 0.00000 153 3S -0.00008 -0.00065 -0.00001 0.00038 0.00004 154 3PX 0.00010 -0.00161 0.00159 -0.00078 0.00010 155 3PY -0.00080 0.00022 -0.00060 -0.00008 -0.00008 156 3PZ 0.00043 -0.00177 0.00093 -0.00006 0.00007 157 4XX 0.00001 -0.00002 0.00002 -0.00001 0.00000 158 4YY 0.00001 0.00000 0.00001 0.00000 0.00000 159 4ZZ -0.00001 0.00001 -0.00002 0.00000 0.00000 160 4XY 0.00001 0.00007 0.00002 0.00004 0.00000 161 4XZ 0.00000 -0.00002 0.00001 0.00000 0.00000 162 4YZ 0.00001 0.00005 0.00001 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00003 -0.00003 -0.00002 0.00000 0.00000 165 18 H 1S 0.00001 0.00001 0.00001 0.00000 0.00000 166 2S 0.00037 0.00025 0.00025 -0.00019 0.00000 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 169 2PX 0.00000 0.00001 -0.00001 0.00000 0.00000 170 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S -0.00007 -0.00005 -0.00008 -0.00001 0.00000 173 3PX -0.00007 0.00013 -0.00022 0.00000 0.00000 174 3PY -0.00007 0.00009 -0.00003 0.00000 0.00000 175 3PZ -0.00001 0.00000 -0.00002 0.00002 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S -0.00001 0.00000 -0.00011 0.00024 0.00000 183 2S 0.00004 0.00006 -0.00014 0.00192 0.00001 184 21 H 1S -0.00122 -0.00012 0.00015 -0.00578 0.00000 185 2S -0.00380 -0.00091 0.00030 -0.01806 -0.00007 186 22 H 1S -0.00059 -0.00157 0.00000 -0.00084 0.00000 187 2S -0.00383 -0.00490 -0.00003 -0.00395 0.00006 188 23 H 1S 0.00000 0.00004 -0.00001 0.00002 0.00000 189 2S 0.00009 0.00051 -0.00013 0.00041 0.00000 26 27 28 29 30 26 4YY 0.00186 27 4ZZ -0.00024 0.00145 28 4XY 0.00000 0.00000 0.00042 29 4XZ 0.00000 0.00000 0.00000 0.00069 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00065 31 3 C 1S 0.00001 -0.00008 0.00000 -0.00002 -0.00004 32 2S -0.00028 0.00173 0.00008 0.00027 0.00071 33 2PX -0.00004 0.00057 0.00002 0.00055 0.00018 34 2PY -0.00005 0.00113 0.00000 0.00016 0.00007 35 2PZ -0.00047 -0.00015 0.00023 0.00036 0.00127 36 3S -0.00147 0.00324 0.00007 0.00015 0.00038 37 3PX -0.00007 0.00038 0.00002 0.00045 0.00004 38 3PY -0.00035 0.00081 0.00000 0.00003 0.00015 39 3PZ -0.00095 0.00011 0.00007 0.00003 0.00018 40 4XX -0.00001 0.00000 0.00000 0.00000 -0.00003 41 4YY 0.00002 -0.00008 0.00000 -0.00001 0.00000 42 4ZZ -0.00006 0.00007 0.00000 -0.00001 -0.00002 43 4XY 0.00000 0.00001 0.00000 0.00002 0.00000 44 4XZ -0.00001 -0.00007 0.00001 -0.00005 0.00001 45 4YZ 0.00000 -0.00007 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00001 0.00000 0.00000 0.00000 0.00001 48 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 49 2PY 0.00005 -0.00001 0.00000 0.00000 0.00005 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 0.00026 -0.00011 0.00001 0.00000 0.00006 52 3PX 0.00001 0.00000 0.00000 -0.00001 0.00000 53 3PY 0.00058 -0.00029 0.00001 -0.00001 0.00017 54 3PZ 0.00000 0.00001 0.00000 0.00000 0.00001 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.00002 0.00001 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 -0.00002 0.00000 0.00000 68 3PY -0.00005 0.00001 0.00000 0.00000 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00003 0.00000 0.00001 0.00000 0.00001 78 2PX 0.00001 0.00001 0.00000 0.00000 0.00001 79 2PY 0.00014 -0.00001 0.00006 -0.00001 0.00004 80 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 81 3S 0.00046 -0.00017 0.00008 -0.00002 0.00005 82 3PX 0.00005 0.00010 0.00000 -0.00001 0.00005 83 3PY 0.00070 -0.00027 0.00010 -0.00001 0.00006 84 3PZ -0.00004 -0.00007 0.00004 0.00001 0.00000 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S -0.00001 0.00006 0.00000 0.00005 0.00000 92 2S -0.00035 0.00070 -0.00002 0.00009 -0.00002 93 8 H 1S 0.00754 -0.00119 0.00009 0.00001 0.00008 94 2S 0.00684 -0.00308 0.00002 0.00000 0.00001 95 9 H 1S 0.00000 0.00001 0.00000 0.00008 0.00000 96 2S -0.00014 -0.00023 -0.00001 0.00030 -0.00002 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S -0.00001 0.00001 0.00000 0.00000 0.00000 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S -0.00002 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00002 0.00000 105 2PX -0.00001 0.00000 0.00003 0.00009 0.00001 106 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 107 2PZ 0.00000 0.00000 0.00001 0.00001 0.00000 108 3S -0.00017 -0.00001 0.00003 0.00009 0.00000 109 3PX -0.00022 0.00002 0.00005 0.00022 0.00004 110 3PY 0.00000 -0.00004 0.00000 0.00006 0.00000 111 3PZ -0.00007 -0.00001 0.00005 0.00001 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00002 -0.00002 0.00000 0.00001 0.00000 154 3PX -0.00002 -0.00004 0.00002 0.00001 0.00000 155 3PY 0.00003 0.00001 0.00000 -0.00001 0.00000 156 3PZ -0.00001 -0.00002 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 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 -0.00002 0.00000 0.00000 0.00000 -0.00001 184 21 H 1S 0.00000 0.00014 0.00000 0.00002 0.00000 185 2S -0.00012 0.00070 0.00000 0.00008 -0.00003 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00002 0.00003 0.00000 0.00002 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 2.05092 32 2S -0.01170 0.30682 33 2PX 0.00000 0.00000 0.41187 34 2PY 0.00000 0.00000 0.00000 0.38124 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.38896 36 3S -0.03425 0.22724 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.10595 0.00000 0.00000 38 3PY 0.00000 0.00000 0.00000 0.09886 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.10249 40 4XX -0.00141 0.00014 0.00000 0.00000 0.00000 41 4YY -0.00123 -0.00365 0.00000 0.00000 0.00000 42 4ZZ -0.00129 -0.00249 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 -0.00013 0.00000 -0.00105 0.00000 47 2S -0.00013 0.00349 0.00000 0.02291 0.00000 48 2PX 0.00000 0.00000 -0.00004 0.00000 0.00000 49 2PY -0.00105 0.02291 0.00000 0.07729 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00042 51 3S 0.00028 0.00260 0.00000 0.02763 0.00000 52 3PX 0.00000 0.00000 -0.00093 0.00000 0.00000 53 3PY -0.00147 0.02051 0.00000 0.03407 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00123 55 4XX 0.00000 -0.00023 0.00000 -0.00056 0.00000 56 4YY -0.00011 0.00250 0.00000 0.00251 0.00000 57 4ZZ 0.00000 -0.00022 0.00000 -0.00064 0.00000 58 4XY 0.00000 0.00000 0.00114 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 0.00104 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00002 0.00000 -0.00011 -0.00004 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00000 -0.00008 -0.00001 -0.00027 -0.00004 65 2PZ 0.00000 -0.00005 0.00000 -0.00017 -0.00006 66 3S 0.00002 -0.00040 -0.00011 -0.00123 0.00017 67 3PX 0.00001 -0.00009 -0.00004 -0.00020 -0.00019 68 3PY 0.00005 -0.00095 0.00000 -0.00108 0.00178 69 3PZ 0.00001 -0.00046 0.00005 -0.00158 -0.00044 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00001 0.00000 0.00005 0.00000 72 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00001 0.00000 0.00005 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 78 2PX 0.00000 0.00000 0.00000 -0.00002 0.00001 79 2PY 0.00000 0.00000 0.00000 0.00001 -0.00002 80 2PZ 0.00000 -0.00001 -0.00001 0.00000 -0.00002 81 3S 0.00001 -0.00036 -0.00014 -0.00023 -0.00137 82 3PX 0.00000 0.00006 0.00004 -0.00038 -0.00006 83 3PY 0.00001 -0.00018 -0.00033 0.00008 -0.00076 84 3PZ 0.00001 -0.00042 -0.00003 0.00010 -0.00117 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00008 0.00009 0.00001 0.00033 93 8 H 1S 0.00000 -0.00013 -0.00001 -0.00028 -0.00025 94 2S 0.00016 -0.00247 -0.00020 -0.00446 -0.00431 95 9 H 1S -0.00170 0.02784 0.07932 0.01254 0.00674 96 2S -0.00043 0.00951 0.05033 0.00744 0.00404 97 10 H 1S 0.00000 -0.00011 -0.00012 -0.00032 0.00000 98 2S 0.00009 -0.00166 -0.00196 -0.00463 -0.00003 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00006 0.00000 0.00029 0.00004 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 -0.00001 0.00000 -0.00001 105 2PX 0.00000 -0.00001 -0.00001 0.00000 -0.00003 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 -0.00002 -0.00002 0.00000 -0.00004 108 3S 0.00001 -0.00003 -0.00003 -0.00001 0.00044 109 3PX 0.00002 -0.00065 -0.00038 0.00000 -0.00139 110 3PY 0.00000 -0.00002 -0.00001 -0.00002 -0.00005 111 3PZ 0.00004 -0.00040 -0.00034 0.00000 -0.00007 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 -0.00001 -0.00010 0.00000 -0.00004 124 3PX 0.00000 -0.00005 -0.00014 -0.00001 -0.00005 125 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 126 3PZ 0.00000 -0.00002 -0.00010 -0.00001 0.00002 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 -0.00002 -0.00006 0.00000 0.00000 139 3PX 0.00000 0.00002 0.00014 0.00002 0.00001 140 3PY 0.00000 0.00000 0.00003 0.00000 0.00000 141 3PZ 0.00000 -0.00001 -0.00013 0.00001 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 -0.00017 0.00000 -0.00002 -0.00038 154 3PX 0.00001 -0.00011 0.00007 -0.00012 -0.00016 155 3PY 0.00000 -0.00002 -0.00009 0.00002 -0.00014 156 3PZ 0.00001 -0.00033 0.00003 -0.00001 -0.00046 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 -0.00002 0.00018 -0.00001 0.00000 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00001 0.00000 0.00000 0.00001 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 -0.00013 -0.00008 -0.00033 -0.00008 183 2S 0.00013 -0.00208 -0.00121 -0.00487 -0.00081 184 21 H 1S -0.00166 0.02734 0.04268 0.00965 0.04455 185 2S -0.00064 0.00994 0.02851 0.00580 0.02893 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00002 0.00001 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 36 37 38 39 40 36 3S 0.30210 37 3PX 0.00000 0.08585 38 3PY 0.00000 0.00000 0.08588 39 3PZ 0.00000 0.00000 0.00000 0.09074 40 4XX -0.00022 0.00000 0.00000 0.00000 0.00113 41 4YY -0.00323 0.00000 0.00000 0.00000 -0.00011 42 4ZZ -0.00010 0.00000 0.00000 0.00000 -0.00006 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 0.00028 0.00000 -0.00147 0.00000 0.00000 47 2S 0.00260 0.00000 0.02051 0.00000 -0.00023 48 2PX 0.00000 -0.00093 0.00000 0.00000 0.00000 49 2PY 0.02762 0.00000 0.03407 0.00000 -0.00056 50 2PZ 0.00000 0.00000 0.00000 -0.00123 0.00000 51 3S -0.01566 0.00000 0.01958 0.00000 -0.00079 52 3PX 0.00000 -0.00257 0.00000 0.00000 0.00000 53 3PY 0.01958 0.00000 0.01442 0.00000 -0.00111 54 3PZ 0.00000 0.00000 0.00000 -0.00415 0.00000 55 4XX -0.00079 0.00000 -0.00111 0.00000 0.00000 56 4YY 0.00369 0.00000 0.00189 0.00000 -0.00001 57 4ZZ -0.00124 0.00000 -0.00167 0.00000 0.00000 58 4XY 0.00000 0.00074 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 0.00072 0.00000 61 5 C 1S 0.00000 0.00000 0.00009 0.00000 0.00000 62 2S -0.00058 -0.00008 -0.00203 -0.00047 0.00000 63 2PX -0.00039 0.00020 -0.00020 -0.00018 0.00000 64 2PY -0.00336 -0.00018 -0.00450 -0.00024 0.00000 65 2PZ 0.00006 0.00002 -0.00131 -0.00028 0.00000 66 3S -0.00142 -0.00033 -0.00425 0.00049 0.00001 67 3PX -0.00184 0.00051 -0.00083 -0.00062 0.00001 68 3PY -0.00547 -0.00015 -0.00385 0.00275 -0.00005 69 3PZ 0.00200 0.00022 -0.00215 -0.00015 0.00000 70 4XX -0.00002 0.00000 -0.00003 -0.00003 0.00000 71 4YY 0.00026 0.00001 0.00058 0.00000 0.00000 72 4ZZ -0.00011 0.00000 -0.00029 0.00001 0.00000 73 4XY 0.00001 0.00000 0.00001 0.00000 0.00000 74 4XZ 0.00000 -0.00001 -0.00001 0.00000 0.00000 75 4YZ 0.00006 0.00000 0.00017 0.00001 0.00000 76 6 C 1S 0.00002 0.00000 0.00001 0.00002 0.00000 77 2S -0.00039 -0.00005 -0.00022 -0.00032 0.00000 78 2PX -0.00025 0.00000 -0.00053 0.00017 0.00000 79 2PY -0.00036 -0.00003 0.00010 -0.00075 0.00000 80 2PZ -0.00016 -0.00005 0.00006 -0.00016 0.00000 81 3S -0.00468 -0.00064 -0.00149 -0.00522 0.00004 82 3PX -0.00148 0.00000 -0.00158 -0.00028 0.00001 83 3PY -0.00260 -0.00082 0.00001 -0.00249 0.00003 84 3PZ -0.00055 0.00000 0.00079 -0.00211 0.00004 85 4XX -0.00002 -0.00001 -0.00003 0.00001 0.00000 86 4YY 0.00003 0.00000 0.00004 -0.00002 0.00000 87 4ZZ 0.00003 0.00001 -0.00002 0.00003 0.00000 88 4XY 0.00000 0.00000 0.00000 -0.00003 0.00000 89 4XZ -0.00001 0.00000 -0.00002 0.00000 0.00000 90 4YZ -0.00004 -0.00001 0.00001 -0.00001 0.00000 91 7 H 1S 0.00008 0.00002 0.00001 0.00020 0.00000 92 2S 0.00142 0.00048 0.00015 0.00283 -0.00001 93 8 H 1S -0.00400 -0.00014 -0.00097 -0.00282 0.00000 94 2S -0.01623 -0.00051 -0.00527 -0.00972 -0.00003 95 9 H 1S 0.03034 0.05114 0.00787 0.00549 0.00438 96 2S -0.00477 0.04890 0.00646 0.00408 0.00431 97 10 H 1S -0.00122 -0.00112 -0.00278 -0.00020 0.00000 98 2S -0.00090 -0.00408 -0.00870 -0.00031 -0.00005 99 11 H 1S 0.00007 0.00000 0.00023 0.00000 0.00000 100 2S 0.00130 0.00003 0.00301 0.00018 0.00000 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S -0.00001 -0.00005 -0.00001 -0.00008 0.00000 103 13 C 1S 0.00000 0.00002 0.00000 0.00002 0.00000 104 2S -0.00015 -0.00016 0.00000 -0.00035 0.00000 105 2PX -0.00017 -0.00018 0.00001 -0.00008 0.00000 106 2PY 0.00000 -0.00001 0.00003 0.00000 0.00000 107 2PZ -0.00002 0.00018 0.00002 -0.00037 0.00000 108 3S 0.00071 -0.00008 0.00000 0.00096 0.00000 109 3PX -0.00064 -0.00045 0.00004 -0.00201 -0.00002 110 3PY -0.00007 -0.00004 -0.00002 -0.00009 0.00000 111 3PZ 0.00099 -0.00007 0.00005 0.00026 -0.00006 112 4XX 0.00004 0.00004 0.00000 -0.00011 0.00000 113 4YY -0.00002 -0.00001 0.00000 0.00000 0.00000 114 4ZZ 0.00001 -0.00003 0.00000 0.00015 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00002 0.00000 0.00000 0.00002 0.00000 117 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S -0.00009 -0.00007 -0.00001 0.00001 0.00000 120 2PX -0.00006 -0.00019 -0.00004 0.00028 0.00000 121 2PY 0.00002 0.00004 -0.00002 -0.00002 0.00000 122 2PZ -0.00006 -0.00031 -0.00004 0.00019 0.00000 123 3S -0.00078 -0.00100 -0.00007 -0.00014 0.00000 124 3PX -0.00049 -0.00116 -0.00027 0.00167 0.00001 125 3PY 0.00015 0.00019 -0.00015 -0.00013 0.00000 126 3PZ -0.00046 -0.00169 -0.00024 0.00090 0.00000 127 4XX -0.00001 -0.00001 -0.00001 0.00002 0.00000 128 4YY 0.00001 0.00002 0.00000 -0.00001 0.00000 129 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00001 0.00002 0.00000 0.00001 0.00000 132 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S -0.00001 -0.00004 0.00000 0.00000 0.00000 135 2PX -0.00002 -0.00005 0.00000 -0.00001 0.00000 136 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 137 2PZ -0.00003 -0.00006 0.00001 0.00000 0.00000 138 3S -0.00008 -0.00026 0.00001 -0.00001 0.00000 139 3PX 0.00016 0.00044 0.00013 0.00005 0.00000 140 3PY 0.00001 -0.00001 -0.00001 0.00002 0.00000 141 3PZ -0.00013 -0.00058 0.00006 -0.00007 0.00000 142 4XX 0.00001 0.00000 0.00000 0.00001 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S -0.00007 0.00001 0.00001 -0.00004 0.00000 150 2PX -0.00023 0.00009 -0.00007 -0.00029 0.00000 151 2PY -0.00005 -0.00002 0.00001 0.00000 0.00000 152 2PZ -0.00031 0.00010 -0.00016 -0.00029 0.00000 153 3S -0.00190 0.00017 -0.00011 -0.00170 0.00001 154 3PX -0.00155 0.00026 -0.00060 -0.00095 0.00001 155 3PY -0.00028 -0.00044 0.00001 -0.00014 0.00000 156 3PZ -0.00263 0.00062 -0.00038 -0.00169 0.00002 157 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 159 4ZZ 0.00002 0.00000 0.00000 0.00002 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00002 0.00001 0.00001 0.00002 0.00000 165 18 H 1S -0.00008 -0.00006 0.00000 0.00000 0.00000 166 2S -0.00056 0.00109 -0.00010 0.00006 0.00001 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00002 -0.00001 -0.00002 0.00000 0.00000 170 2PY 0.00000 -0.00002 0.00000 0.00001 0.00000 171 2PZ 0.00001 0.00002 -0.00001 0.00000 0.00000 172 3S 0.00006 -0.00005 -0.00001 0.00012 0.00000 173 3PX 0.00035 -0.00009 -0.00017 0.00008 0.00000 174 3PY -0.00004 -0.00024 -0.00002 0.00010 0.00000 175 3PZ 0.00015 0.00012 -0.00007 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S -0.00222 -0.00056 -0.00202 -0.00076 0.00000 183 2S -0.00793 -0.00243 -0.00760 -0.00160 0.00013 184 21 H 1S 0.03402 0.02647 0.00709 0.02917 0.00062 185 2S 0.01332 0.02783 0.00655 0.02843 0.00050 186 22 H 1S -0.00001 -0.00002 0.00000 0.00002 0.00000 187 2S -0.00002 -0.00010 0.00003 0.00049 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00014 -0.00002 0.00008 0.00006 0.00000 41 42 43 44 45 41 4YY 0.00121 42 4ZZ -0.00011 0.00105 43 4XY 0.00000 0.00000 0.00096 44 4XZ 0.00000 0.00000 0.00000 0.00130 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00091 46 4 C 1S -0.00011 0.00000 0.00000 0.00000 0.00000 47 2S 0.00250 -0.00022 0.00000 0.00000 0.00000 48 2PX 0.00000 0.00000 0.00114 0.00000 0.00000 49 2PY 0.00251 -0.00064 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00104 51 3S 0.00369 -0.00124 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.00074 0.00000 0.00000 53 3PY 0.00189 -0.00167 0.00000 0.00000 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00072 55 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 56 4YY -0.00002 -0.00001 0.00000 0.00000 0.00000 57 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 -0.00016 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 -0.00012 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00000 0.00000 0.00001 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00001 -0.00001 0.00000 0.00000 0.00003 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00002 66 3S 0.00002 -0.00002 0.00001 0.00000 0.00005 67 3PX 0.00003 -0.00004 0.00002 -0.00002 0.00002 68 3PY 0.00004 0.00006 0.00000 0.00000 0.00002 69 3PZ -0.00010 0.00006 0.00001 -0.00001 0.00007 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.00001 -0.00005 -0.00001 0.00000 0.00001 82 3PX 0.00001 -0.00002 0.00000 0.00001 0.00000 83 3PY 0.00003 -0.00009 0.00001 0.00001 0.00001 84 3PZ -0.00005 0.00001 -0.00001 -0.00002 0.00003 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 93 8 H 1S 0.00004 -0.00001 0.00000 0.00000 0.00004 94 2S 0.00065 -0.00038 0.00001 -0.00001 0.00010 95 9 H 1S -0.00079 -0.00093 0.00195 0.00105 0.00021 96 2S -0.00101 -0.00230 0.00042 0.00029 0.00003 97 10 H 1S 0.00002 0.00000 0.00005 0.00000 0.00000 98 2S -0.00016 0.00020 0.00028 -0.00001 0.00002 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 108 3S -0.00002 0.00004 0.00000 0.00002 0.00000 109 3PX -0.00004 0.00017 0.00000 0.00009 0.00000 110 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 111 3PZ -0.00006 0.00016 0.00000 0.00014 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00001 0.00001 154 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00001 -0.00001 0.00000 0.00000 0.00000 156 3PZ -0.00001 0.00000 0.00000 0.00001 0.00001 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00003 0.00000 0.00003 0.00000 0.00003 183 2S -0.00003 0.00003 0.00017 -0.00003 0.00015 184 21 H 1S -0.00087 0.00098 0.00087 0.00338 0.00098 185 2S -0.00155 0.00172 0.00021 0.00078 0.00021 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 4 C 1S 2.05092 47 2S -0.01170 0.30682 48 2PX 0.00000 0.00000 0.41187 49 2PY 0.00000 0.00000 0.00000 0.38124 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.38896 51 3S -0.03425 0.22724 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.10595 0.00000 0.00000 53 3PY 0.00000 0.00000 0.00000 0.09886 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.10248 55 4XX -0.00141 0.00014 0.00000 0.00000 0.00000 56 4YY -0.00123 -0.00365 0.00000 0.00000 0.00000 57 4ZZ -0.00129 -0.00249 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 -0.00020 -0.00009 -0.00019 -0.00117 62 2S -0.00019 0.00510 0.00177 0.00371 0.02397 63 2PX -0.00012 0.00225 0.00002 0.00070 0.00791 64 2PY -0.00024 0.00423 0.00094 -0.00061 0.01389 65 2PZ -0.00095 0.01884 0.00649 0.01256 0.04482 66 3S -0.00008 0.00439 0.00233 0.00318 0.02221 67 3PX -0.00013 0.00144 0.00002 0.00032 0.00380 68 3PY -0.00030 0.00327 0.00013 -0.00170 0.00268 69 3PZ -0.00056 0.01093 0.00152 0.00723 0.01200 70 4XX 0.00000 -0.00025 0.00003 -0.00003 -0.00056 71 4YY 0.00001 -0.00028 -0.00004 -0.00005 -0.00047 72 4ZZ -0.00008 0.00173 0.00057 0.00113 -0.00015 73 4XY 0.00000 0.00008 0.00002 0.00000 0.00023 74 4XZ -0.00002 0.00027 0.00055 0.00016 0.00037 75 4YZ -0.00004 0.00071 0.00018 0.00007 0.00127 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00004 -0.00007 0.00000 -0.00017 78 2PX 0.00000 -0.00005 0.00000 0.00000 -0.00033 79 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PZ 0.00000 -0.00015 -0.00022 0.00000 -0.00022 81 3S 0.00002 -0.00042 -0.00082 -0.00002 -0.00011 82 3PX 0.00001 0.00002 0.00015 -0.00002 -0.00079 83 3PY 0.00000 -0.00003 -0.00008 0.00019 -0.00014 84 3PZ 0.00012 -0.00177 -0.00219 0.00001 0.00070 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00001 0.00002 0.00000 0.00006 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00001 0.00001 0.00000 0.00005 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00006 0.00000 0.00029 0.00004 95 9 H 1S 0.00000 -0.00011 -0.00012 -0.00032 0.00000 96 2S 0.00009 -0.00166 -0.00195 -0.00464 -0.00003 97 10 H 1S -0.00170 0.02784 0.07935 0.01254 0.00671 98 2S -0.00043 0.00951 0.05034 0.00744 0.00403 99 11 H 1S 0.00000 -0.00013 -0.00001 -0.00028 -0.00025 100 2S 0.00016 -0.00247 -0.00020 -0.00446 -0.00431 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00008 0.00009 0.00001 0.00033 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 -0.00017 0.00000 -0.00002 -0.00038 109 3PX 0.00001 -0.00011 0.00007 -0.00012 -0.00016 110 3PY 0.00000 -0.00002 -0.00009 0.00002 -0.00014 111 3PZ 0.00001 -0.00033 0.00003 -0.00001 -0.00046 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00001 0.00000 0.00000 0.00001 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 -0.00002 -0.00006 0.00000 0.00000 139 3PX 0.00000 0.00002 0.00014 0.00002 0.00001 140 3PY 0.00000 0.00000 0.00003 0.00000 0.00000 141 3PZ 0.00000 -0.00001 -0.00013 0.00001 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 -0.00001 0.00000 -0.00001 150 2PX 0.00000 -0.00001 -0.00001 0.00000 -0.00003 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 -0.00002 -0.00002 0.00000 -0.00004 153 3S 0.00001 -0.00003 -0.00003 -0.00001 0.00044 154 3PX 0.00002 -0.00065 -0.00038 0.00000 -0.00139 155 3PY 0.00000 -0.00002 -0.00001 -0.00002 -0.00005 156 3PZ 0.00004 -0.00040 -0.00034 0.00000 -0.00007 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 -0.00002 0.00018 -0.00001 0.00000 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 -0.00001 -0.00010 0.00000 -0.00004 173 3PX 0.00000 -0.00005 -0.00014 -0.00001 -0.00005 174 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 175 3PZ 0.00000 -0.00002 -0.00010 -0.00001 0.00002 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S -0.00166 0.02734 0.04264 0.00967 0.04457 183 2S -0.00064 0.00994 0.02849 0.00581 0.02894 184 21 H 1S 0.00000 -0.00013 -0.00008 -0.00033 -0.00008 185 2S 0.00013 -0.00208 -0.00121 -0.00487 -0.00081 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 0.00002 0.00001 0.00000 0.00004 51 52 53 54 55 51 3S 0.30211 52 3PX 0.00000 0.08586 53 3PY 0.00000 0.00000 0.08588 54 3PZ 0.00000 0.00000 0.00000 0.09073 55 4XX -0.00022 0.00000 0.00000 0.00000 0.00114 56 4YY -0.00323 0.00000 0.00000 0.00000 -0.00011 57 4ZZ -0.00010 0.00000 0.00000 0.00000 -0.00006 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00013 -0.00008 -0.00024 -0.00127 0.00000 62 2S 0.00692 0.00180 0.00226 0.01980 -0.00030 63 2PX 0.00564 -0.00001 0.00058 0.00425 0.00003 64 2PY 0.00981 0.00069 0.00034 0.00821 -0.00007 65 2PZ 0.01743 0.00365 0.00759 0.01549 -0.00038 66 3S 0.00013 0.00180 0.00225 0.01207 -0.00096 67 3PX 0.00758 -0.00075 0.00009 0.00263 -0.00026 68 3PY 0.00649 -0.00003 -0.00189 0.00065 0.00001 69 3PZ -0.00033 0.00123 0.00562 0.00190 0.00004 70 4XX -0.00076 -0.00020 -0.00013 -0.00046 0.00002 71 4YY -0.00147 -0.00007 -0.00035 -0.00095 -0.00001 72 4ZZ 0.00324 0.00038 0.00081 0.00011 0.00000 73 4XY 0.00007 0.00002 0.00000 0.00007 0.00000 74 4XZ 0.00015 0.00045 0.00003 0.00003 0.00000 75 4YZ 0.00037 0.00004 0.00015 0.00018 -0.00003 76 6 C 1S 0.00004 0.00004 0.00000 0.00012 0.00000 77 2S -0.00076 -0.00064 0.00004 -0.00216 0.00000 78 2PX 0.00005 0.00002 0.00002 -0.00313 0.00000 79 2PY 0.00002 -0.00002 0.00013 0.00004 0.00000 80 2PZ -0.00378 -0.00115 0.00009 -0.00217 0.00002 81 3S 0.00248 -0.00096 0.00009 0.00150 0.00006 82 3PX 0.00384 0.00004 -0.00003 -0.00198 -0.00008 83 3PY -0.00019 -0.00014 0.00105 -0.00016 0.00001 84 3PZ -0.00950 -0.00300 0.00013 0.00127 0.00026 85 4XX 0.00010 0.00000 0.00000 0.00004 0.00000 86 4YY -0.00012 -0.00003 0.00000 -0.00015 0.00000 87 4ZZ 0.00019 0.00015 -0.00001 0.00050 0.00000 88 4XY 0.00000 0.00000 -0.00003 -0.00001 0.00000 89 4XZ 0.00008 0.00001 0.00000 0.00018 0.00000 90 4YZ -0.00001 0.00000 -0.00001 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S -0.00001 -0.00005 -0.00001 -0.00008 0.00000 93 8 H 1S 0.00007 0.00000 0.00023 0.00000 0.00000 94 2S 0.00130 0.00003 0.00301 0.00018 0.00000 95 9 H 1S -0.00122 -0.00112 -0.00278 -0.00020 0.00000 96 2S -0.00090 -0.00407 -0.00870 -0.00031 -0.00005 97 10 H 1S 0.03034 0.05116 0.00787 0.00548 0.00438 98 2S -0.00478 0.04891 0.00646 0.00407 0.00431 99 11 H 1S -0.00400 -0.00014 -0.00097 -0.00282 0.00000 100 2S -0.01623 -0.00051 -0.00527 -0.00972 -0.00003 101 12 H 1S 0.00008 0.00002 0.00001 0.00020 0.00000 102 2S 0.00142 0.00048 0.00015 0.00283 -0.00001 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S -0.00007 0.00001 0.00001 -0.00004 0.00000 105 2PX -0.00023 0.00009 -0.00007 -0.00029 0.00000 106 2PY -0.00005 -0.00002 0.00001 0.00000 0.00000 107 2PZ -0.00031 0.00010 -0.00016 -0.00029 0.00000 108 3S -0.00190 0.00017 -0.00011 -0.00170 0.00001 109 3PX -0.00154 0.00026 -0.00060 -0.00095 0.00001 110 3PY -0.00028 -0.00044 0.00001 -0.00014 0.00000 111 3PZ -0.00263 0.00062 -0.00038 -0.00168 0.00002 112 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 114 4ZZ 0.00002 0.00000 0.00000 0.00002 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00002 -0.00001 -0.00002 0.00000 0.00000 121 2PY 0.00000 -0.00002 0.00000 0.00001 0.00000 122 2PZ 0.00001 0.00002 -0.00001 0.00000 0.00000 123 3S 0.00006 -0.00005 -0.00001 0.00012 0.00000 124 3PX 0.00035 -0.00009 -0.00017 0.00008 0.00000 125 3PY -0.00004 -0.00024 -0.00002 0.00010 0.00000 126 3PZ 0.00015 0.00012 -0.00007 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S -0.00001 -0.00004 0.00000 0.00000 0.00000 135 2PX -0.00002 -0.00005 0.00000 -0.00001 0.00000 136 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 137 2PZ -0.00003 -0.00007 0.00001 0.00000 0.00000 138 3S -0.00008 -0.00026 0.00001 -0.00001 0.00000 139 3PX 0.00016 0.00044 0.00013 0.00005 0.00000 140 3PY 0.00001 -0.00001 -0.00001 0.00002 0.00000 141 3PZ -0.00013 -0.00058 0.00006 -0.00007 0.00000 142 4XX 0.00001 0.00000 0.00000 0.00001 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00002 0.00000 0.00002 0.00000 149 2S -0.00015 -0.00016 0.00000 -0.00035 0.00000 150 2PX -0.00017 -0.00018 0.00001 -0.00008 0.00000 151 2PY 0.00000 -0.00001 0.00003 0.00000 0.00000 152 2PZ -0.00002 0.00018 0.00002 -0.00037 0.00000 153 3S 0.00071 -0.00008 0.00000 0.00096 0.00000 154 3PX -0.00064 -0.00045 0.00004 -0.00201 -0.00002 155 3PY -0.00007 -0.00004 -0.00002 -0.00009 0.00000 156 3PZ 0.00100 -0.00007 0.00005 0.00026 -0.00006 157 4XX 0.00004 0.00004 0.00000 -0.00011 0.00000 158 4YY -0.00002 -0.00001 0.00000 0.00000 0.00000 159 4ZZ 0.00001 -0.00003 0.00000 0.00015 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00002 0.00000 0.00000 0.00002 0.00000 162 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00002 0.00001 0.00001 0.00002 0.00000 165 18 H 1S -0.00008 -0.00006 0.00000 0.00000 0.00000 166 2S -0.00056 0.00109 -0.00010 0.00006 0.00001 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S -0.00009 -0.00007 -0.00001 0.00001 0.00000 169 2PX -0.00006 -0.00019 -0.00004 0.00028 0.00000 170 2PY 0.00002 0.00004 -0.00002 -0.00002 0.00000 171 2PZ -0.00006 -0.00031 -0.00004 0.00019 0.00000 172 3S -0.00078 -0.00100 -0.00007 -0.00014 0.00000 173 3PX -0.00049 -0.00116 -0.00026 0.00167 0.00001 174 3PY 0.00015 0.00019 -0.00015 -0.00013 0.00000 175 3PZ -0.00046 -0.00169 -0.00024 0.00090 0.00000 176 4XX -0.00001 -0.00001 -0.00001 0.00002 0.00000 177 4YY 0.00001 0.00002 0.00000 -0.00001 0.00000 178 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00001 0.00002 0.00000 0.00001 0.00000 181 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 182 20 H 1S 0.03402 0.02645 0.00710 0.02918 0.00062 183 2S 0.01332 0.02781 0.00656 0.02845 0.00050 184 21 H 1S -0.00222 -0.00056 -0.00202 -0.00076 0.00000 185 2S -0.00793 -0.00243 -0.00760 -0.00160 0.00013 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00014 -0.00002 0.00008 0.00006 0.00000 188 23 H 1S -0.00001 -0.00002 0.00000 0.00002 0.00000 189 2S -0.00002 -0.00010 0.00003 0.00049 0.00000 56 57 58 59 60 56 4YY 0.00121 57 4ZZ -0.00011 0.00105 58 4XY 0.00000 0.00000 0.00096 59 4XZ 0.00000 0.00000 0.00000 0.00130 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00091 61 5 C 1S 0.00000 -0.00007 0.00000 -0.00002 -0.00005 62 2S -0.00018 0.00165 0.00007 0.00039 0.00082 63 2PX -0.00003 0.00057 0.00004 0.00047 0.00023 64 2PY -0.00006 0.00108 0.00000 0.00020 0.00005 65 2PZ -0.00029 0.00023 0.00021 0.00058 0.00129 66 3S -0.00038 0.00238 0.00004 0.00013 0.00035 67 3PX -0.00014 0.00065 0.00005 0.00053 0.00005 68 3PY -0.00034 0.00048 0.00001 0.00001 0.00023 69 3PZ -0.00005 -0.00049 0.00003 0.00015 0.00018 70 4XX 0.00000 -0.00005 0.00000 0.00000 -0.00002 71 4YY 0.00002 -0.00006 0.00000 -0.00001 0.00000 72 4ZZ -0.00008 0.00007 0.00001 -0.00007 -0.00007 73 4XY 0.00000 0.00000 0.00000 0.00001 0.00000 74 4XZ -0.00001 -0.00001 0.00002 -0.00005 0.00000 75 4YZ 0.00000 -0.00002 0.00000 0.00001 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00001 0.00000 78 2PX 0.00000 0.00004 0.00000 -0.00001 0.00000 79 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PZ 0.00000 -0.00001 0.00000 0.00008 0.00000 81 3S -0.00007 0.00005 0.00000 0.00006 0.00000 82 3PX -0.00007 0.00033 0.00000 -0.00006 0.00000 83 3PY 0.00000 -0.00001 -0.00002 0.00001 -0.00005 84 3PZ -0.00002 -0.00022 0.00000 0.00029 0.00000 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 95 9 H 1S 0.00002 0.00000 0.00005 0.00000 0.00000 96 2S -0.00016 0.00020 0.00028 -0.00001 0.00002 97 10 H 1S -0.00079 -0.00093 0.00195 0.00104 0.00021 98 2S -0.00101 -0.00230 0.00042 0.00029 0.00003 99 11 H 1S 0.00004 -0.00001 0.00000 0.00000 0.00004 100 2S 0.00065 -0.00038 0.00001 -0.00001 0.00010 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 0.00000 0.00000 0.00001 0.00001 109 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 110 3PY 0.00001 -0.00001 0.00000 0.00000 0.00000 111 3PZ -0.00001 0.00000 0.00000 0.00001 0.00001 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 153 3S -0.00002 0.00004 0.00000 0.00002 0.00000 154 3PX -0.00004 0.00017 0.00000 0.00009 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 156 3PZ -0.00006 0.00016 0.00000 0.00014 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S -0.00087 0.00099 0.00087 0.00338 0.00098 183 2S -0.00155 0.00172 0.00021 0.00078 0.00021 184 21 H 1S 0.00003 0.00000 0.00003 0.00000 0.00003 185 2S -0.00003 0.00003 0.00017 -0.00003 0.00015 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 -0.00001 0.00000 0.00000 0.00000 61 62 63 64 65 61 5 C 1S 2.05499 62 2S -0.01344 0.32633 63 2PX 0.00000 0.00000 0.35439 64 2PY 0.00000 0.00000 0.00000 0.41151 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.38399 66 3S -0.03645 0.23612 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.11188 0.00000 0.00000 68 3PY 0.00000 0.00000 0.00000 0.07408 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.09697 70 4XX -0.00090 -0.00921 0.00000 0.00000 0.00000 71 4YY -0.00145 0.00112 0.00000 0.00000 0.00000 72 4ZZ -0.00111 -0.00519 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 -0.00054 -0.00132 -0.00067 -0.00092 77 2S -0.00058 0.01134 0.02021 0.00937 0.01358 78 2PX -0.00143 0.02093 -0.00057 0.01826 0.03416 79 2PY -0.00062 0.00936 0.01792 -0.00036 0.00933 80 2PZ -0.00090 0.01262 0.03914 0.00746 0.00059 81 3S 0.00070 0.00574 0.00749 0.01238 0.00721 82 3PX -0.00061 0.01223 0.00367 0.00805 0.01436 83 3PY -0.00036 0.00249 0.01210 0.00131 0.00369 84 3PZ 0.00035 0.00196 0.01594 0.00065 0.00349 85 4XX -0.00003 0.00050 -0.00076 0.00066 0.00099 86 4YY 0.00001 -0.00046 -0.00034 -0.00027 -0.00033 87 4ZZ 0.00000 0.00001 0.00041 0.00025 -0.00055 88 4XY -0.00008 0.00083 0.00020 -0.00002 0.00121 89 4XZ -0.00009 0.00096 0.00031 0.00105 -0.00005 90 4YZ -0.00007 0.00068 0.00124 -0.00001 0.00005 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00013 0.00023 0.00019 0.00011 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00002 0.00000 0.00006 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00009 0.00011 0.00015 0.00006 97 10 H 1S 0.00000 -0.00015 -0.00026 0.00000 -0.00029 98 2S 0.00020 -0.00288 -0.00585 -0.00011 -0.00246 99 11 H 1S -0.00196 0.03098 0.00105 0.09692 0.00070 100 2S -0.00121 0.01237 0.00024 0.06456 0.00049 101 12 H 1S 0.00000 -0.00020 -0.00035 0.00000 -0.00037 102 2S 0.00026 -0.00342 -0.00577 0.00001 -0.00550 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 -0.00020 -0.00015 -0.00051 0.00013 109 3PX 0.00001 -0.00046 -0.00029 -0.00024 -0.00025 110 3PY -0.00001 0.00003 -0.00009 -0.00035 0.00017 111 3PZ 0.00000 -0.00022 -0.00033 -0.00015 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00002 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 -0.00008 0.00013 0.00001 0.00005 150 2PX 0.00000 0.00003 0.00204 0.00028 0.00071 151 2PY 0.00000 -0.00002 0.00020 -0.00001 0.00004 152 2PZ 0.00000 0.00007 0.00111 0.00010 0.00022 153 3S 0.00016 -0.00065 0.00234 0.00090 -0.00066 154 3PX 0.00003 -0.00040 0.00812 0.00149 0.00512 155 3PY 0.00000 -0.00033 0.00105 0.00026 0.00060 156 3PZ 0.00004 0.00025 0.00632 0.00056 0.00003 157 4XX 0.00000 0.00003 0.00012 0.00002 0.00006 158 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 159 4ZZ 0.00000 0.00000 -0.00003 0.00000 -0.00001 160 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 161 4XZ 0.00000 0.00002 0.00007 0.00001 0.00001 162 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00003 0.00000 -0.00001 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 -0.00009 0.00000 0.00001 173 3PX 0.00000 -0.00011 -0.00099 -0.00002 -0.00003 174 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 175 3PZ 0.00000 -0.00001 -0.00009 0.00000 0.00005 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 -0.00019 0.00001 -0.00001 -0.00045 183 2S 0.00018 -0.00332 -0.00013 -0.00012 -0.00666 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00006 0.00001 0.00010 0.00023 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00002 0.00003 0.00003 0.00003 188 23 H 1S 0.00000 -0.00002 -0.00005 0.00000 -0.00004 189 2S 0.00003 -0.00065 -0.00108 0.00000 -0.00122 66 67 68 69 70 66 3S 0.30060 67 3PX 0.00000 0.12487 68 3PY 0.00000 0.00000 0.05321 69 3PZ 0.00000 0.00000 0.00000 0.09658 70 4XX -0.00711 0.00000 0.00000 0.00000 0.00149 71 4YY 0.00243 0.00000 0.00000 0.00000 -0.00017 72 4ZZ -0.00427 0.00000 0.00000 0.00000 0.00002 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.00055 -0.00102 -0.00059 -0.00032 -0.00004 77 2S 0.01143 0.01276 0.00676 0.00386 0.00057 78 2PX 0.02145 0.00242 0.00702 0.01528 -0.00099 79 2PY 0.00591 0.00817 -0.00073 0.00376 0.00080 80 2PZ 0.01306 0.02060 0.00274 0.00259 0.00133 81 3S -0.01474 -0.00312 0.00541 0.00232 0.00123 82 3PX 0.01146 0.01823 0.00359 0.01266 -0.00161 83 3PY 0.00031 0.01058 0.00090 -0.00004 0.00080 84 3PZ 0.00070 0.01516 -0.00047 0.01140 0.00174 85 4XX 0.00113 -0.00122 0.00038 0.00142 -0.00002 86 4YY -0.00076 0.00008 -0.00056 -0.00054 -0.00003 87 4ZZ -0.00044 0.00087 -0.00013 -0.00080 0.00002 88 4XY 0.00045 0.00000 0.00002 0.00025 0.00000 89 4XZ 0.00026 -0.00001 0.00009 0.00002 0.00000 90 4YZ 0.00036 0.00030 0.00001 0.00004 -0.00007 91 7 H 1S 0.00011 0.00012 0.00006 0.00007 0.00000 92 2S 0.00169 0.00167 0.00108 0.00063 0.00000 93 8 H 1S 0.00000 0.00000 -0.00003 0.00000 0.00000 94 2S 0.00020 0.00003 -0.00016 0.00001 0.00000 95 9 H 1S 0.00004 0.00005 -0.00005 0.00002 0.00000 96 2S 0.00041 0.00088 -0.00025 -0.00009 0.00000 97 10 H 1S -0.00231 -0.00206 0.00009 0.00032 0.00003 98 2S -0.01153 -0.01243 -0.00013 0.00542 0.00057 99 11 H 1S 0.04240 0.00025 0.04296 0.00017 -0.00103 100 2S 0.02340 -0.00063 0.04178 -0.00010 -0.00176 101 12 H 1S -0.00410 -0.00228 -0.00011 -0.00102 0.00002 102 2S -0.01509 -0.01064 -0.00027 -0.00393 0.00015 103 13 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 104 2S -0.00008 -0.00017 -0.00005 -0.00007 0.00000 105 2PX 0.00018 -0.00033 0.00062 0.00000 0.00000 106 2PY -0.00011 -0.00054 -0.00002 -0.00031 0.00000 107 2PZ 0.00003 -0.00033 0.00023 0.00000 0.00000 108 3S -0.00008 -0.00065 -0.00001 0.00038 0.00004 109 3PX 0.00010 -0.00161 0.00159 -0.00078 0.00010 110 3PY -0.00080 0.00022 -0.00060 -0.00008 -0.00008 111 3PZ 0.00043 -0.00177 0.00093 -0.00006 0.00007 112 4XX 0.00001 -0.00002 0.00002 -0.00001 0.00000 113 4YY 0.00001 0.00000 0.00001 0.00000 0.00000 114 4ZZ -0.00001 0.00001 -0.00002 0.00000 0.00000 115 4XY 0.00001 0.00007 0.00002 0.00004 0.00000 116 4XZ 0.00000 -0.00002 0.00001 0.00000 0.00000 117 4YZ 0.00001 0.00005 0.00001 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 120 2PX 0.00000 0.00001 -0.00001 0.00000 0.00000 121 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S -0.00007 -0.00005 -0.00008 -0.00001 0.00000 124 3PX -0.00007 0.00013 -0.00022 0.00000 0.00000 125 3PY -0.00007 0.00009 -0.00003 0.00000 0.00000 126 3PZ -0.00001 0.00000 -0.00002 0.00002 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00001 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00002 0.00001 0.00001 -0.00001 0.00000 136 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00009 0.00016 0.00004 -0.00002 0.00000 139 3PX 0.00002 -0.00008 -0.00005 -0.00002 0.00000 140 3PY -0.00005 -0.00006 0.00000 0.00000 0.00000 141 3PZ 0.00002 0.00004 0.00002 0.00010 0.00000 142 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00004 0.00004 -0.00002 -0.00005 0.00000 149 2S 0.00014 -0.00038 0.00039 0.00064 0.00003 150 2PX 0.00061 0.00776 0.00085 0.00475 0.00009 151 2PY 0.00007 0.00087 -0.00007 0.00059 0.00003 152 2PZ 0.00128 0.00549 0.00059 0.00007 0.00004 153 3S 0.00126 0.00244 0.00172 0.00107 0.00037 154 3PX 0.00341 0.01261 0.00220 0.01182 0.00046 155 3PY 0.00015 0.00214 -0.00001 0.00151 0.00013 156 3PZ 0.00207 0.01154 0.00088 -0.00216 0.00026 157 4XX 0.00056 0.00070 0.00021 0.00048 -0.00001 158 4YY -0.00011 -0.00015 -0.00003 -0.00009 0.00000 159 4ZZ -0.00023 -0.00026 -0.00012 -0.00012 0.00000 160 4XY -0.00001 0.00006 0.00004 0.00003 0.00000 161 4XZ 0.00006 0.00018 0.00002 0.00001 0.00000 162 4YZ 0.00000 0.00007 0.00001 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00003 -0.00003 -0.00002 0.00000 0.00000 165 18 H 1S 0.00001 0.00001 0.00001 0.00000 0.00000 166 2S 0.00037 0.00025 0.00025 -0.00019 0.00000 167 19 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 168 2S 0.00004 0.00008 0.00001 -0.00002 0.00000 169 2PX -0.00039 -0.00078 -0.00007 -0.00008 0.00000 170 2PY -0.00002 0.00002 0.00001 0.00000 0.00000 171 2PZ -0.00005 -0.00006 -0.00001 0.00011 0.00000 172 3S 0.00004 0.00079 0.00005 -0.00007 -0.00001 173 3PX -0.00341 -0.00509 -0.00042 -0.00053 0.00003 174 3PY -0.00013 0.00011 0.00010 -0.00002 0.00000 175 3PZ -0.00044 -0.00047 -0.00005 0.00119 0.00000 176 4XX -0.00002 0.00010 0.00000 0.00001 0.00000 177 4YY 0.00002 -0.00003 0.00000 0.00000 0.00000 178 4ZZ 0.00000 -0.00005 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S -0.00122 -0.00012 0.00015 -0.00578 0.00000 183 2S -0.00380 -0.00091 0.00030 -0.01806 -0.00007 184 21 H 1S -0.00001 0.00000 -0.00011 0.00024 0.00000 185 2S 0.00004 0.00006 -0.00014 0.00192 0.00001 186 22 H 1S 0.00000 0.00004 -0.00001 0.00002 0.00000 187 2S 0.00009 0.00051 -0.00013 0.00041 0.00000 188 23 H 1S -0.00059 -0.00157 0.00000 -0.00084 0.00000 189 2S -0.00382 -0.00490 -0.00003 -0.00395 0.00006 71 72 73 74 75 71 4YY 0.00186 72 4ZZ -0.00024 0.00145 73 4XY 0.00000 0.00000 0.00042 74 4XZ 0.00000 0.00000 0.00000 0.00069 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00065 76 6 C 1S 0.00002 0.00000 -0.00008 -0.00011 -0.00006 77 2S -0.00045 -0.00019 0.00083 0.00116 0.00065 78 2PX -0.00024 0.00034 0.00030 0.00034 0.00116 79 2PY -0.00025 0.00013 -0.00003 0.00095 -0.00001 80 2PZ -0.00019 -0.00071 0.00116 0.00003 0.00009 81 3S -0.00158 0.00062 0.00021 0.00039 0.00020 82 3PX -0.00022 0.00152 0.00001 -0.00002 0.00018 83 3PY -0.00043 -0.00031 0.00000 0.00016 -0.00002 84 3PZ -0.00022 -0.00113 0.00013 0.00002 0.00003 85 4XX -0.00004 0.00005 -0.00003 -0.00001 0.00000 86 4YY 0.00004 -0.00005 0.00000 -0.00005 0.00000 87 4ZZ -0.00006 0.00002 -0.00005 0.00001 -0.00002 88 4XY 0.00000 -0.00010 0.00001 -0.00001 0.00000 89 4XZ -0.00010 0.00001 0.00000 0.00003 0.00000 90 4YZ 0.00000 -0.00002 0.00001 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S -0.00002 0.00000 0.00000 0.00000 0.00000 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S -0.00001 0.00001 0.00000 0.00000 0.00000 97 10 H 1S 0.00000 0.00001 0.00000 0.00008 0.00000 98 2S -0.00014 -0.00023 -0.00001 0.00030 -0.00002 99 11 H 1S 0.00754 -0.00119 0.00009 0.00001 0.00008 100 2S 0.00684 -0.00308 0.00002 0.00000 0.00001 101 12 H 1S -0.00001 0.00006 0.00000 0.00005 0.00000 102 2S -0.00035 0.00070 -0.00002 0.00009 -0.00002 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00002 -0.00002 0.00000 0.00001 0.00000 109 3PX -0.00002 -0.00004 0.00002 0.00001 0.00000 110 3PY 0.00003 0.00001 0.00000 -0.00001 0.00000 111 3PZ -0.00001 -0.00002 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00002 0.00000 150 2PX -0.00001 0.00000 0.00003 0.00009 0.00001 151 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 152 2PZ 0.00000 0.00000 0.00001 0.00001 0.00000 153 3S -0.00017 -0.00001 0.00003 0.00009 0.00000 154 3PX -0.00022 0.00002 0.00005 0.00022 0.00004 155 3PY 0.00000 -0.00004 0.00000 0.00006 0.00000 156 3PZ -0.00007 -0.00001 0.00005 0.00001 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00014 0.00000 0.00002 0.00000 183 2S -0.00012 0.00070 0.00000 0.00008 -0.00003 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S -0.00002 0.00000 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 -0.00002 0.00003 0.00000 0.00002 0.00000 76 77 78 79 80 76 6 C 1S 2.05271 77 2S -0.01361 0.32496 78 2PX 0.00000 0.00000 0.36897 79 2PY 0.00000 0.00000 0.00000 0.41335 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.39022 81 3S -0.02960 0.20116 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 0.10335 0.00000 0.00000 83 3PY 0.00000 0.00000 0.00000 0.07886 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.09568 85 4XX -0.00113 -0.00672 0.00000 0.00000 0.00000 86 4YY -0.00134 -0.00219 0.00000 0.00000 0.00000 87 4ZZ -0.00127 -0.00380 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 -0.00017 -0.00007 -0.00057 -0.00007 92 2S 0.00019 -0.00265 -0.00091 -0.00840 -0.00152 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00013 0.00003 0.00051 0.00001 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00001 0.00001 -0.00001 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00015 -0.00001 0.00002 0.00041 99 11 H 1S 0.00000 -0.00019 -0.00019 -0.00047 -0.00007 100 2S 0.00019 -0.00267 -0.00255 -0.00651 -0.00039 101 12 H 1S -0.00198 0.03084 0.02437 0.02405 0.04947 102 2S -0.00120 0.01190 0.01602 0.01555 0.03424 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 -0.00003 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 -0.00005 -0.00055 -0.00007 -0.00003 109 3PX 0.00000 -0.00017 -0.00188 -0.00021 -0.00012 110 3PY 0.00000 -0.00002 0.00051 0.00001 0.00004 111 3PZ 0.00000 0.00000 -0.00014 -0.00002 0.00020 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 150 2PX 0.00000 -0.00002 -0.00008 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00001 -0.00022 -0.00141 0.00000 -0.00006 154 3PX 0.00004 -0.00065 -0.00046 0.00000 0.00001 155 3PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 156 3PZ 0.00000 -0.00006 -0.00019 0.00000 -0.00011 157 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 183 2S 0.00000 -0.00006 0.00013 0.00000 -0.00054 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00001 -0.00002 -0.00001 0.00010 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00011 0.00000 0.00003 188 23 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 189 2S 0.00000 -0.00003 -0.00048 0.00002 -0.00005 81 82 83 84 85 81 3S 0.25008 82 3PX 0.00000 0.11998 83 3PY 0.00000 0.00000 0.06236 84 3PZ 0.00000 0.00000 0.00000 0.09329 85 4XX -0.00354 0.00000 0.00000 0.00000 0.00092 86 4YY -0.00196 0.00000 0.00000 0.00000 -0.00008 87 4ZZ -0.00155 0.00000 0.00000 0.00000 0.00007 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S -0.00417 0.00012 -0.00334 0.00019 0.00000 92 2S -0.01699 0.00059 -0.01421 -0.00033 0.00011 93 8 H 1S 0.00015 0.00000 0.00033 0.00000 0.00000 94 2S 0.00219 0.00018 0.00392 -0.00004 0.00000 95 9 H 1S 0.00001 0.00001 0.00002 0.00000 0.00000 96 2S 0.00036 0.00036 0.00040 -0.00009 0.00000 97 10 H 1S 0.00005 -0.00005 0.00005 0.00015 0.00000 98 2S 0.00079 -0.00100 0.00047 0.00247 -0.00001 99 11 H 1S -0.00450 -0.00158 -0.00036 -0.00043 -0.00001 100 2S -0.01535 -0.00581 -0.00203 -0.00017 -0.00026 101 12 H 1S 0.04347 0.00828 0.01000 0.02191 -0.00039 102 2S 0.03825 0.00517 0.00739 0.02134 0.00026 103 13 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 104 2S 0.00003 -0.00038 -0.00004 -0.00003 0.00000 105 2PX -0.00037 -0.00238 -0.00037 -0.00012 0.00000 106 2PY 0.00000 0.00019 -0.00001 0.00002 0.00000 107 2PZ -0.00002 -0.00018 -0.00002 0.00015 0.00000 108 3S -0.00076 -0.00413 -0.00081 -0.00023 0.00000 109 3PX -0.00191 -0.00956 -0.00165 -0.00061 0.00000 110 3PY -0.00002 0.00282 0.00000 0.00017 0.00000 111 3PZ -0.00021 -0.00096 -0.00014 0.00122 0.00000 112 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 113 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 114 4ZZ 0.00001 0.00003 0.00000 0.00000 0.00000 115 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 116 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00002 0.00006 0.00001 0.00000 0.00000 124 3PX 0.00004 0.00032 0.00005 -0.00003 0.00000 125 3PY 0.00001 0.00002 0.00000 0.00001 0.00000 126 3PZ 0.00000 -0.00004 0.00000 -0.00001 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S -0.00001 -0.00004 0.00000 0.00000 0.00000 139 3PX 0.00000 -0.00003 0.00000 0.00001 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 -0.00005 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00001 0.00006 0.00000 0.00000 0.00000 149 2S -0.00029 -0.00143 0.00000 -0.00004 0.00000 150 2PX 0.00030 -0.00169 0.00000 -0.00016 0.00001 151 2PY 0.00000 -0.00001 -0.00003 0.00000 0.00000 152 2PZ -0.00001 -0.00008 0.00000 0.00001 0.00000 153 3S -0.00022 -0.00786 0.00001 -0.00039 0.00005 154 3PX 0.00035 -0.00257 0.00001 -0.00020 0.00034 155 3PY 0.00000 -0.00002 -0.00005 0.00000 0.00000 156 3PZ 0.00006 -0.00044 0.00000 0.00051 0.00003 157 4XX -0.00004 0.00027 0.00000 0.00003 0.00000 158 4YY 0.00001 -0.00003 0.00000 0.00000 0.00000 159 4ZZ 0.00001 -0.00001 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 161 4XZ 0.00000 0.00002 0.00000 -0.00001 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00001 0.00000 0.00000 0.00000 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S -0.00001 -0.00005 0.00000 0.00001 0.00000 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00024 0.00001 -0.00003 0.00000 173 3PX 0.00008 0.00030 0.00004 0.00002 0.00000 174 3PY -0.00002 -0.00003 0.00001 0.00000 0.00000 175 3PZ -0.00003 -0.00005 0.00000 0.00003 0.00000 176 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S -0.00011 0.00013 -0.00002 -0.00096 0.00000 183 2S -0.00081 0.00059 -0.00011 -0.00405 0.00002 184 21 H 1S 0.00004 0.00000 -0.00002 0.00010 0.00000 185 2S 0.00052 -0.00015 -0.00030 0.00142 0.00000 186 22 H 1S 0.00002 0.00006 0.00002 0.00000 0.00000 187 2S 0.00017 0.00120 0.00023 0.00028 0.00000 188 23 H 1S -0.00008 -0.00081 0.00003 -0.00026 0.00000 189 2S -0.00017 -0.00194 0.00021 -0.00063 -0.00004 86 87 88 89 90 86 4YY 0.00114 87 4ZZ -0.00006 0.00089 88 4XY 0.00000 0.00000 0.00095 89 4XZ 0.00000 0.00000 0.00000 0.00067 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00117 91 7 H 1S 0.00002 0.00000 0.00003 0.00000 0.00005 92 2S -0.00017 0.00014 0.00012 0.00000 0.00026 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S -0.00001 -0.00001 -0.00001 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 99 11 H 1S 0.00009 -0.00001 0.00004 -0.00001 0.00002 100 2S 0.00097 -0.00025 0.00009 -0.00008 0.00008 101 12 H 1S -0.00082 0.00160 0.00114 0.00172 0.00226 102 2S -0.00135 0.00254 0.00027 0.00030 0.00052 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 0.00000 -0.00001 0.00000 0.00000 109 3PX -0.00001 0.00000 0.00001 0.00000 0.00000 110 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 111 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S -0.00002 0.00000 0.00000 0.00000 0.00000 154 3PX -0.00007 -0.00009 0.00000 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 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 0.00000 -0.00004 0.00000 -0.00001 -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 0.00002 -0.00001 0.00000 0.00000 91 92 93 94 95 91 7 H 1S 0.21693 92 2S 0.11783 0.17164 93 8 H 1S -0.00001 -0.00104 0.21714 94 2S -0.00105 -0.00589 0.11577 0.16496 95 9 H 1S 0.00000 0.00000 -0.00001 -0.00027 0.21593 96 2S 0.00000 -0.00019 -0.00039 -0.00001 0.11187 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00003 98 2S 0.00000 0.00002 0.00000 -0.00015 -0.00165 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 -0.00014 0.00000 0.00000 0.00000 101 12 H 1S -0.00001 -0.00093 0.00000 0.00000 0.00000 102 2S -0.00093 -0.00553 0.00000 -0.00014 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00001 0.00000 104 2S 0.00000 0.00000 0.00000 -0.00009 0.00000 105 2PX 0.00000 0.00009 -0.00001 -0.00061 0.00000 106 2PY 0.00000 0.00001 -0.00001 -0.00045 0.00000 107 2PZ 0.00000 -0.00001 0.00000 -0.00017 -0.00001 108 3S 0.00001 0.00027 -0.00055 -0.00323 -0.00007 109 3PX 0.00001 0.00048 -0.00060 -0.00284 -0.00022 110 3PY 0.00000 0.00001 0.00020 0.00072 -0.00006 111 3PZ -0.00002 -0.00021 -0.00018 -0.00110 -0.00067 112 4XX 0.00000 0.00000 0.00000 -0.00002 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00005 0.00000 114 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00001 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00002 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00026 -0.00014 124 3PX 0.00000 -0.00001 0.00000 0.00011 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00012 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00001 -0.00002 127 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 -0.00001 -0.00011 139 3PX 0.00000 0.00000 0.00000 -0.00001 0.00017 140 3PY 0.00000 0.00000 0.00000 -0.00001 0.00009 141 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00022 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00001 0.00000 150 2PX 0.00000 -0.00001 0.00000 0.00001 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00004 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 -0.00007 0.00001 0.00040 0.00000 154 3PX 0.00000 -0.00003 -0.00001 0.00008 0.00002 155 3PY 0.00000 -0.00001 0.00003 0.00046 -0.00004 156 3PZ 0.00000 0.00004 0.00000 0.00007 0.00001 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00001 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00001 0.00030 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00000 -0.00001 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 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 0.00000 0.00000 0.00000 -0.00011 0.00038 184 21 H 1S 0.00000 0.00000 0.00000 -0.00015 -0.00052 185 2S 0.00000 -0.00005 -0.00017 -0.00034 -0.00817 186 22 H 1S 0.00000 0.00000 0.00000 -0.00011 0.00000 187 2S 0.00003 0.00027 -0.00011 -0.00016 0.00001 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00002 0.00000 -0.00003 0.00000 96 97 98 99 100 96 2S 0.16628 97 10 H 1S -0.00165 0.21593 98 2S -0.00908 0.11187 0.16629 99 11 H 1S 0.00000 -0.00001 -0.00039 0.21714 100 2S -0.00015 -0.00027 -0.00001 0.11577 0.16496 101 12 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00105 102 2S 0.00002 0.00000 -0.00019 -0.00104 -0.00589 103 13 C 1S 0.00001 0.00000 0.00000 0.00000 0.00000 104 2S -0.00017 0.00000 0.00002 0.00000 0.00001 105 2PX -0.00012 0.00000 -0.00001 0.00000 0.00001 106 2PY -0.00003 0.00000 0.00004 0.00000 0.00004 107 2PZ -0.00126 0.00000 -0.00001 0.00000 0.00000 108 3S -0.00144 0.00000 0.00028 0.00001 0.00040 109 3PX -0.00105 0.00002 0.00011 -0.00001 0.00008 110 3PY -0.00020 -0.00004 0.00013 0.00003 0.00045 111 3PZ -0.00525 0.00001 0.00001 0.00000 0.00007 112 4XX -0.00007 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00002 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00011 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 118 14 O 1S -0.00001 0.00000 0.00000 0.00000 0.00000 119 2S 0.00014 0.00000 0.00001 0.00000 0.00000 120 2PX 0.00058 0.00000 -0.00001 0.00000 0.00000 121 2PY 0.00001 0.00000 0.00001 0.00000 0.00000 122 2PZ 0.00128 0.00000 -0.00001 0.00000 0.00000 123 3S 0.00092 0.00000 0.00016 0.00000 0.00000 124 3PX 0.00353 0.00000 -0.00013 0.00000 -0.00001 125 3PY 0.00007 0.00000 0.00017 0.00000 0.00000 126 3PZ 0.00671 0.00000 -0.00008 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY -0.00008 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00005 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00004 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00001 0.00000 0.00001 0.00000 0.00000 134 2S -0.00016 0.00000 -0.00016 0.00000 0.00000 135 2PX -0.00018 0.00000 -0.00018 0.00000 0.00000 136 2PY -0.00006 0.00000 -0.00006 0.00000 0.00000 137 2PZ -0.00001 0.00000 -0.00001 0.00000 0.00000 138 3S -0.00101 -0.00011 -0.00101 0.00000 -0.00001 139 3PX 0.00046 0.00017 0.00046 0.00000 -0.00001 140 3PY 0.00062 0.00009 0.00062 0.00000 -0.00001 141 3PZ 0.00006 -0.00022 0.00006 0.00000 0.00000 142 4XX 0.00004 0.00000 0.00004 0.00000 0.00000 143 4YY 0.00002 0.00000 0.00002 0.00000 0.00000 144 4ZZ -0.00005 0.00000 -0.00005 0.00000 0.00000 145 4XY 0.00002 0.00000 0.00002 0.00000 0.00000 146 4XZ 0.00001 0.00000 0.00001 0.00000 0.00000 147 4YZ 0.00002 0.00000 0.00002 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00001 0.00000 0.00001 149 2S 0.00002 0.00000 -0.00017 0.00000 -0.00009 150 2PX -0.00001 0.00000 -0.00012 -0.00001 -0.00061 151 2PY 0.00004 0.00000 -0.00003 -0.00001 -0.00045 152 2PZ -0.00001 -0.00001 -0.00126 0.00000 -0.00017 153 3S 0.00028 -0.00007 -0.00144 -0.00055 -0.00322 154 3PX 0.00011 -0.00022 -0.00106 -0.00060 -0.00284 155 3PY 0.00013 -0.00006 -0.00020 0.00020 0.00072 156 3PZ 0.00001 -0.00067 -0.00526 -0.00018 -0.00110 157 4XX 0.00000 0.00000 -0.00007 0.00000 -0.00002 158 4YY 0.00000 0.00000 0.00002 0.00000 0.00005 159 4ZZ 0.00000 0.00000 0.00011 0.00000 -0.00001 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ -0.00001 0.00000 0.00000 0.00000 0.00001 163 17 H 1S 0.00001 0.00000 0.00001 0.00000 0.00000 164 2S 0.00025 0.00001 0.00025 0.00000 0.00000 165 18 H 1S -0.00038 0.00000 -0.00038 0.00000 0.00000 166 2S -0.00172 0.00030 -0.00172 0.00000 0.00001 167 19 O 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 168 2S 0.00001 0.00000 0.00014 0.00000 0.00002 169 2PX -0.00001 0.00000 0.00058 0.00000 0.00000 170 2PY 0.00001 0.00000 0.00001 0.00000 0.00002 171 2PZ -0.00001 0.00000 0.00128 0.00000 0.00000 172 3S 0.00016 -0.00014 0.00092 0.00000 0.00026 173 3PX -0.00013 0.00000 0.00353 0.00000 0.00011 174 3PY 0.00017 0.00000 0.00007 0.00000 0.00012 175 3PZ -0.00008 -0.00002 0.00672 0.00000 0.00001 176 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 177 4YY 0.00000 0.00000 -0.00008 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00005 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00004 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00041 -0.00052 -0.00841 0.00000 -0.00015 183 2S 0.00361 -0.00818 -0.02546 -0.00017 -0.00034 184 21 H 1S -0.00841 0.00000 0.00041 0.00000 0.00000 185 2S -0.02546 0.00038 0.00361 0.00000 -0.00011 186 22 H 1S 0.00003 0.00000 0.00000 0.00000 0.00000 187 2S 0.00048 0.00000 -0.00005 0.00000 -0.00003 188 23 H 1S 0.00000 0.00000 0.00003 0.00000 -0.00011 189 2S -0.00005 0.00001 0.00048 -0.00011 -0.00016 101 102 103 104 105 101 12 H 1S 0.21693 102 2S 0.11783 0.17164 103 13 C 1S 0.00000 0.00000 2.05255 104 2S 0.00000 0.00000 -0.01388 0.33288 105 2PX 0.00000 -0.00001 0.00000 0.00000 0.34620 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 -0.00007 -0.03170 0.22133 0.00000 109 3PX 0.00000 -0.00003 0.00000 0.00000 0.09507 110 3PY 0.00000 -0.00001 0.00000 0.00000 0.00000 111 3PZ 0.00000 0.00004 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 -0.00093 -0.00929 0.00000 113 4YY 0.00000 0.00000 -0.00136 -0.00072 0.00000 114 4ZZ 0.00000 0.00000 -0.00124 -0.00291 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 -0.00006 -0.00048 119 2S 0.00000 0.00000 -0.00002 0.00104 0.00849 120 2PX 0.00000 0.00000 -0.00024 0.01219 0.01590 121 2PY 0.00000 0.00000 -0.00005 0.00218 0.00602 122 2PZ 0.00000 0.00000 -0.00011 0.00478 0.01887 123 3S 0.00000 0.00000 0.00061 -0.00735 0.01469 124 3PX 0.00000 0.00000 -0.00226 0.02342 0.01029 125 3PY 0.00000 0.00000 -0.00071 0.00625 0.00942 126 3PZ 0.00000 0.00000 -0.00096 0.00742 0.01889 127 4XX 0.00000 0.00000 -0.00009 0.00127 -0.00098 128 4YY 0.00000 0.00000 -0.00001 0.00012 0.00061 129 4ZZ 0.00000 0.00000 -0.00001 0.00009 0.00030 130 4XY 0.00000 0.00000 -0.00008 0.00088 0.00084 131 4XZ 0.00000 0.00000 -0.00015 0.00130 0.00070 132 4YZ 0.00000 0.00000 -0.00004 0.00036 0.00123 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 -0.00016 -0.00030 135 2PX 0.00000 0.00000 0.00000 -0.00038 -0.00036 136 2PY 0.00000 0.00000 0.00000 -0.00003 -0.00032 137 2PZ 0.00000 0.00000 0.00000 -0.00024 -0.00061 138 3S 0.00000 0.00000 0.00009 -0.00098 -0.00291 139 3PX 0.00000 0.00000 0.00018 -0.00203 -0.00095 140 3PY 0.00000 0.00000 0.00001 -0.00026 -0.00173 141 3PZ 0.00000 0.00000 0.00012 -0.00154 -0.00361 142 4XX 0.00000 0.00000 0.00000 0.00004 0.00011 143 4YY 0.00000 0.00000 0.00000 -0.00002 -0.00006 144 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00007 145 4XY 0.00000 0.00000 0.00000 0.00002 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00001 0.00009 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00004 148 16 C 1S 0.00000 0.00000 0.00000 -0.00065 0.00000 149 2S 0.00000 0.00000 -0.00065 0.01384 0.00000 150 2PX 0.00000 0.00009 0.00000 0.00000 0.01640 151 2PY 0.00000 0.00001 -0.00286 0.04297 0.00000 152 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 153 3S 0.00001 0.00027 0.00011 0.00956 0.00000 154 3PX 0.00001 0.00048 0.00000 0.00000 0.02166 155 3PY 0.00000 0.00001 -0.00013 0.01037 0.00000 156 3PZ -0.00002 -0.00021 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 -0.00061 0.00000 158 4YY 0.00000 0.00000 -0.00027 0.00367 0.00000 159 4ZZ 0.00000 0.00000 0.00000 -0.00064 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00205 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00017 0.00068 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00009 -0.00002 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 -0.00003 -0.00003 169 2PX 0.00000 0.00000 0.00000 -0.00005 0.00010 170 2PY 0.00000 0.00000 0.00000 -0.00016 -0.00010 171 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00008 172 3S 0.00000 0.00000 -0.00001 -0.00015 -0.00043 173 3PX 0.00000 -0.00001 0.00004 -0.00104 0.00070 174 3PY 0.00000 0.00000 0.00011 -0.00329 -0.00122 175 3PZ 0.00000 0.00000 -0.00001 0.00015 -0.00130 176 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 177 4YY 0.00000 0.00000 0.00000 -0.00003 -0.00001 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 179 4XY 0.00000 0.00000 0.00000 0.00002 0.00002 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00002 0.00002 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 -0.00005 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 0.00001 0.00005 186 22 H 1S 0.00000 0.00000 -0.00236 0.03822 0.00581 187 2S 0.00000 0.00002 -0.00192 0.02241 0.00246 188 23 H 1S 0.00000 0.00000 0.00000 -0.00020 -0.00001 189 2S 0.00003 0.00027 0.00024 -0.00382 -0.00027 106 107 108 109 110 106 2PY 0.43071 107 2PZ 0.00000 0.37881 108 3S 0.00000 0.00000 0.30240 109 3PX 0.00000 0.00000 0.00000 0.10751 110 3PY 0.07004 0.00000 0.00000 0.00000 0.05313 111 3PZ 0.00000 0.09297 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 -0.00699 0.00000 0.00000 113 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 114 4ZZ 0.00000 0.00000 -0.00197 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S -0.00006 -0.00028 0.00128 0.00012 -0.00024 119 2S 0.00171 0.00516 -0.01942 -0.00292 0.00272 120 2PX 0.00661 0.01964 0.00361 0.00059 0.00087 121 2PY -0.00067 0.00301 0.00274 -0.00034 0.00416 122 2PZ 0.00318 0.00253 0.00548 0.00691 0.00110 123 3S -0.00371 0.00745 -0.06779 -0.00104 0.00117 124 3PX 0.00755 0.02076 0.00144 -0.00163 0.00035 125 3PY -0.00375 0.00481 0.00726 -0.00034 0.01064 126 3PZ 0.00399 -0.00207 0.01220 0.00729 0.00218 127 4XX 0.00104 0.00161 0.00209 -0.00128 0.00059 128 4YY 0.00000 0.00028 0.00064 0.00000 -0.00021 129 4ZZ 0.00043 -0.00046 0.00073 0.00114 0.00015 130 4XY 0.00020 0.00115 0.00019 0.00001 0.00021 131 4XZ 0.00034 -0.00008 0.00037 0.00001 0.00003 132 4YZ 0.00018 0.00005 0.00012 0.00021 0.00012 133 15 C 1S 0.00000 0.00000 0.00006 0.00014 0.00007 134 2S -0.00018 -0.00012 -0.00090 -0.00167 -0.00102 135 2PX -0.00014 -0.00041 -0.00264 -0.00116 -0.00012 136 2PY 0.00000 -0.00029 0.00040 -0.00157 -0.00078 137 2PZ -0.00016 -0.00003 -0.00187 -0.00288 -0.00017 138 3S -0.00149 -0.00044 0.00149 -0.00488 -0.00286 139 3PX -0.00093 -0.00124 -0.00468 -0.00073 -0.00046 140 3PY -0.00001 -0.00153 0.00071 -0.00141 -0.00035 141 3PZ -0.00101 0.00036 -0.00045 -0.00620 -0.00134 142 4XX -0.00001 0.00010 0.00003 0.00036 0.00003 143 4YY 0.00000 -0.00004 -0.00023 -0.00041 0.00006 144 4ZZ -0.00001 0.00003 0.00025 0.00021 -0.00012 145 4XY 0.00000 0.00004 0.00002 -0.00009 -0.00004 146 4XZ 0.00000 0.00004 -0.00010 0.00005 0.00002 147 4YZ 0.00000 -0.00001 0.00000 0.00002 -0.00005 148 16 C 1S -0.00287 0.00000 0.00011 0.00000 -0.00013 149 2S 0.04297 0.00000 0.00956 0.00000 0.01038 150 2PX 0.00000 0.00000 0.00000 0.02166 0.00000 151 2PY 0.10300 0.00000 0.03203 0.00000 0.01886 152 2PZ 0.00000 0.01211 0.00000 0.00000 0.00000 153 3S 0.03203 0.00000 -0.01174 0.00000 -0.00774 154 3PX 0.00000 0.00000 0.00000 0.02493 0.00000 155 3PY 0.01886 0.00000 -0.00774 0.00000 0.00238 156 3PZ 0.00000 0.01873 0.00000 0.00000 0.00000 157 4XX -0.00167 0.00000 -0.00101 0.00000 -0.00166 158 4YY 0.00315 0.00000 0.00361 0.00000 0.00143 159 4ZZ -0.00128 0.00000 -0.00207 0.00000 -0.00096 160 4XY 0.00000 0.00000 0.00000 0.00113 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00234 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00006 0.00030 0.00000 164 2S 0.00002 0.00003 -0.00031 0.00313 0.00032 165 18 H 1S 0.00000 0.00000 0.00021 0.00010 -0.00008 166 2S -0.00002 0.00051 0.00239 -0.00042 -0.00054 167 19 O 1S 0.00000 0.00000 -0.00011 0.00000 -0.00014 168 2S -0.00007 -0.00003 0.00175 -0.00001 0.00149 169 2PX -0.00012 -0.00007 -0.00098 0.00024 0.00014 170 2PY -0.00034 -0.00004 -0.00391 0.00057 -0.00411 171 2PZ -0.00014 0.00002 0.00032 -0.00091 -0.00146 172 3S 0.00138 -0.00129 0.01002 0.00118 0.01200 173 3PX -0.00111 -0.00130 -0.00459 -0.00122 0.00131 174 3PY -0.00346 -0.00068 -0.01561 0.00190 -0.00972 175 3PZ -0.00196 -0.00025 0.00201 -0.00340 -0.00487 176 4XX -0.00005 0.00002 0.00008 -0.00011 -0.00029 177 4YY -0.00005 0.00001 -0.00056 -0.00001 -0.00055 178 4ZZ -0.00002 0.00000 -0.00011 0.00004 -0.00014 179 4XY 0.00012 -0.00001 -0.00004 0.00001 0.00009 180 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00007 0.00000 0.00002 0.00002 0.00002 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00012 0.00003 0.00003 184 21 H 1S 0.00000 0.00000 0.00000 0.00004 0.00000 185 2S 0.00000 0.00007 0.00004 0.00100 0.00008 186 22 H 1S 0.03855 0.05488 0.05282 0.00177 0.01253 187 2S 0.02222 0.03132 0.03771 -0.00039 0.01031 188 23 H 1S -0.00045 0.00000 -0.00418 0.00003 -0.00397 189 2S -0.00595 -0.00030 -0.01561 -0.00006 -0.00811 111 112 113 114 115 111 3PZ 0.09326 112 4XX 0.00000 0.00284 113 4YY 0.00000 -0.00027 0.00124 114 4ZZ 0.00000 -0.00019 -0.00008 0.00166 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00146 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00040 -0.00006 0.00001 0.00000 -0.00005 119 2S -0.00508 0.00138 -0.00019 0.00007 0.00089 120 2PX 0.00354 -0.00096 -0.00048 0.00157 0.00038 121 2PY 0.00004 0.00096 0.00017 0.00023 0.00025 122 2PZ -0.00136 0.00397 -0.00031 -0.00055 0.00125 123 3S -0.01271 0.00244 -0.00007 -0.00012 0.00096 124 3PX 0.00188 -0.00195 -0.00143 0.00390 0.00001 125 3PY 0.00017 0.00147 -0.00054 0.00045 0.00071 126 3PZ -0.00724 0.00627 -0.00099 -0.00197 0.00073 127 4XX 0.00141 -0.00007 -0.00001 0.00008 0.00004 128 4YY 0.00012 0.00010 -0.00004 0.00002 0.00002 129 4ZZ -0.00059 -0.00001 0.00001 -0.00001 0.00000 130 4XY 0.00007 -0.00005 0.00001 0.00004 0.00000 131 4XZ 0.00008 0.00003 -0.00003 -0.00001 0.00003 132 4YZ 0.00001 0.00016 0.00000 -0.00003 -0.00002 133 15 C 1S 0.00002 0.00000 0.00000 0.00000 0.00000 134 2S 0.00026 0.00001 -0.00001 0.00002 0.00002 135 2PX -0.00122 0.00005 -0.00002 0.00006 0.00004 136 2PY -0.00112 0.00000 0.00000 0.00003 0.00000 137 2PZ 0.00021 0.00004 -0.00002 0.00003 0.00004 138 3S 0.00277 -0.00004 -0.00010 0.00015 0.00005 139 3PX -0.00116 -0.00001 -0.00015 0.00042 0.00005 140 3PY -0.00109 -0.00017 0.00003 0.00009 -0.00007 141 3PZ 0.00048 0.00044 -0.00013 -0.00008 0.00002 142 4XX 0.00020 -0.00001 0.00000 0.00001 0.00000 143 4YY -0.00032 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00017 0.00001 0.00000 -0.00001 0.00000 145 4XY -0.00003 0.00000 0.00000 0.00001 0.00000 146 4XZ 0.00001 0.00001 0.00000 0.00000 0.00000 147 4YZ -0.00004 0.00001 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 -0.00027 0.00000 0.00000 149 2S 0.00000 -0.00061 0.00367 -0.00064 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00205 151 2PY 0.00000 -0.00167 0.00315 -0.00128 0.00000 152 2PZ 0.01873 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 -0.00101 0.00361 -0.00207 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00113 155 3PY 0.00000 -0.00166 0.00143 -0.00096 0.00000 156 3PZ 0.02710 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00004 -0.00005 0.00000 0.00000 158 4YY 0.00000 -0.00005 -0.00005 -0.00004 0.00000 159 4ZZ 0.00000 0.00000 -0.00004 0.00005 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00113 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00004 0.00000 0.00000 0.00000 0.00000 164 2S -0.00042 -0.00009 0.00001 0.00003 0.00000 165 18 H 1S 0.00018 0.00000 0.00000 0.00000 0.00000 166 2S 0.00259 0.00009 0.00000 -0.00016 -0.00001 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00019 0.00000 0.00000 0.00000 0.00000 169 2PX -0.00032 0.00000 0.00001 0.00000 0.00001 170 2PY 0.00089 0.00000 0.00002 0.00000 0.00001 171 2PZ -0.00037 0.00000 0.00000 0.00000 0.00001 172 3S -0.00278 -0.00009 0.00013 0.00004 0.00003 173 3PX -0.00172 -0.00002 0.00012 0.00008 0.00007 174 3PY 0.00219 -0.00010 0.00036 0.00002 0.00013 175 3PZ -0.00289 0.00004 0.00004 -0.00004 0.00004 176 4XX 0.00020 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00016 0.00000 0.00000 0.00000 0.00001 178 4ZZ -0.00003 0.00000 0.00000 0.00000 0.00000 179 4XY -0.00001 0.00000 0.00001 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 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 0.00015 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00002 0.00000 0.00000 0.00000 0.00000 185 2S 0.00076 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.02524 -0.00145 -0.00033 0.00234 0.00041 187 2S 0.02355 -0.00256 -0.00044 0.00314 0.00010 188 23 H 1S -0.00012 0.00000 0.00001 0.00000 0.00000 189 2S 0.00007 0.00023 -0.00027 0.00027 0.00001 116 117 118 119 120 116 4XZ 0.00147 117 4YZ 0.00000 0.00192 118 14 O 1S -0.00008 -0.00003 2.07557 119 2S 0.00157 0.00056 -0.04159 0.50359 120 2PX 0.00289 0.00116 0.00000 0.00000 0.64791 121 2PY 0.00116 0.00016 0.00000 0.00000 0.00000 122 2PZ 0.00026 -0.00003 0.00000 0.00000 0.00000 123 3S 0.00101 0.00085 -0.04102 0.45246 0.00000 124 3PX 0.00088 0.00070 0.00000 0.00000 0.20361 125 3PY 0.00076 0.00045 0.00000 0.00000 0.00000 126 3PZ -0.00001 0.00002 0.00000 0.00000 0.00000 127 4XX 0.00005 -0.00001 -0.00051 -0.00156 0.00000 128 4YY 0.00009 0.00001 -0.00042 -0.00456 0.00000 129 4ZZ -0.00002 -0.00001 -0.00047 -0.00299 0.00000 130 4XY 0.00013 -0.00003 0.00000 0.00000 0.00000 131 4XZ 0.00005 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 -0.00001 -0.00005 134 2S 0.00001 0.00002 -0.00001 0.00022 0.00251 135 2PX 0.00006 0.00004 -0.00012 0.00238 -0.00016 136 2PY 0.00000 0.00000 -0.00042 0.00832 0.00934 137 2PZ 0.00005 0.00002 -0.00012 0.00236 0.00233 138 3S -0.00005 0.00008 0.00106 -0.01601 0.00165 139 3PX 0.00006 0.00006 0.00013 -0.00145 0.00018 140 3PY -0.00006 -0.00006 -0.00015 0.00066 0.00390 141 3PZ -0.00001 0.00004 0.00011 -0.00118 0.00263 142 4XX 0.00001 0.00000 0.00001 -0.00028 0.00005 143 4YY 0.00000 0.00000 -0.00008 0.00199 0.00137 144 4ZZ 0.00000 0.00000 0.00001 -0.00022 0.00030 145 4XY 0.00001 0.00000 -0.00004 0.00093 -0.00007 146 4XZ 0.00001 0.00000 -0.00001 0.00019 -0.00001 147 4YZ 0.00000 0.00000 -0.00005 0.00114 0.00132 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 -0.00003 -0.00005 150 2PX 0.00000 0.00000 0.00000 -0.00003 0.00010 151 2PY 0.00000 0.00000 0.00000 -0.00007 -0.00012 152 2PZ 0.00000 0.00234 0.00000 -0.00003 -0.00007 153 3S 0.00000 0.00000 -0.00011 0.00175 -0.00098 154 3PX 0.00000 0.00000 0.00000 -0.00001 0.00024 155 3PY 0.00000 0.00000 -0.00014 0.00149 0.00014 156 3PZ 0.00000 0.00113 0.00000 0.00019 -0.00032 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 -0.00018 0.00000 0.00000 0.00001 163 17 H 1S 0.00000 0.00000 0.00000 -0.00005 -0.00023 164 2S 0.00001 -0.00001 0.00006 -0.00107 -0.00553 165 18 H 1S 0.00000 0.00000 0.00000 -0.00004 0.00002 166 2S -0.00003 0.00001 0.00005 -0.00073 0.00089 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00001 0.00000 -0.00001 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S -0.00003 0.00000 -0.00002 0.00039 0.00000 173 3PX 0.00000 0.00007 0.00000 0.00000 0.00005 174 3PY -0.00004 0.00009 0.00002 -0.00063 0.00000 175 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 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 0.00000 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 0.00023 0.00377 0.00000 -0.00006 -0.00004 187 2S 0.00003 0.00064 0.00016 -0.00225 -0.00058 188 23 H 1S 0.00000 0.00004 0.00000 0.00000 0.00000 189 2S 0.00001 0.00022 0.00000 0.00003 0.00010 121 122 123 124 125 121 2PY 0.66560 122 2PZ 0.00000 0.71652 123 3S 0.00000 0.00000 0.75618 124 3PX 0.00000 0.00000 0.00000 0.26578 125 3PY 0.21181 0.00000 0.00000 0.00000 0.26979 126 3PZ 0.00000 0.23212 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 -0.00294 0.00000 0.00000 128 4YY 0.00000 0.00000 -0.01283 0.00000 0.00000 129 4ZZ 0.00000 0.00000 -0.00451 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S -0.00022 -0.00005 0.00084 -0.00032 -0.00300 134 2S 0.01257 0.00249 -0.01440 0.00325 0.02932 135 2PX 0.01062 0.00213 0.00278 -0.00392 0.01402 136 2PY 0.02342 0.01090 0.00788 0.00863 0.01971 137 2PZ 0.01134 -0.00004 0.00307 0.00160 0.01545 138 3S 0.01000 0.00124 -0.06227 0.00174 0.02200 139 3PX 0.00431 0.00176 -0.00434 0.00062 0.00668 140 3PY 0.00085 0.00528 -0.00312 0.00456 -0.00009 141 3PZ 0.00439 0.00255 -0.00504 0.00430 0.00681 142 4XX 0.00007 0.00031 -0.00147 -0.00113 0.00041 143 4YY -0.00048 0.00163 0.00617 0.00172 -0.00079 144 4ZZ 0.00008 0.00002 -0.00165 0.00131 0.00022 145 4XY 0.00225 0.00135 0.00069 0.00056 0.00092 146 4XZ 0.00099 -0.00001 0.00008 0.00004 0.00063 147 4YZ 0.00250 -0.00012 0.00088 0.00085 0.00103 148 16 C 1S 0.00000 0.00000 -0.00001 0.00004 0.00011 149 2S -0.00016 0.00000 -0.00015 -0.00104 -0.00329 150 2PX -0.00010 -0.00008 -0.00043 0.00070 -0.00122 151 2PY -0.00034 -0.00014 0.00138 -0.00111 -0.00346 152 2PZ -0.00004 0.00002 -0.00129 -0.00130 -0.00068 153 3S -0.00391 0.00032 0.01002 -0.00459 -0.01561 154 3PX 0.00057 -0.00091 0.00118 -0.00122 0.00190 155 3PY -0.00411 -0.00146 0.01200 0.00131 -0.00972 156 3PZ 0.00089 -0.00037 -0.00278 -0.00172 0.00219 157 4XX 0.00000 0.00000 -0.00009 -0.00002 -0.00010 158 4YY 0.00002 0.00000 0.00013 0.00012 0.00036 159 4ZZ 0.00000 0.00000 0.00004 0.00008 0.00002 160 4XY 0.00001 0.00001 0.00003 0.00007 0.00013 161 4XZ 0.00000 0.00000 -0.00003 0.00000 -0.00004 162 4YZ 0.00001 0.00000 0.00000 0.00007 0.00009 163 17 H 1S -0.00003 0.00003 -0.00165 -0.00522 -0.00040 164 2S -0.00102 0.00091 -0.00220 -0.02178 -0.00266 165 18 H 1S -0.00003 -0.00026 -0.00186 0.00062 -0.00064 166 2S -0.00090 -0.00755 -0.00585 0.00419 -0.00312 167 19 O 1S 0.00000 0.00000 -0.00002 0.00000 0.00002 168 2S -0.00001 0.00000 0.00039 0.00000 -0.00063 169 2PX 0.00000 0.00000 0.00000 0.00005 0.00000 170 2PY -0.00009 0.00000 -0.00113 0.00000 -0.00629 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S -0.00113 0.00000 0.00661 0.00000 -0.00516 173 3PX 0.00000 0.00000 0.00000 0.00052 0.00000 174 3PY -0.00629 0.00000 -0.00516 0.00000 -0.02518 175 3PZ 0.00000 0.00014 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 -0.00002 0.00000 -0.00006 177 4YY 0.00001 0.00000 -0.00029 0.00000 0.00002 178 4ZZ 0.00000 0.00000 0.00002 0.00000 -0.00005 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 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 0.00000 0.00000 0.00000 -0.00001 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00004 0.00000 0.00000 186 22 H 1S -0.00001 -0.00014 -0.00308 -0.00017 -0.00010 187 2S -0.00012 -0.00325 -0.01369 0.00034 -0.00030 188 23 H 1S 0.00000 0.00000 0.00001 0.00002 0.00003 189 2S 0.00014 -0.00001 0.00029 0.00085 0.00122 126 127 128 129 130 126 3PZ 0.30851 127 4XX 0.00000 0.00104 128 4YY 0.00000 -0.00011 0.00294 129 4ZZ 0.00000 0.00001 -0.00008 0.00079 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00161 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S -0.00029 0.00000 -0.00016 0.00000 -0.00006 134 2S 0.00287 -0.00010 0.00280 -0.00007 0.00071 135 2PX 0.00123 -0.00008 0.00180 0.00002 0.00006 136 2PY 0.01197 -0.00038 0.00191 -0.00017 0.00037 137 2PZ -0.00395 -0.00003 0.00188 -0.00009 0.00043 138 3S -0.00041 0.00031 0.00289 0.00029 0.00025 139 3PX 0.00232 -0.00032 0.00087 0.00001 0.00017 140 3PY 0.00760 -0.00014 0.00032 0.00018 0.00004 141 3PZ 0.00838 -0.00005 0.00093 -0.00026 0.00013 142 4XX 0.00137 0.00003 -0.00001 -0.00004 0.00000 143 4YY 0.00233 -0.00010 -0.00006 -0.00008 0.00009 144 4ZZ -0.00138 -0.00003 0.00002 0.00003 0.00000 145 4XY 0.00087 0.00000 0.00014 -0.00005 0.00000 146 4XZ 0.00003 0.00000 0.00015 0.00000 0.00000 147 4YZ 0.00059 -0.00006 0.00018 0.00000 0.00007 148 16 C 1S -0.00001 0.00000 0.00000 0.00000 0.00000 149 2S 0.00015 0.00000 -0.00003 0.00000 0.00002 150 2PX -0.00130 -0.00001 -0.00001 0.00001 0.00002 151 2PY -0.00196 -0.00005 -0.00005 -0.00002 0.00012 152 2PZ -0.00024 0.00002 0.00001 0.00000 -0.00001 153 3S 0.00201 0.00008 -0.00056 -0.00011 -0.00004 154 3PX -0.00340 -0.00011 -0.00001 0.00004 0.00001 155 3PY -0.00488 -0.00029 -0.00055 -0.00014 0.00009 156 3PZ -0.00289 0.00020 0.00016 -0.00003 -0.00001 157 4XX 0.00004 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00004 0.00000 0.00000 0.00000 0.00001 159 4ZZ -0.00004 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00004 0.00000 0.00001 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ -0.00001 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00076 0.00010 0.00000 -0.00001 0.00003 164 2S 0.00434 0.00072 -0.00028 -0.00023 -0.00009 165 18 H 1S -0.00614 -0.00001 0.00000 0.00009 0.00000 166 2S -0.03002 -0.00022 -0.00014 0.00078 0.00002 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 171 2PZ 0.00014 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 -0.00002 -0.00029 0.00002 0.00000 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 -0.00006 0.00002 -0.00005 0.00000 175 3PZ 0.00163 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00003 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 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 -0.00001 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S -0.00002 0.00000 0.00000 0.00000 0.00000 186 22 H 1S -0.00288 0.00003 0.00000 0.00008 0.00001 187 2S -0.01157 0.00011 0.00015 0.00047 0.00002 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00018 0.00000 0.00002 -0.00001 0.00000 131 132 133 134 135 131 4XZ 0.00045 132 4YZ 0.00000 0.00151 133 15 C 1S -0.00001 -0.00007 2.04980 134 2S 0.00011 0.00087 -0.01427 0.34291 135 2PX 0.00003 0.00054 0.00000 0.00000 0.42805 136 2PY 0.00010 0.00075 0.00000 0.00000 0.00000 137 2PZ 0.00001 0.00002 0.00000 0.00000 0.00000 138 3S 0.00002 0.00030 -0.02762 0.21128 0.00000 139 3PX 0.00007 0.00012 0.00000 0.00000 0.08854 140 3PY -0.00001 0.00005 0.00000 0.00000 0.00000 141 3PZ 0.00005 0.00021 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 -0.00141 0.00019 0.00000 143 4YY -0.00005 0.00010 -0.00104 -0.00728 0.00000 144 4ZZ 0.00000 0.00000 -0.00140 -0.00031 0.00000 145 4XY 0.00000 0.00010 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00002 0.00000 -0.00016 -0.00038 150 2PX 0.00000 0.00002 0.00000 -0.00030 -0.00036 151 2PY 0.00001 0.00007 0.00000 -0.00018 -0.00014 152 2PZ 0.00000 0.00000 0.00000 -0.00012 -0.00041 153 3S 0.00000 0.00002 0.00006 -0.00090 -0.00264 154 3PX 0.00000 0.00002 0.00014 -0.00167 -0.00116 155 3PY 0.00000 0.00002 0.00007 -0.00102 -0.00012 156 3PZ 0.00000 0.00000 0.00002 0.00026 -0.00122 157 4XX 0.00000 0.00000 0.00000 0.00001 0.00005 158 4YY 0.00000 0.00000 0.00000 -0.00001 -0.00002 159 4ZZ 0.00000 0.00000 0.00000 0.00002 0.00006 160 4XY 0.00000 0.00000 0.00000 0.00002 0.00004 161 4XZ 0.00000 0.00000 0.00000 0.00001 0.00006 162 4YZ 0.00000 0.00000 0.00000 0.00002 0.00004 163 17 H 1S 0.00001 0.00000 -0.00189 0.03335 0.09740 164 2S 0.00002 0.00001 -0.00112 0.01682 0.05688 165 18 H 1S 0.00001 0.00003 -0.00189 0.03298 0.00488 166 2S 0.00003 -0.00016 -0.00105 0.01599 0.00409 167 19 O 1S 0.00000 0.00000 0.00000 -0.00001 -0.00012 168 2S 0.00000 0.00000 -0.00001 0.00022 0.00238 169 2PX 0.00000 0.00000 -0.00005 0.00251 -0.00016 170 2PY 0.00000 0.00000 -0.00022 0.01256 0.01062 171 2PZ 0.00000 0.00000 -0.00005 0.00249 0.00213 172 3S 0.00000 0.00000 0.00084 -0.01440 0.00278 173 3PX 0.00000 0.00000 -0.00032 0.00325 -0.00392 174 3PY 0.00000 0.00000 -0.00300 0.02932 0.01402 175 3PZ 0.00000 0.00000 -0.00029 0.00288 0.00123 176 4XX 0.00000 0.00000 0.00000 -0.00010 -0.00008 177 4YY 0.00000 0.00000 -0.00016 0.00280 0.00180 178 4ZZ 0.00000 0.00000 0.00000 -0.00007 0.00002 179 4XY 0.00000 0.00000 -0.00006 0.00071 0.00006 180 4XZ 0.00000 0.00000 -0.00001 0.00011 0.00003 181 4YZ 0.00000 0.00000 -0.00007 0.00087 0.00054 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 0.00006 0.00001 0.00000 0.00000 0.00000 187 2S 0.00007 0.00004 0.00000 0.00020 0.00020 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 -0.00001 0.00000 0.00020 0.00020 136 137 138 139 140 136 2PY 0.29269 137 2PZ 0.00000 0.42487 138 3S 0.00000 0.00000 0.23348 139 3PX 0.00000 0.00000 0.00000 0.06207 140 3PY 0.04043 0.00000 0.00000 0.00000 0.02606 141 3PZ 0.00000 0.08272 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00151 0.00000 0.00000 143 4YY 0.00000 0.00000 -0.00812 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00201 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00009 0.00018 0.00001 149 2S -0.00003 -0.00024 -0.00098 -0.00203 -0.00026 150 2PX -0.00032 -0.00061 -0.00291 -0.00095 -0.00173 151 2PY 0.00000 -0.00016 -0.00149 -0.00093 -0.00001 152 2PZ -0.00029 -0.00003 -0.00044 -0.00124 -0.00153 153 3S 0.00040 -0.00187 0.00149 -0.00468 0.00071 154 3PX -0.00157 -0.00288 -0.00488 -0.00073 -0.00141 155 3PY -0.00078 -0.00017 -0.00286 -0.00046 -0.00035 156 3PZ -0.00112 0.00021 0.00277 -0.00117 -0.00109 157 4XX 0.00000 0.00004 -0.00004 -0.00001 -0.00017 158 4YY 0.00000 -0.00002 -0.00010 -0.00015 0.00003 159 4ZZ 0.00003 0.00003 0.00015 0.00042 0.00009 160 4XY 0.00000 0.00004 0.00005 0.00005 -0.00007 161 4XZ 0.00000 0.00005 -0.00005 0.00006 -0.00006 162 4YZ 0.00000 0.00002 0.00008 0.00006 -0.00006 163 17 H 1S 0.00000 0.00385 0.03985 0.04873 0.00000 164 2S 0.00000 0.00314 0.02109 0.04010 0.00000 165 18 H 1S 0.00000 0.09572 0.04348 0.00168 0.00000 166 2S 0.00000 0.05685 0.03018 0.00184 0.00000 167 19 O 1S -0.00042 -0.00012 0.00106 0.00013 -0.00015 168 2S 0.00832 0.00236 -0.01601 -0.00145 0.00066 169 2PX 0.00934 0.00233 0.00165 0.00018 0.00390 170 2PY 0.02341 0.01135 0.01000 0.00431 0.00085 171 2PZ 0.01090 -0.00004 0.00124 0.00177 0.00528 172 3S 0.00788 0.00308 -0.06226 -0.00434 -0.00312 173 3PX 0.00862 0.00160 0.00174 0.00062 0.00455 174 3PY 0.01969 0.01545 0.02199 0.00668 -0.00009 175 3PZ 0.01198 -0.00395 -0.00041 0.00232 0.00761 176 4XX -0.00038 -0.00003 0.00031 -0.00032 -0.00014 177 4YY 0.00191 0.00188 0.00289 0.00087 0.00032 178 4ZZ -0.00017 -0.00009 0.00029 0.00001 0.00018 179 4XY 0.00036 0.00043 0.00025 0.00017 0.00004 180 4XZ 0.00010 0.00001 0.00002 0.00007 -0.00001 181 4YZ 0.00075 0.00002 0.00030 0.00012 0.00005 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00002 -0.00002 -0.00001 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00002 -0.00002 -0.00001 186 22 H 1S 0.00000 0.00000 0.00014 0.00015 0.00019 187 2S 0.00017 0.00029 0.00131 0.00123 0.00115 188 23 H 1S 0.00000 0.00000 0.00014 0.00015 0.00018 189 2S 0.00017 0.00029 0.00131 0.00123 0.00115 141 142 143 144 145 141 3PZ 0.06494 142 4XX 0.00000 0.00335 143 4YY 0.00000 -0.00041 0.00343 144 4ZZ 0.00000 -0.00055 -0.00046 0.00350 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00248 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00012 0.00000 0.00000 0.00000 0.00000 149 2S -0.00154 0.00004 -0.00002 0.00001 0.00002 150 2PX -0.00361 0.00011 -0.00006 0.00007 0.00000 151 2PY -0.00101 -0.00001 0.00000 -0.00001 0.00000 152 2PZ 0.00036 0.00010 -0.00004 0.00003 0.00004 153 3S -0.00045 0.00003 -0.00023 0.00025 0.00002 154 3PX -0.00620 0.00036 -0.00041 0.00021 -0.00009 155 3PY -0.00134 0.00003 0.00006 -0.00012 -0.00004 156 3PZ 0.00048 0.00020 -0.00032 0.00017 -0.00003 157 4XX 0.00044 -0.00001 0.00000 0.00001 0.00000 158 4YY -0.00013 0.00000 0.00000 0.00000 0.00000 159 4ZZ -0.00008 0.00001 0.00000 -0.00001 0.00001 160 4XY 0.00002 0.00000 0.00000 0.00000 0.00000 161 4XZ -0.00001 0.00001 0.00000 0.00000 0.00001 162 4YZ 0.00004 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00026 0.00897 -0.00137 -0.00146 0.00000 164 2S -0.00020 0.00902 -0.00240 -0.00536 0.00000 165 18 H 1S 0.04186 -0.00142 -0.00145 0.00894 0.00000 166 2S 0.02575 -0.00569 -0.00314 0.01031 0.00000 167 19 O 1S 0.00011 0.00001 -0.00008 0.00001 -0.00004 168 2S -0.00119 -0.00028 0.00199 -0.00022 0.00093 169 2PX 0.00263 0.00005 0.00137 0.00030 -0.00007 170 2PY 0.00439 0.00007 -0.00048 0.00008 0.00225 171 2PZ 0.00255 0.00031 0.00163 0.00002 0.00135 172 3S -0.00504 -0.00147 0.00617 -0.00165 0.00069 173 3PX 0.00430 -0.00113 0.00172 0.00131 0.00056 174 3PY 0.00682 0.00041 -0.00079 0.00022 0.00092 175 3PZ 0.00837 0.00137 0.00233 -0.00138 0.00087 176 4XX -0.00005 0.00003 -0.00010 -0.00003 0.00000 177 4YY 0.00093 -0.00001 -0.00006 0.00002 0.00014 178 4ZZ -0.00026 -0.00004 -0.00008 0.00003 -0.00005 179 4XY 0.00013 0.00000 0.00009 0.00000 0.00000 180 4XZ 0.00005 0.00000 -0.00005 0.00000 0.00000 181 4YZ 0.00021 0.00000 0.00010 0.00000 0.00010 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 0.00008 0.00000 0.00000 0.00000 0.00000 187 2S 0.00056 0.00001 0.00001 -0.00003 0.00000 188 23 H 1S 0.00008 0.00000 0.00000 0.00000 0.00000 189 2S 0.00056 0.00001 0.00001 -0.00003 0.00000 146 147 148 149 150 146 4XZ 0.00106 147 4YZ 0.00000 0.00274 148 16 C 1S 0.00000 0.00000 2.05255 149 2S 0.00001 0.00000 -0.01389 0.33288 150 2PX 0.00009 0.00004 0.00000 0.00000 0.34621 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00004 -0.00001 0.00000 0.00000 0.00000 153 3S -0.00010 0.00000 -0.03170 0.22132 0.00000 154 3PX 0.00005 0.00002 0.00000 0.00000 0.09508 155 3PY 0.00002 -0.00005 0.00000 0.00000 0.00000 156 3PZ 0.00001 -0.00004 0.00000 0.00000 0.00000 157 4XX 0.00001 0.00001 -0.00093 -0.00929 0.00000 158 4YY 0.00000 0.00000 -0.00136 -0.00072 0.00000 159 4ZZ 0.00000 0.00000 -0.00124 -0.00291 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00049 0.00000 0.00000 0.00000 0.00000 164 2S 0.00008 0.00000 0.00000 0.00017 0.00068 165 18 H 1S 0.00061 0.00000 0.00000 0.00000 0.00000 166 2S 0.00010 0.00000 0.00000 0.00009 -0.00002 167 19 O 1S -0.00001 -0.00005 0.00000 -0.00006 -0.00048 168 2S 0.00019 0.00114 -0.00002 0.00104 0.00849 169 2PX -0.00001 0.00132 -0.00024 0.01219 0.01590 170 2PY 0.00099 0.00250 -0.00005 0.00218 0.00602 171 2PZ -0.00001 -0.00012 -0.00011 0.00477 0.01887 172 3S 0.00008 0.00088 0.00061 -0.00735 0.01469 173 3PX 0.00004 0.00085 -0.00226 0.02342 0.01029 174 3PY 0.00063 0.00103 -0.00071 0.00626 0.00942 175 3PZ 0.00003 0.00059 -0.00096 0.00742 0.01888 176 4XX 0.00000 -0.00006 -0.00009 0.00127 -0.00098 177 4YY 0.00015 0.00018 -0.00001 0.00012 0.00061 178 4ZZ 0.00000 0.00000 -0.00001 0.00009 0.00030 179 4XY 0.00000 0.00007 -0.00008 0.00088 0.00084 180 4XZ 0.00000 0.00000 -0.00015 0.00130 0.00070 181 4YZ 0.00000 0.00000 -0.00004 0.00036 0.00123 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00001 0.00005 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00001 186 22 H 1S 0.00000 0.00000 0.00000 -0.00020 -0.00001 187 2S 0.00000 0.00000 0.00024 -0.00382 -0.00027 188 23 H 1S 0.00000 0.00000 -0.00236 0.03823 0.00581 189 2S 0.00000 0.00000 -0.00192 0.02241 0.00247 151 152 153 154 155 151 2PY 0.43069 152 2PZ 0.00000 0.37882 153 3S 0.00000 0.00000 0.30238 154 3PX 0.00000 0.00000 0.00000 0.10752 155 3PY 0.07004 0.00000 0.00000 0.00000 0.05313 156 3PZ 0.00000 0.09297 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 -0.00699 0.00000 0.00000 158 4YY 0.00000 0.00000 -0.00002 0.00000 0.00000 159 4ZZ 0.00000 0.00000 -0.00197 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00006 0.00030 0.00000 164 2S 0.00002 0.00003 -0.00031 0.00313 0.00032 165 18 H 1S 0.00000 0.00000 0.00021 0.00010 -0.00008 166 2S -0.00002 0.00051 0.00239 -0.00042 -0.00054 167 19 O 1S -0.00006 -0.00028 0.00128 0.00012 -0.00024 168 2S 0.00171 0.00516 -0.01942 -0.00292 0.00273 169 2PX 0.00661 0.01963 0.00361 0.00059 0.00088 170 2PY -0.00067 0.00301 0.00274 -0.00034 0.00415 171 2PZ 0.00318 0.00253 0.00548 0.00691 0.00111 172 3S -0.00371 0.00746 -0.06778 -0.00104 0.00117 173 3PX 0.00756 0.02076 0.00144 -0.00163 0.00035 174 3PY -0.00375 0.00481 0.00726 -0.00034 0.01064 175 3PZ 0.00399 -0.00207 0.01220 0.00728 0.00218 176 4XX 0.00104 0.00161 0.00209 -0.00128 0.00059 177 4YY 0.00000 0.00028 0.00064 0.00000 -0.00021 178 4ZZ 0.00043 -0.00046 0.00073 0.00113 0.00015 179 4XY 0.00020 0.00115 0.00019 0.00001 0.00021 180 4XZ 0.00034 -0.00008 0.00037 0.00001 0.00003 181 4YZ 0.00018 0.00005 0.00012 0.00021 0.00012 182 20 H 1S 0.00000 0.00000 0.00000 0.00004 0.00000 183 2S 0.00000 0.00007 0.00004 0.00100 0.00008 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00012 0.00003 0.00003 186 22 H 1S -0.00045 0.00000 -0.00418 0.00003 -0.00397 187 2S -0.00595 -0.00030 -0.01561 -0.00006 -0.00811 188 23 H 1S 0.03853 0.05489 0.05282 0.00177 0.01252 189 2S 0.02221 0.03133 0.03771 -0.00039 0.01031 156 157 158 159 160 156 3PZ 0.09326 157 4XX 0.00000 0.00284 158 4YY 0.00000 -0.00027 0.00124 159 4ZZ 0.00000 -0.00019 -0.00008 0.00166 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00146 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00004 0.00000 0.00000 0.00000 0.00000 164 2S -0.00042 -0.00009 0.00001 0.00003 0.00000 165 18 H 1S 0.00018 0.00000 0.00000 0.00000 0.00000 166 2S 0.00259 0.00009 0.00000 -0.00016 -0.00001 167 19 O 1S 0.00040 -0.00006 0.00001 0.00000 -0.00005 168 2S -0.00508 0.00138 -0.00019 0.00007 0.00089 169 2PX 0.00354 -0.00096 -0.00048 0.00157 0.00038 170 2PY 0.00004 0.00096 0.00017 0.00023 0.00025 171 2PZ -0.00136 0.00397 -0.00031 -0.00055 0.00125 172 3S -0.01270 0.00244 -0.00007 -0.00012 0.00096 173 3PX 0.00188 -0.00195 -0.00143 0.00390 0.00001 174 3PY 0.00017 0.00147 -0.00054 0.00045 0.00071 175 3PZ -0.00724 0.00627 -0.00099 -0.00197 0.00073 176 4XX 0.00141 -0.00007 -0.00001 0.00008 0.00004 177 4YY 0.00012 0.00010 -0.00004 0.00002 0.00002 178 4ZZ -0.00059 -0.00001 0.00001 -0.00001 0.00000 179 4XY 0.00007 -0.00005 0.00001 0.00004 0.00000 180 4XZ 0.00008 0.00003 -0.00003 -0.00001 0.00003 181 4YZ 0.00001 0.00016 0.00000 -0.00003 -0.00002 182 20 H 1S 0.00002 0.00000 0.00000 0.00000 0.00000 183 2S 0.00076 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00015 0.00000 0.00000 0.00000 0.00000 186 22 H 1S -0.00012 0.00000 0.00001 0.00000 0.00000 187 2S 0.00007 0.00023 -0.00027 0.00027 0.00001 188 23 H 1S 0.02525 -0.00145 -0.00033 0.00234 0.00041 189 2S 0.02356 -0.00256 -0.00044 0.00314 0.00010 161 162 163 164 165 161 4XZ 0.00147 162 4YZ 0.00000 0.00192 163 17 H 1S 0.00000 0.00000 0.22350 164 2S 0.00001 -0.00001 0.11454 0.16572 165 18 H 1S 0.00000 0.00000 -0.00073 -0.01185 0.22401 166 2S -0.00003 0.00001 -0.01284 -0.04733 0.12138 167 19 O 1S -0.00008 -0.00003 0.00000 0.00006 0.00000 168 2S 0.00157 0.00056 -0.00005 -0.00107 -0.00004 169 2PX 0.00289 0.00116 -0.00023 -0.00553 0.00002 170 2PY 0.00116 0.00016 -0.00003 -0.00102 -0.00003 171 2PZ 0.00026 -0.00003 0.00003 0.00091 -0.00026 172 3S 0.00101 0.00085 -0.00165 -0.00220 -0.00186 173 3PX 0.00088 0.00070 -0.00522 -0.02177 0.00062 174 3PY 0.00077 0.00045 -0.00040 -0.00267 -0.00064 175 3PZ -0.00001 0.00002 0.00076 0.00434 -0.00614 176 4XX 0.00005 -0.00001 0.00010 0.00072 -0.00001 177 4YY 0.00009 0.00001 0.00000 -0.00028 0.00000 178 4ZZ -0.00002 -0.00001 -0.00001 -0.00023 0.00009 179 4XY 0.00013 -0.00003 0.00003 -0.00009 0.00000 180 4XZ 0.00005 0.00000 0.00001 0.00002 0.00001 181 4YZ 0.00001 0.00000 0.00000 0.00001 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 0.00004 0.00000 0.00000 0.00000 187 2S 0.00001 0.00022 0.00000 0.00008 -0.00001 188 23 H 1S 0.00023 0.00377 0.00000 0.00000 0.00000 189 2S 0.00003 0.00064 0.00000 0.00008 -0.00001 166 167 168 169 170 166 2S 0.19878 167 19 O 1S 0.00005 2.07557 168 2S -0.00073 -0.04159 0.50359 169 2PX 0.00089 0.00000 0.00000 0.64791 170 2PY -0.00090 0.00000 0.00000 0.00000 0.66562 171 2PZ -0.00756 0.00000 0.00000 0.00000 0.00000 172 3S -0.00585 -0.04102 0.45246 0.00000 0.00000 173 3PX 0.00419 0.00000 0.00000 0.20361 0.00000 174 3PY -0.00312 0.00000 0.00000 0.00000 0.21182 175 3PZ -0.03003 0.00000 0.00000 0.00000 0.00000 176 4XX -0.00022 -0.00051 -0.00156 0.00000 0.00000 177 4YY -0.00014 -0.00042 -0.00456 0.00000 0.00000 178 4ZZ 0.00078 -0.00047 -0.00299 0.00000 0.00000 179 4XY 0.00002 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00003 0.00000 0.00000 0.00000 0.00000 181 4YZ -0.00016 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 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00008 0.00000 0.00000 0.00000 0.00000 186 22 H 1S -0.00001 0.00000 0.00000 0.00000 0.00000 187 2S -0.00038 0.00000 0.00003 0.00010 0.00014 188 23 H 1S -0.00001 0.00000 -0.00006 -0.00004 -0.00001 189 2S -0.00038 0.00016 -0.00225 -0.00058 -0.00012 171 172 173 174 175 171 2PZ 0.71650 172 3S 0.00000 0.75617 173 3PX 0.00000 0.00000 0.26577 174 3PY 0.00000 0.00000 0.00000 0.26980 175 3PZ 0.23211 0.00000 0.00000 0.00000 0.30849 176 4XX 0.00000 -0.00294 0.00000 0.00000 0.00000 177 4YY 0.00000 -0.01283 0.00000 0.00000 0.00000 178 4ZZ 0.00000 -0.00451 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 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 0.00000 0.00004 0.00000 0.00000 -0.00002 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 -0.00001 0.00000 -0.00001 186 22 H 1S 0.00000 0.00001 0.00002 0.00003 0.00000 187 2S -0.00001 0.00029 0.00085 0.00122 -0.00018 188 23 H 1S -0.00014 -0.00308 -0.00017 -0.00010 -0.00288 189 2S -0.00325 -0.01369 0.00033 -0.00030 -0.01157 176 177 178 179 180 176 4XX 0.00104 177 4YY -0.00011 0.00294 178 4ZZ 0.00001 -0.00008 0.00079 179 4XY 0.00000 0.00000 0.00000 0.00161 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00045 181 4YZ 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 0.00000 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 0.00002 -0.00001 0.00000 0.00000 188 23 H 1S 0.00003 0.00000 0.00008 0.00001 0.00006 189 2S 0.00011 0.00015 0.00047 0.00002 0.00007 181 182 183 184 185 181 4YZ 0.00151 182 20 H 1S 0.00000 0.21529 183 2S 0.00000 0.11394 0.15893 184 21 H 1S 0.00000 -0.00005 -0.00202 0.21529 185 2S 0.00000 -0.00202 -0.00835 0.11394 0.15893 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00001 0.00000 0.00000 0.00000 -0.00006 188 23 H 1S 0.00001 0.00000 0.00000 0.00000 0.00000 189 2S 0.00004 0.00000 -0.00006 0.00000 0.00000 186 187 188 189 186 22 H 1S 0.21549 187 2S 0.10062 0.12396 188 23 H 1S 0.00000 -0.00015 0.21549 189 2S -0.00015 0.00011 0.10062 0.12396 Gross orbital populations: 1 1 1 C 1S 1.99191 2 2S 0.70501 3 2PX 0.64895 4 2PY 0.74795 5 2PZ 0.68316 6 3S 0.50002 7 3PX 0.32195 8 3PY 0.20204 9 3PZ 0.30110 10 4XX -0.01176 11 4YY 0.00155 12 4ZZ -0.00528 13 4XY 0.00869 14 4XZ 0.00540 15 4YZ 0.00997 16 2 C 1S 1.99262 17 2S 0.70383 18 2PX 0.61237 19 2PY 0.72535 20 2PZ 0.68244 21 3S 0.59620 22 3PX 0.32767 23 3PY 0.24311 24 3PZ 0.25795 25 4XX -0.01515 26 4YY 0.01157 27 4ZZ -0.00535 28 4XY 0.00395 29 4XZ 0.00662 30 4YZ 0.00631 31 3 C 1S 1.99220 32 2S 0.68132 33 2PX 0.72499 34 2PY 0.68460 35 2PZ 0.69614 36 3S 0.58935 37 3PX 0.33283 38 3PY 0.27009 39 3PZ 0.28728 40 4XX 0.00505 41 4YY -0.00217 42 4ZZ -0.00062 43 4XY 0.00716 44 4XZ 0.00969 45 4YZ 0.00762 46 4 C 1S 1.99220 47 2S 0.68132 48 2PX 0.72499 49 2PY 0.68460 50 2PZ 0.69614 51 3S 0.58935 52 3PX 0.33284 53 3PY 0.27010 54 3PZ 0.28727 55 4XX 0.00505 56 4YY -0.00217 57 4ZZ -0.00062 58 4XY 0.00716 59 4XZ 0.00968 60 4YZ 0.00762 61 5 C 1S 1.99262 62 2S 0.70383 63 2PX 0.61235 64 2PY 0.72536 65 2PZ 0.68244 66 3S 0.59618 67 3PX 0.32768 68 3PY 0.24310 69 3PZ 0.25796 70 4XX -0.01515 71 4YY 0.01157 72 4ZZ -0.00535 73 4XY 0.00395 74 4XZ 0.00662 75 4YZ 0.00631 76 6 C 1S 1.99191 77 2S 0.70501 78 2PX 0.64895 79 2PY 0.74796 80 2PZ 0.68314 81 3S 0.50002 82 3PX 0.32197 83 3PY 0.20202 84 3PZ 0.30110 85 4XX -0.01176 86 4YY 0.00154 87 4ZZ -0.00528 88 4XY 0.00869 89 4XZ 0.00540 90 4YZ 0.00997 91 7 H 1S 0.53307 92 2S 0.35110 93 8 H 1S 0.53359 94 2S 0.34361 95 9 H 1S 0.53199 96 2S 0.32148 97 10 H 1S 0.53199 98 2S 0.32146 99 11 H 1S 0.53359 100 2S 0.34361 101 12 H 1S 0.53307 102 2S 0.35110 103 13 C 1S 1.99219 104 2S 0.70394 105 2PX 0.59316 106 2PY 0.75710 107 2PZ 0.65429 108 3S 0.49499 109 3PX 0.25385 110 3PY 0.17400 111 3PZ 0.26763 112 4XX -0.00742 113 4YY 0.00527 114 4ZZ -0.00003 115 4XY 0.01112 116 4XZ 0.01091 117 4YZ 0.01425 118 14 O 1S 1.99234 119 2S 0.89932 120 2PX 0.93698 121 2PY 0.96356 122 2PZ 1.01236 123 3S 1.00625 124 3PX 0.52122 125 3PY 0.55959 126 3PZ 0.56879 127 4XX 0.00128 128 4YY -0.00122 129 4ZZ -0.00484 130 4XY 0.00765 131 4XZ 0.00371 132 4YZ 0.00696 133 15 C 1S 1.99193 134 2S 0.70992 135 2PX 0.73003 136 2PY 0.53059 137 2PZ 0.72491 138 3S 0.45533 139 3PX 0.24766 140 3PY 0.09849 141 3PZ 0.23699 142 4XX 0.01406 143 4YY 0.00335 144 4ZZ 0.01373 145 4XY 0.01768 146 4XZ 0.00681 147 4YZ 0.01937 148 16 C 1S 1.99219 149 2S 0.70394 150 2PX 0.59317 151 2PY 0.75708 152 2PZ 0.65431 153 3S 0.49498 154 3PX 0.25386 155 3PY 0.17399 156 3PZ 0.26763 157 4XX -0.00743 158 4YY 0.00526 159 4ZZ -0.00003 160 4XY 0.01112 161 4XZ 0.01091 162 4YZ 0.01425 163 17 H 1S 0.54013 164 2S 0.30933 165 18 H 1S 0.54161 166 2S 0.31784 167 19 O 1S 1.99234 168 2S 0.89932 169 2PX 0.93697 170 2PY 0.96358 171 2PZ 1.01234 172 3S 1.00625 173 3PX 0.52123 174 3PY 0.55961 175 3PZ 0.56877 176 4XX 0.00128 177 4YY -0.00122 178 4ZZ -0.00484 179 4XY 0.00765 180 4XZ 0.00371 181 4YZ 0.00696 182 20 H 1S 0.52953 183 2S 0.32410 184 21 H 1S 0.52953 185 2S 0.32409 186 22 H 1S 0.52971 187 2S 0.30213 188 23 H 1S 0.52970 189 2S 0.30213 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.906266 0.553401 -0.023518 -0.031232 -0.043943 0.509928 2 C 0.553401 4.999289 0.374473 -0.033020 -0.022711 -0.043944 3 C -0.023518 0.374473 5.060580 0.333679 -0.033027 -0.031229 4 C -0.031232 -0.033020 0.333679 5.060600 0.374478 -0.023519 5 C -0.043943 -0.022711 -0.033027 0.374478 4.999248 0.553435 6 C 0.509928 -0.043944 -0.031229 -0.023519 0.553435 4.906197 7 H 0.367131 -0.052128 0.005698 -0.000156 0.006077 -0.051750 8 H -0.042416 0.361915 -0.051199 0.005215 0.000137 0.007379 9 H 0.003494 -0.033811 0.352751 -0.027677 0.001390 0.001073 10 H 0.001074 0.001387 -0.027675 0.352741 -0.033822 0.003492 11 H 0.007379 0.000137 0.005215 -0.051200 0.361913 -0.042415 12 H -0.051752 0.006077 -0.000156 0.005698 -0.052126 0.367130 13 C -0.016904 0.109667 -0.004126 -0.014419 -0.006325 -0.022830 14 O 0.000580 -0.010799 -0.004492 0.000320 -0.000388 0.000474 15 C -0.000126 0.000260 -0.000448 -0.000449 0.000260 -0.000126 16 C -0.022839 -0.006325 -0.014423 -0.004115 0.109649 -0.016884 17 H 0.000006 -0.000074 0.000066 0.000065 -0.000074 0.000006 18 H -0.000062 0.000715 0.000521 0.000523 0.000715 -0.000062 19 O 0.000474 -0.000389 0.000321 -0.004502 -0.010793 0.000580 20 H 0.001687 0.002385 -0.034061 0.375818 -0.039430 -0.005860 21 H -0.005866 -0.039438 0.375820 -0.034060 0.002383 0.001689 22 H -0.004215 -0.018631 0.000462 0.000286 0.001041 0.002106 23 H 0.002107 0.001041 0.000286 0.000460 -0.018621 -0.004214 7 8 9 10 11 12 1 C 0.367131 -0.042416 0.003494 0.001074 0.007379 -0.051752 2 C -0.052128 0.361915 -0.033811 0.001387 0.000137 0.006077 3 C 0.005698 -0.051199 0.352751 -0.027675 0.005215 -0.000156 4 C -0.000156 0.005215 -0.027677 0.352741 -0.051200 0.005698 5 C 0.006077 0.000137 0.001390 -0.033822 0.361913 -0.052126 6 C -0.051750 0.007379 0.001073 0.003492 -0.042415 0.367130 7 H 0.624218 -0.007994 -0.000199 0.000017 -0.000145 -0.007408 8 H -0.007994 0.613631 -0.000667 -0.000156 -0.000004 -0.000145 9 H -0.000199 -0.000667 0.605942 -0.012412 -0.000156 0.000017 10 H 0.000017 -0.000156 -0.012412 0.605954 -0.000665 -0.000199 11 H -0.000145 -0.000004 -0.000156 -0.000665 0.613633 -0.007995 12 H -0.007408 -0.000145 0.000017 -0.000199 -0.007995 0.624219 13 C 0.000631 -0.008905 -0.010500 0.000553 0.001099 -0.000074 14 O -0.000014 0.000524 0.013072 0.000124 -0.000011 0.000001 15 C 0.000000 -0.000038 -0.000291 -0.000292 -0.000038 0.000000 16 C -0.000074 0.001100 0.000554 -0.010515 -0.008900 0.000631 17 H 0.000000 0.000000 0.000259 0.000259 0.000000 0.000000 18 H 0.000000 0.000009 -0.001802 -0.001806 0.000009 0.000000 19 O 0.000001 -0.000011 0.000123 0.013086 0.000523 -0.000014 20 H -0.000001 -0.000112 0.004404 -0.042571 -0.000657 -0.000050 21 H -0.000050 -0.000655 -0.042566 0.004406 -0.000112 -0.000001 22 H 0.000298 -0.000381 0.000522 -0.000050 -0.000034 0.000020 23 H 0.000020 -0.000034 -0.000050 0.000523 -0.000379 0.000298 13 14 15 16 17 18 1 C -0.016904 0.000580 -0.000126 -0.022839 0.000006 -0.000062 2 C 0.109667 -0.010799 0.000260 -0.006325 -0.000074 0.000715 3 C -0.004126 -0.004492 -0.000448 -0.014423 0.000066 0.000521 4 C -0.014419 0.000320 -0.000449 -0.004115 0.000065 0.000523 5 C -0.006325 -0.000388 0.000260 0.109649 -0.000074 0.000715 6 C -0.022830 0.000474 -0.000126 -0.016884 0.000006 -0.000062 7 H 0.000631 -0.000014 0.000000 -0.000074 0.000000 0.000000 8 H -0.008905 0.000524 -0.000038 0.001100 0.000000 0.000009 9 H -0.010500 0.013072 -0.000291 0.000554 0.000259 -0.001802 10 H 0.000553 0.000124 -0.000292 -0.010515 0.000259 -0.001806 11 H 0.001099 -0.000011 -0.000038 -0.008900 0.000000 0.000009 12 H -0.000074 0.000001 0.000000 0.000631 0.000000 0.000000 13 C 4.923714 0.230647 -0.058176 0.490222 0.003982 0.004888 14 O 0.230647 8.190573 0.255656 -0.039176 -0.035470 -0.050949 15 C -0.058176 0.255656 4.669071 -0.058174 0.366229 0.360619 16 C 0.490222 -0.039176 -0.058174 4.923717 0.003983 0.004888 17 H 0.003982 -0.035470 0.366229 0.003983 0.618287 -0.072752 18 H 0.004888 -0.050949 0.360619 0.004888 -0.072752 0.665552 19 O -0.039178 -0.042486 0.255653 0.230651 -0.035468 -0.050948 20 H 0.000341 -0.000028 -0.000014 0.002064 -0.000002 0.000088 21 H 0.002065 0.000029 -0.000014 0.000341 -0.000002 0.000088 22 H 0.381034 -0.036732 0.005649 -0.042178 0.000081 -0.000394 23 H -0.042177 0.002500 0.005649 0.381030 0.000081 -0.000394 19 20 21 22 23 1 C 0.000474 0.001687 -0.005866 -0.004215 0.002107 2 C -0.000389 0.002385 -0.039438 -0.018631 0.001041 3 C 0.000321 -0.034061 0.375820 0.000462 0.000286 4 C -0.004502 0.375818 -0.034060 0.000286 0.000460 5 C -0.010793 -0.039430 0.002383 0.001041 -0.018621 6 C 0.000580 -0.005860 0.001689 0.002106 -0.004214 7 H 0.000001 -0.000001 -0.000050 0.000298 0.000020 8 H -0.000011 -0.000112 -0.000655 -0.000381 -0.000034 9 H 0.000123 0.004404 -0.042566 0.000522 -0.000050 10 H 0.013086 -0.042571 0.004406 -0.000050 0.000523 11 H 0.000523 -0.000657 -0.000112 -0.000034 -0.000379 12 H -0.000014 -0.000050 -0.000001 0.000020 0.000298 13 C -0.039178 0.000341 0.002065 0.381034 -0.042177 14 O -0.042486 -0.000028 0.000029 -0.036732 0.002500 15 C 0.255653 -0.000014 -0.000014 0.005649 0.005649 16 C 0.230651 0.002064 0.000341 -0.042178 0.381030 17 H -0.035468 -0.000002 -0.000002 0.000081 0.000081 18 H -0.050948 0.000088 0.000088 -0.000394 -0.000394 19 O 8.190558 0.000029 -0.000028 0.002500 -0.036732 20 H 0.000029 0.602096 -0.012447 0.000003 -0.000059 21 H -0.000028 -0.012447 0.602093 -0.000059 0.000003 22 H 0.002500 0.000003 -0.000059 0.540700 -0.000192 23 H -0.036732 -0.000059 0.000003 -0.000192 0.540690 Mulliken charges: 1 1 C -0.110652 2 C -0.149478 3 C -0.285516 4 C -0.285535 5 C -0.149465 6 C -0.110655 7 H 0.115826 8 H 0.122809 9 H 0.146531 10 H 0.146546 11 H 0.122802 12 H 0.115828 13 C 0.074772 14 O -0.473953 15 C 0.199143 16 C 0.074773 17 H 0.150537 18 H 0.140552 19 O -0.473950 20 H 0.146375 21 H 0.146382 22 H 0.168165 23 H 0.168164 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.005174 2 C -0.026669 3 C 0.007397 4 C 0.007386 5 C -0.026664 6 C 0.005173 13 C 0.242937 14 O -0.473953 15 C 0.490232 16 C 0.242937 19 O -0.473950 APT charges: 1 1 C -0.405437 2 C -0.691006 3 C -0.855579 4 C -0.855512 5 C -0.691042 6 C -0.405427 7 H 0.579664 8 H 0.476032 9 H 0.329326 10 H 0.329255 11 H 0.476068 12 H 0.579686 13 C -0.405194 14 O -0.299667 15 C -0.600466 16 C -0.405219 17 H 0.656909 18 H 0.335228 19 O -0.299655 20 H 0.553110 21 H 0.553096 22 H 0.522914 23 H 0.522917 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 C 0.174227 2 C -0.214975 3 C 0.026843 4 C 0.026853 5 C -0.214974 6 C 0.174259 13 C 0.117720 14 O -0.299667 15 C 0.391671 16 C 0.117698 19 O -0.299655 Electronic spatial extent (au): = 1462.8664 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= 0.0000 XZ= 2.5925 YZ= -0.0006 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -1.5896 YY= -1.7849 ZZ= 3.3745 XY= 0.0000 XZ= 2.5925 YZ= -0.0006 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 35.3307 YYY= 0.0014 ZZZ= -4.5902 XYY= -4.5858 XXY= -0.0013 XXZ= 2.3237 XZZ= 4.2927 YZZ= -0.0003 YYZ= -4.6298 XYZ= -0.0010 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1027.3317 YYYY= -454.0203 ZZZZ= -400.8117 XXXY= -0.0010 XXXZ= 25.2473 YYYX= 0.0022 YYYZ= -0.0012 ZZZX= -1.4230 ZZZY= 0.0020 XXYY= -270.3034 XXZZ= -230.4581 YYZZ= -137.0172 XXYZ= -0.0021 YYXZ= 2.4754 ZZXY= 0.0008 N-N= 6.505347088001D+02 E-N=-2.466037917382D+03 KE= 4.958567359705D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.176836 29.026219 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 -1.107170 2.296507 13 O -1.013195 2.785728 14 O -0.829084 1.400527 15 O -0.765909 1.721683 16 O -0.733696 1.473755 17 O -0.728678 1.513929 18 O -0.643757 1.895237 19 O -0.614530 1.756535 20 O -0.603989 1.457206 21 O -0.584676 1.408521 22 O -0.532374 1.336077 23 O -0.511541 1.178824 24 O -0.494177 0.996031 25 O -0.470196 1.352491 26 O -0.446711 1.573917 27 O -0.443553 1.143026 28 O -0.441043 1.573763 29 O -0.405580 1.357447 30 O -0.397903 1.212973 31 O -0.389635 1.719111 32 O -0.384147 1.292314 33 O -0.373292 1.575188 34 O -0.355257 2.366501 35 O -0.348819 1.413677 36 O -0.328580 1.796956 37 O -0.319425 1.470149 38 O -0.317080 1.391307 39 O -0.286259 1.368459 40 O -0.198006 1.279521 41 O -0.185597 1.798740 42 V -0.006986 1.479529 43 V 0.010188 1.673712 44 V 0.083786 0.940081 45 V 0.112325 0.984513 46 V 0.119133 1.770362 47 V 0.122466 1.842665 48 V 0.123157 0.999987 49 V 0.135170 1.073433 50 V 0.144243 1.535422 51 V 0.145258 1.041202 52 V 0.163942 1.653372 53 V 0.171442 1.388382 54 V 0.177647 1.367806 55 V 0.192700 1.270981 56 V 0.197772 2.353383 57 V 0.203001 1.219663 58 V 0.228887 1.314362 59 V 0.236117 1.143582 60 V 0.242721 1.412677 61 V 0.249114 1.439825 62 V 0.304389 1.683472 63 V 0.313625 1.479593 64 V 0.326617 1.752307 65 V 0.370134 2.525636 66 V 0.432158 1.929585 67 V 0.473980 1.814294 68 V 0.477971 1.842659 69 V 0.491401 1.616043 70 V 0.508307 2.036387 71 V 0.523167 2.095521 72 V 0.546532 2.522554 73 V 0.547871 1.755757 74 V 0.548668 2.108100 75 V 0.568906 2.371581 76 V 0.579344 2.171920 77 V 0.607434 2.323822 78 V 0.613354 1.950982 79 V 0.618226 1.942446 80 V 0.636305 2.358906 81 V 0.663089 2.521668 82 V 0.678634 2.532043 83 V 0.712831 2.399499 84 V 0.722927 2.418488 85 V 0.740942 2.512550 86 V 0.751900 2.579569 87 V 0.775363 2.174642 88 V 0.795747 2.393705 89 V 0.798773 2.614824 90 V 0.810710 2.532995 91 V 0.828473 2.500811 92 V 0.842110 2.285808 93 V 0.854432 2.766060 94 V 0.864505 2.706411 95 V 0.880606 2.597065 96 V 0.884448 2.489273 97 V 0.885198 2.710965 98 V 0.887089 2.868293 99 V 0.898056 2.577240 100 V 0.913855 2.700556 101 V 0.937166 2.656037 102 V 0.940303 2.589412 103 V 0.951236 2.714937 104 V 1.007936 2.256276 105 V 1.014390 2.336364 106 V 1.022948 2.836206 107 V 1.027250 2.464871 108 V 1.092088 3.076119 109 V 1.099205 2.654195 110 V 1.114140 2.823571 111 V 1.149206 2.616011 112 V 1.151874 2.999895 113 V 1.189464 2.470872 114 V 1.204053 2.548156 115 V 1.251268 2.394757 116 V 1.264388 2.522643 117 V 1.367263 2.620160 118 V 1.370460 2.851772 119 V 1.398334 2.557559 120 V 1.427039 2.655119 121 V 1.432163 2.569740 122 V 1.438600 2.643857 123 V 1.475739 2.604534 124 V 1.492042 2.727375 125 V 1.526425 2.731801 126 V 1.585296 2.729112 127 V 1.639988 2.848133 128 V 1.661093 2.867848 129 V 1.720443 2.847303 130 V 1.723417 2.956487 131 V 1.758449 2.890035 132 V 1.770891 3.084049 133 V 1.794190 3.089684 134 V 1.860007 3.080341 135 V 1.877783 3.223055 136 V 1.885342 3.369064 137 V 1.908422 3.243952 138 V 1.935620 3.247705 139 V 1.958247 3.419429 140 V 1.976522 3.549611 141 V 1.978381 3.699273 142 V 1.981014 3.551794 143 V 2.000535 3.502416 144 V 2.019366 3.666483 145 V 2.041608 3.521295 146 V 2.088899 3.490912 147 V 2.120237 3.689761 148 V 2.140827 3.517955 149 V 2.160190 3.640541 150 V 2.230129 3.505999 151 V 2.254877 3.549651 152 V 2.262027 3.557635 153 V 2.279914 3.600190 154 V 2.291931 3.680228 155 V 2.309614 3.817488 156 V 2.318550 3.601920 157 V 2.371170 3.779160 158 V 2.401507 3.844964 159 V 2.434357 3.875080 160 V 2.448088 3.771402 161 V 2.451442 3.854186 162 V 2.484078 3.927507 163 V 2.522246 3.909229 164 V 2.545380 4.007366 165 V 2.598900 4.362537 166 V 2.627404 4.427865 167 V 2.645181 4.262201 168 V 2.675686 4.223223 169 V 2.692959 4.304453 170 V 2.694419 4.369060 171 V 2.736158 4.291616 172 V 2.765917 4.303029 173 V 2.803898 4.577675 174 V 2.866864 4.485887 175 V 2.879953 4.651924 176 V 2.944564 4.768116 177 V 3.105761 4.916552 178 V 3.131189 4.838727 179 V 4.006223 10.862466 180 V 4.105776 10.794558 181 V 4.127666 10.147715 182 V 4.252022 10.394604 183 V 4.268090 10.250241 184 V 4.362068 10.479362 185 V 4.370178 10.258845 186 V 4.448583 10.340598 187 V 4.489349 10.367748 188 V 4.649655 10.705344 189 V 4.874520 11.552620 Total kinetic energy from orbitals= 4.958567359705D+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 0.000003560 0.000000635 -0.000001231 2 6 -0.000004348 0.000000074 0.000000661 3 6 0.000000651 0.000000162 0.000004124 4 6 -0.000000618 0.000000986 -0.000001631 5 6 0.000003308 -0.000004190 -0.000001984 6 6 -0.000003827 0.000001549 0.000005162 7 1 -0.000000466 0.000000287 -0.000000388 8 1 0.000001426 -0.000000381 -0.000001331 9 1 0.000000775 -0.000000980 -0.000002295 10 1 -0.000000128 0.000000829 0.000002641 11 1 -0.000001513 -0.000000335 -0.000001499 12 1 -0.000000893 0.000000020 -0.000000561 13 6 0.000009081 -0.000003152 0.000000078 14 8 -0.000002257 -0.000002533 -0.000002220 15 6 -0.000003258 0.000001217 0.000000766 16 6 -0.000002242 0.000001792 -0.000002787 17 1 0.000000133 0.000000630 -0.000000261 18 1 -0.000000321 0.000000572 -0.000001493 19 8 -0.000000785 0.000004013 0.000001879 20 1 0.000001588 0.000000605 -0.000000031 21 1 -0.000001474 -0.000000322 0.000001378 22 1 0.000000336 -0.000000375 -0.000000319 23 1 0.000001269 -0.000001104 0.000001344 ------------------------------------------------------------------- Cartesian Forces: Max 0.000009081 RMS 0.000002184 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000005047 RMS 0.000000904 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 0.35567 0.36577 0.38193 0.38370 Eigenvalues --- 0.41332 0.41741 0.43946 Eigenvectors required to have negative eigenvalues: R6 R15 D82 D80 D74 1 -0.56541 -0.56534 -0.16959 0.16958 0.14496 D98 D81 D77 R20 D1 1 -0.14494 -0.11839 0.11837 0.11436 -0.11055 RFO step: Lambda0=7.592553322D-11 Lambda= 0.00000000D+00. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00009193 RMS(Int)= 0.00000001 Iteration 2 RMS(Cart)= 0.00000001 RMS(Int)= 0.00000001 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.62030 0.00000 0.00000 0.00000 0.00000 2.62029 R2 2.66027 0.00000 0.00000 0.00000 0.00000 2.66027 R3 2.05659 0.00000 0.00000 0.00000 0.00000 2.05659 R4 2.86317 0.00000 0.00000 0.00000 0.00000 2.86316 R5 2.05804 0.00000 0.00000 0.00000 0.00000 2.05804 R6 4.37568 0.00000 0.00000 0.00021 0.00021 4.37589 R7 2.94453 0.00000 0.00000 0.00001 0.00001 2.94454 R8 2.07029 0.00000 0.00000 0.00000 0.00000 2.07028 R9 2.07660 0.00000 0.00000 0.00000 0.00000 2.07660 R10 2.86316 0.00000 0.00000 0.00000 0.00000 2.86316 R11 2.07028 0.00000 0.00000 0.00000 0.00000 2.07029 R12 2.07659 0.00000 0.00000 0.00000 0.00000 2.07660 R13 2.62031 -0.00001 0.00000 -0.00001 -0.00001 2.62029 R14 2.05805 0.00000 0.00000 0.00000 0.00000 2.05804 R15 4.37608 0.00000 0.00000 -0.00018 -0.00018 4.37590 R16 2.05659 0.00000 0.00000 0.00000 0.00000 2.05659 R17 4.44126 0.00000 0.00000 -0.00010 -0.00010 4.44116 R18 4.44079 0.00000 0.00000 0.00037 0.00037 4.44116 R19 2.63220 0.00000 0.00000 0.00001 0.00001 2.63220 R20 2.62525 0.00000 0.00000 0.00000 0.00000 2.62525 R21 2.03575 0.00000 0.00000 0.00000 0.00000 2.03574 R22 2.69178 0.00000 0.00000 0.00002 0.00002 2.69179 R23 2.07491 0.00000 0.00000 0.00000 0.00000 2.07491 R24 2.07618 0.00000 0.00000 0.00000 0.00000 2.07618 R25 2.69180 0.00000 0.00000 0.00000 0.00000 2.69179 R26 2.63219 0.00000 0.00000 0.00001 0.00001 2.63220 R27 2.03575 0.00000 0.00000 0.00000 0.00000 2.03574 A1 2.06740 0.00000 0.00000 0.00001 0.00001 2.06741 A2 2.09939 0.00000 0.00000 -0.00001 -0.00001 2.09938 A3 2.09054 0.00000 0.00000 -0.00001 -0.00001 2.09053 A4 2.09873 0.00000 0.00000 0.00004 0.00004 2.09878 A5 2.08083 0.00000 0.00000 -0.00002 -0.00002 2.08081 A6 1.72739 0.00000 0.00000 -0.00005 -0.00005 1.72734 A7 2.01642 0.00000 0.00000 0.00002 0.00002 2.01644 A8 1.63585 0.00000 0.00000 -0.00007 -0.00007 1.63579 A9 1.73921 0.00000 0.00000 0.00003 0.00003 1.73924 A10 1.96753 0.00000 0.00000 -0.00001 -0.00001 1.96752 A11 1.91103 0.00000 0.00000 -0.00004 -0.00004 1.91100 A12 1.87943 0.00000 0.00000 0.00004 0.00004 1.87947 A13 1.94891 0.00000 0.00000 0.00002 0.00002 1.94893 A14 1.90728 0.00000 0.00000 0.00001 0.00001 1.90728 A15 1.84428 0.00000 0.00000 -0.00001 -0.00001 1.84427 A16 1.96751 0.00000 0.00000 0.00001 0.00001 1.96752 A17 1.94893 0.00000 0.00000 0.00000 0.00000 1.94893 A18 1.90729 0.00000 0.00000 -0.00001 -0.00001 1.90728 A19 1.91096 0.00000 0.00000 0.00004 0.00004 1.91100 A20 1.87951 0.00000 0.00000 -0.00004 -0.00004 1.87947 A21 1.84427 0.00000 0.00000 0.00000 0.00000 1.84427 A22 2.09881 0.00000 0.00000 -0.00003 -0.00003 2.09878 A23 2.01643 0.00000 0.00000 0.00001 0.00001 2.01644 A24 1.63566 0.00000 0.00000 0.00012 0.00012 1.63578 A25 2.08081 0.00000 0.00000 0.00000 0.00000 2.08081 A26 1.72733 0.00000 0.00000 0.00000 0.00000 1.72733 A27 1.73932 0.00000 0.00000 -0.00008 -0.00008 1.73924 A28 2.06742 0.00000 0.00000 -0.00001 -0.00001 2.06741 A29 2.09054 0.00000 0.00000 -0.00001 -0.00001 2.09053 A30 2.09938 0.00000 0.00000 0.00000 0.00000 2.09938 A31 2.15558 0.00000 0.00000 0.00010 0.00010 2.15568 A32 2.15582 0.00000 0.00000 -0.00014 -0.00014 2.15568 A33 1.86551 0.00000 0.00000 0.00006 0.00006 1.86557 A34 1.86432 0.00000 0.00000 -0.00002 -0.00002 1.86430 A35 1.54419 0.00000 0.00000 -0.00005 -0.00005 1.54414 A36 1.90229 0.00000 0.00000 -0.00001 -0.00001 1.90228 A37 1.99452 0.00000 0.00000 0.00000 0.00000 1.99452 A38 2.21851 0.00000 0.00000 0.00002 0.00002 2.21853 A39 1.86544 0.00000 0.00000 0.00000 0.00000 1.86544 A40 1.91615 0.00000 0.00000 0.00000 0.00000 1.91615 A41 1.91789 0.00000 0.00000 0.00000 0.00000 1.91789 A42 1.87432 0.00000 0.00000 0.00000 0.00000 1.87432 A43 1.92092 0.00000 0.00000 0.00000 0.00000 1.92092 A44 1.91615 0.00000 0.00000 0.00000 0.00000 1.91615 A45 1.91789 0.00000 0.00000 0.00000 0.00000 1.91789 A46 1.86428 0.00000 0.00000 0.00002 0.00002 1.86429 A47 1.86556 0.00000 0.00000 0.00001 0.00001 1.86557 A48 1.54415 0.00000 0.00000 -0.00002 -0.00002 1.54413 A49 1.90227 0.00000 0.00000 0.00001 0.00001 1.90228 A50 2.21855 0.00000 0.00000 -0.00001 -0.00001 2.21853 A51 1.99453 0.00000 0.00000 -0.00001 -0.00001 1.99452 A52 1.05556 0.00000 0.00000 -0.00003 -0.00003 1.05553 A53 1.82401 0.00000 0.00000 -0.00003 -0.00003 1.82398 A54 1.82386 0.00000 0.00000 0.00013 0.00013 1.82398 A55 1.86545 0.00000 0.00000 -0.00001 -0.00001 1.86544 D1 -0.60098 0.00000 0.00000 0.00005 0.00005 -0.60093 D2 2.99635 0.00000 0.00000 -0.00005 -0.00005 2.99630 D3 1.13888 0.00000 0.00000 -0.00005 -0.00005 1.13883 D4 2.78341 0.00000 0.00000 0.00009 0.00009 2.78350 D5 0.09755 0.00000 0.00000 -0.00001 -0.00001 0.09754 D6 -1.75991 0.00000 0.00000 -0.00001 -0.00001 -1.75993 D7 -0.00002 0.00000 0.00000 0.00002 0.00002 0.00000 D8 -2.90010 0.00000 0.00000 0.00007 0.00007 -2.90002 D9 2.90004 0.00000 0.00000 -0.00002 -0.00002 2.90002 D10 -0.00003 0.00000 0.00000 0.00003 0.00003 0.00000 D11 0.56942 0.00000 0.00000 -0.00021 -0.00021 0.56921 D12 2.75027 0.00000 0.00000 -0.00023 -0.00023 2.75004 D13 -1.53574 0.00000 0.00000 -0.00023 -0.00023 -1.53597 D14 -3.01188 0.00000 0.00000 -0.00012 -0.00012 -3.01200 D15 -0.83104 0.00000 0.00000 -0.00014 -0.00014 -0.83118 D16 1.16615 0.00000 0.00000 -0.00014 -0.00014 1.16600 D17 -1.22207 0.00000 0.00000 -0.00012 -0.00012 -1.22219 D18 0.95877 0.00000 0.00000 -0.00013 -0.00013 0.95864 D19 2.95596 0.00000 0.00000 -0.00014 -0.00014 2.95582 D20 -3.02082 0.00000 0.00000 0.00001 0.00001 -3.02080 D21 -0.98654 0.00000 0.00000 0.00002 0.00002 -0.98652 D22 1.25619 0.00000 0.00000 0.00002 0.00002 1.25621 D23 -0.90158 0.00000 0.00000 0.00003 0.00003 -0.90154 D24 1.13270 0.00000 0.00000 0.00004 0.00004 1.13274 D25 -2.90775 0.00000 0.00000 0.00004 0.00004 -2.90771 D26 1.13510 0.00000 0.00000 0.00004 0.00004 1.13514 D27 -3.11381 0.00000 0.00000 0.00005 0.00005 -3.11376 D28 -0.87107 0.00000 0.00000 0.00005 0.00005 -0.87103 D29 -0.00027 0.00000 0.00000 0.00027 0.00027 0.00000 D30 2.15967 0.00000 0.00000 0.00032 0.00032 2.15999 D31 -2.08950 0.00000 0.00000 0.00032 0.00032 -2.08919 D32 -2.16031 0.00000 0.00000 0.00031 0.00031 -2.16000 D33 -0.00037 0.00000 0.00000 0.00036 0.00036 0.00000 D34 2.03365 0.00000 0.00000 0.00036 0.00036 2.03401 D35 2.08887 0.00000 0.00000 0.00031 0.00031 2.08918 D36 -2.03438 0.00000 0.00000 0.00036 0.00036 -2.03402 D37 -0.00036 0.00000 0.00000 0.00036 0.00036 0.00000 D38 -1.77111 0.00000 0.00000 -0.00013 -0.00013 -1.77124 D39 0.42048 0.00000 0.00000 -0.00016 -0.00016 0.42032 D40 2.49239 0.00000 0.00000 -0.00015 -0.00015 2.49224 D41 -0.56900 0.00000 0.00000 -0.00021 -0.00021 -0.56920 D42 3.01217 0.00000 0.00000 -0.00017 -0.00017 3.01200 D43 1.22232 0.00000 0.00000 -0.00014 -0.00014 1.22219 D44 -2.74979 0.00000 0.00000 -0.00024 -0.00024 -2.75003 D45 0.83137 0.00000 0.00000 -0.00020 -0.00020 0.83118 D46 -0.95848 0.00000 0.00000 -0.00016 -0.00016 -0.95864 D47 1.53622 0.00000 0.00000 -0.00024 -0.00024 1.53598 D48 -1.16580 0.00000 0.00000 -0.00020 -0.00020 -1.16600 D49 -2.95565 0.00000 0.00000 -0.00016 -0.00016 -2.95581 D50 -0.42001 0.00000 0.00000 -0.00030 -0.00030 -0.42031 D51 1.77151 0.00000 0.00000 -0.00027 -0.00027 1.77124 D52 -2.49193 0.00000 0.00000 -0.00030 -0.00030 -2.49223 D53 0.60087 0.00000 0.00000 0.00005 0.00005 0.60092 D54 -2.78350 0.00000 0.00000 0.00000 0.00000 -2.78350 D55 -2.99630 0.00000 0.00000 0.00001 0.00001 -2.99629 D56 -0.09749 0.00000 0.00000 -0.00005 -0.00005 -0.09753 D57 -1.13874 0.00000 0.00000 -0.00009 -0.00009 -1.13883 D58 1.76007 0.00000 0.00000 -0.00014 -0.00014 1.75993 D59 -1.13280 0.00000 0.00000 0.00005 0.00005 -1.13274 D60 0.90146 0.00000 0.00000 0.00008 0.00008 0.90154 D61 2.90764 0.00000 0.00000 0.00007 0.00007 2.90771 D62 0.98647 0.00000 0.00000 0.00005 0.00005 0.98652 D63 3.02073 0.00000 0.00000 0.00007 0.00007 3.02080 D64 -1.25628 0.00000 0.00000 0.00006 0.00006 -1.25622 D65 3.11373 0.00000 0.00000 0.00003 0.00003 3.11376 D66 -1.13520 0.00000 0.00000 0.00006 0.00006 -1.13514 D67 0.87098 0.00000 0.00000 0.00005 0.00005 0.87102 D68 -0.45446 0.00000 0.00000 0.00003 0.00003 -0.45443 D69 1.26758 0.00000 0.00000 0.00019 0.00019 1.26777 D70 0.45426 0.00000 0.00000 0.00017 0.00017 0.45443 D71 -1.26805 0.00000 0.00000 0.00028 0.00028 -1.26777 D72 1.91004 0.00000 0.00000 -0.00003 -0.00003 1.91001 D73 -0.09889 0.00000 0.00000 -0.00004 -0.00004 -0.09893 D74 -2.69573 0.00000 0.00000 -0.00007 -0.00007 -2.69579 D75 0.00002 0.00000 0.00000 -0.00002 -0.00002 0.00000 D76 -2.00971 0.00000 0.00000 -0.00005 -0.00005 -2.00976 D77 1.76581 0.00000 0.00000 -0.00003 -0.00003 1.76578 D78 2.00972 0.00000 0.00000 0.00003 0.00003 2.00976 D79 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 D80 -2.50767 0.00000 0.00000 0.00002 0.00002 -2.50765 D81 -1.76584 0.00000 0.00000 0.00006 0.00006 -1.76579 D82 2.50761 0.00000 0.00000 0.00003 0.00003 2.50764 D83 -0.00005 0.00000 0.00000 0.00005 0.00005 0.00000 D84 2.24086 0.00000 0.00000 0.00006 0.00006 2.24092 D85 -1.92726 0.00000 0.00000 0.00006 0.00006 -1.92720 D86 0.15834 0.00000 0.00000 0.00005 0.00005 0.15839 D87 0.48232 0.00000 0.00000 0.00000 0.00000 0.48232 D88 1.57647 0.00000 0.00000 -0.00001 -0.00001 1.57646 D89 2.59452 0.00000 0.00000 0.00000 0.00000 2.59452 D90 -2.59451 0.00000 0.00000 -0.00001 -0.00001 -2.59452 D91 -1.57646 0.00000 0.00000 0.00000 0.00000 -1.57646 D92 -0.48231 0.00000 0.00000 -0.00001 -0.00001 -0.48232 D93 -0.15834 0.00000 0.00000 -0.00005 -0.00005 -0.15839 D94 -2.24087 0.00000 0.00000 -0.00005 -0.00005 -2.24092 D95 1.92725 0.00000 0.00000 -0.00005 -0.00005 1.92720 D96 -1.91000 0.00000 0.00000 -0.00001 -0.00001 -1.91001 D97 0.09890 0.00000 0.00000 0.00002 0.00002 0.09892 D98 2.69579 0.00000 0.00000 0.00001 0.00001 2.69580 Item Value Threshold Converged? Maximum Force 0.000005 0.000450 YES RMS Force 0.000001 0.000300 YES Maximum Displacement 0.000496 0.001800 YES RMS Displacement 0.000092 0.001200 YES Predicted change in Energy=-2.485122D-09 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.3866 -DE/DX = 0.0 ! ! R2 R(1,6) 1.4078 -DE/DX = 0.0 ! ! R3 R(1,7) 1.0883 -DE/DX = 0.0 ! ! R4 R(2,3) 1.5151 -DE/DX = 0.0 ! ! R5 R(2,8) 1.0891 -DE/DX = 0.0 ! ! R6 R(2,13) 2.3155 -DE/DX = 0.0 ! ! R7 R(3,4) 1.5582 -DE/DX = 0.0 ! ! R8 R(3,9) 1.0955 -DE/DX = 0.0 ! ! R9 R(3,21) 1.0989 -DE/DX = 0.0 ! ! R10 R(4,5) 1.5151 -DE/DX = 0.0 ! ! R11 R(4,10) 1.0955 -DE/DX = 0.0 ! ! R12 R(4,20) 1.0989 -DE/DX = 0.0 ! ! R13 R(5,6) 1.3866 -DE/DX = 0.0 ! ! R14 R(5,11) 1.0891 -DE/DX = 0.0 ! ! R15 R(5,16) 2.3157 -DE/DX = 0.0 ! ! R16 R(6,12) 1.0883 -DE/DX = 0.0 ! ! R17 R(9,18) 2.3502 -DE/DX = 0.0 ! ! R18 R(10,18) 2.35 -DE/DX = 0.0 ! ! R19 R(13,14) 1.3929 -DE/DX = 0.0 ! ! R20 R(13,16) 1.3892 -DE/DX = 0.0 ! ! R21 R(13,22) 1.0773 -DE/DX = 0.0 ! ! R22 R(14,15) 1.4244 -DE/DX = 0.0 ! ! R23 R(15,17) 1.098 -DE/DX = 0.0 ! ! R24 R(15,18) 1.0987 -DE/DX = 0.0 ! ! R25 R(15,19) 1.4244 -DE/DX = 0.0 ! ! R26 R(16,19) 1.3929 -DE/DX = 0.0 ! ! R27 R(16,23) 1.0773 -DE/DX = 0.0 ! ! A1 A(2,1,6) 118.4535 -DE/DX = 0.0 ! ! A2 A(2,1,7) 120.2863 -DE/DX = 0.0 ! ! A3 A(6,1,7) 119.7791 -DE/DX = 0.0 ! ! A4 A(1,2,3) 120.2486 -DE/DX = 0.0 ! ! A5 A(1,2,8) 119.2228 -DE/DX = 0.0 ! ! A6 A(1,2,13) 98.9721 -DE/DX = 0.0 ! ! A7 A(3,2,8) 115.5325 -DE/DX = 0.0 ! ! A8 A(3,2,13) 93.7275 -DE/DX = 0.0 ! ! A9 A(8,2,13) 99.6491 -DE/DX = 0.0 ! ! A10 A(2,3,4) 112.7312 -DE/DX = 0.0 ! ! A11 A(2,3,9) 109.4941 -DE/DX = 0.0 ! ! A12 A(2,3,21) 107.6833 -DE/DX = 0.0 ! ! A13 A(4,3,9) 111.6644 -DE/DX = 0.0 ! ! A14 A(4,3,21) 109.2788 -DE/DX = 0.0 ! ! A15 A(9,3,21) 105.6695 -DE/DX = 0.0 ! ! A16 A(3,4,5) 112.7299 -DE/DX = 0.0 ! ! A17 A(3,4,10) 111.6655 -DE/DX = 0.0 ! ! A18 A(3,4,20) 109.2795 -DE/DX = 0.0 ! ! A19 A(5,4,10) 109.49 -DE/DX = 0.0 ! ! A20 A(5,4,20) 107.6878 -DE/DX = 0.0 ! ! A21 A(10,4,20) 105.6688 -DE/DX = 0.0 ! ! A22 A(4,5,6) 120.2528 -DE/DX = 0.0 ! ! A23 A(4,5,11) 115.533 -DE/DX = 0.0 ! ! A24 A(4,5,16) 93.7165 -DE/DX = 0.0 ! ! A25 A(6,5,11) 119.2216 -DE/DX = 0.0 ! ! A26 A(6,5,16) 98.9688 -DE/DX = 0.0 ! ! A27 A(11,5,16) 99.6558 -DE/DX = 0.0 ! ! A28 A(1,6,5) 118.4544 -DE/DX = 0.0 ! ! A29 A(1,6,12) 119.7791 -DE/DX = 0.0 ! ! A30 A(5,6,12) 120.2856 -DE/DX = 0.0 ! ! A31 A(3,9,18) 123.5054 -DE/DX = 0.0 ! ! A32 A(4,10,18) 123.5194 -DE/DX = 0.0 ! ! A33 A(2,13,14) 106.886 -DE/DX = 0.0 ! ! A34 A(2,13,16) 106.8175 -DE/DX = 0.0 ! ! A35 A(2,13,22) 88.4756 -DE/DX = 0.0 ! ! A36 A(14,13,16) 108.993 -DE/DX = 0.0 ! ! A37 A(14,13,22) 114.2775 -DE/DX = 0.0 ! ! A38 A(16,13,22) 127.1113 -DE/DX = 0.0 ! ! A39 A(13,14,15) 106.8821 -DE/DX = 0.0 ! ! A40 A(14,15,17) 109.7874 -DE/DX = 0.0 ! ! A41 A(14,15,18) 109.8869 -DE/DX = 0.0 ! ! A42 A(14,15,19) 107.3905 -DE/DX = 0.0 ! ! A43 A(17,15,18) 110.0604 -DE/DX = 0.0 ! ! A44 A(17,15,19) 109.7872 -DE/DX = 0.0 ! ! A45 A(18,15,19) 109.887 -DE/DX = 0.0 ! ! A46 A(5,16,13) 106.8151 -DE/DX = 0.0 ! ! A47 A(5,16,19) 106.8889 -DE/DX = 0.0 ! ! A48 A(5,16,23) 88.4732 -DE/DX = 0.0 ! ! A49 A(13,16,19) 108.9919 -DE/DX = 0.0 ! ! A50 A(13,16,23) 127.1134 -DE/DX = 0.0 ! ! A51 A(19,16,23) 114.2779 -DE/DX = 0.0 ! ! A52 A(9,18,10) 60.479 -DE/DX = 0.0 ! ! A53 A(9,18,15) 104.5083 -DE/DX = 0.0 ! ! A54 A(10,18,15) 104.4992 -DE/DX = 0.0 ! ! A55 A(15,19,16) 106.8825 -DE/DX = 0.0 ! ! D1 D(6,1,2,3) -34.4335 -DE/DX = 0.0 ! ! D2 D(6,1,2,8) 171.6781 -DE/DX = 0.0 ! ! D3 D(6,1,2,13) 65.2532 -DE/DX = 0.0 ! ! D4 D(7,1,2,3) 159.4776 -DE/DX = 0.0 ! ! D5 D(7,1,2,8) 5.5893 -DE/DX = 0.0 ! ! D6 D(7,1,2,13) -100.8356 -DE/DX = 0.0 ! ! D7 D(2,1,6,5) -0.0011 -DE/DX = 0.0 ! ! D8 D(2,1,6,12) -166.1633 -DE/DX = 0.0 ! ! D9 D(7,1,6,5) 166.1601 -DE/DX = 0.0 ! ! D10 D(7,1,6,12) -0.002 -DE/DX = 0.0 ! ! D11 D(1,2,3,4) 32.6255 -DE/DX = 0.0 ! ! D12 D(1,2,3,9) 157.5786 -DE/DX = 0.0 ! ! D13 D(1,2,3,21) -87.9912 -DE/DX = 0.0 ! ! D14 D(8,2,3,4) -172.5681 -DE/DX = 0.0 ! ! D15 D(8,2,3,9) -47.6149 -DE/DX = 0.0 ! ! D16 D(8,2,3,21) 66.8152 -DE/DX = 0.0 ! ! D17 D(13,2,3,4) -70.0195 -DE/DX = 0.0 ! ! D18 D(13,2,3,9) 54.9337 -DE/DX = 0.0 ! ! D19 D(13,2,3,21) 169.3639 -DE/DX = 0.0 ! ! D20 D(1,2,13,14) -173.08 -DE/DX = 0.0 ! ! D21 D(1,2,13,16) -56.5246 -DE/DX = 0.0 ! ! D22 D(1,2,13,22) 71.9745 -DE/DX = 0.0 ! ! D23 D(3,2,13,14) -51.6565 -DE/DX = 0.0 ! ! D24 D(3,2,13,16) 64.8989 -DE/DX = 0.0 ! ! D25 D(3,2,13,22) -166.602 -DE/DX = 0.0 ! ! D26 D(8,2,13,14) 65.0367 -DE/DX = 0.0 ! ! D27 D(8,2,13,16) -178.4079 -DE/DX = 0.0 ! ! D28 D(8,2,13,22) -49.9088 -DE/DX = 0.0 ! ! D29 D(2,3,4,5) -0.0155 -DE/DX = 0.0 ! ! D30 D(2,3,4,10) 123.74 -DE/DX = 0.0 ! ! D31 D(2,3,4,20) -119.7197 -DE/DX = 0.0 ! ! D32 D(9,3,4,5) -123.7766 -DE/DX = 0.0 ! ! D33 D(9,3,4,10) -0.0211 -DE/DX = 0.0 ! ! D34 D(9,3,4,20) 116.5193 -DE/DX = 0.0 ! ! D35 D(21,3,4,5) 119.6833 -DE/DX = 0.0 ! ! D36 D(21,3,4,10) -116.5612 -DE/DX = 0.0 ! ! D37 D(21,3,4,20) -0.0209 -DE/DX = 0.0 ! ! D38 D(2,3,9,18) -101.4769 -DE/DX = 0.0 ! ! D39 D(4,3,9,18) 24.0919 -DE/DX = 0.0 ! ! D40 D(21,3,9,18) 142.8035 -DE/DX = 0.0 ! ! D41 D(3,4,5,6) -32.6011 -DE/DX = 0.0 ! ! D42 D(3,4,5,11) 172.5846 -DE/DX = 0.0 ! ! D43 D(3,4,5,16) 70.0339 -DE/DX = 0.0 ! ! D44 D(10,4,5,6) -157.5516 -DE/DX = 0.0 ! ! D45 D(10,4,5,11) 47.6341 -DE/DX = 0.0 ! ! D46 D(10,4,5,16) -54.9166 -DE/DX = 0.0 ! ! D47 D(20,4,5,6) 88.0187 -DE/DX = 0.0 ! ! D48 D(20,4,5,11) -66.7956 -DE/DX = 0.0 ! ! D49 D(20,4,5,16) -169.3463 -DE/DX = 0.0 ! ! D50 D(3,4,10,18) -24.0648 -DE/DX = 0.0 ! ! D51 D(5,4,10,18) 101.5002 -DE/DX = 0.0 ! ! D52 D(20,4,10,18) -142.7773 -DE/DX = 0.0 ! ! D53 D(4,5,6,1) 34.4275 -DE/DX = 0.0 ! ! D54 D(4,5,6,12) -159.4826 -DE/DX = 0.0 ! ! D55 D(11,5,6,1) -171.6755 -DE/DX = 0.0 ! ! D56 D(11,5,6,12) -5.5857 -DE/DX = 0.0 ! ! D57 D(16,5,6,1) -65.2451 -DE/DX = 0.0 ! ! D58 D(16,5,6,12) 100.8447 -DE/DX = 0.0 ! ! D59 D(4,5,16,13) -64.9044 -DE/DX = 0.0 ! ! D60 D(4,5,16,19) 51.6501 -DE/DX = 0.0 ! ! D61 D(4,5,16,23) 166.5956 -DE/DX = 0.0 ! ! D62 D(6,5,16,13) 56.5205 -DE/DX = 0.0 ! ! D63 D(6,5,16,19) 173.0749 -DE/DX = 0.0 ! ! D64 D(6,5,16,23) -71.9796 -DE/DX = 0.0 ! ! D65 D(11,5,16,13) 178.4034 -DE/DX = 0.0 ! ! D66 D(11,5,16,19) -65.0421 -DE/DX = 0.0 ! ! D67 D(11,5,16,23) 49.9034 -DE/DX = 0.0 ! ! D68 D(3,9,18,10) -26.0385 -DE/DX = 0.0 ! ! D69 D(3,9,18,15) 72.627 -DE/DX = 0.0 ! ! D70 D(4,10,18,9) 26.027 -DE/DX = 0.0 ! ! D71 D(4,10,18,15) -72.6539 -DE/DX = 0.0 ! ! D72 D(2,13,14,15) 109.4373 -DE/DX = 0.0 ! ! D73 D(16,13,14,15) -5.6659 -DE/DX = 0.0 ! ! D74 D(22,13,14,15) -154.4538 -DE/DX = 0.0 ! ! D75 D(2,13,16,5) 0.0012 -DE/DX = 0.0 ! ! D76 D(2,13,16,19) -115.1479 -DE/DX = 0.0 ! ! D77 D(2,13,16,23) 101.1737 -DE/DX = 0.0 ! ! D78 D(14,13,16,5) 115.1487 -DE/DX = 0.0 ! ! D79 D(14,13,16,19) -0.0004 -DE/DX = 0.0 ! ! D80 D(14,13,16,23) -143.6788 -DE/DX = 0.0 ! ! D81 D(22,13,16,5) -101.1754 -DE/DX = 0.0 ! ! D82 D(22,13,16,19) 143.6754 -DE/DX = 0.0 ! ! D83 D(22,13,16,23) -0.0029 -DE/DX = 0.0 ! ! D84 D(13,14,15,17) 128.3918 -DE/DX = 0.0 ! ! D85 D(13,14,15,18) -110.4238 -DE/DX = 0.0 ! ! D86 D(13,14,15,19) 9.0721 -DE/DX = 0.0 ! ! D87 D(14,15,18,9) 27.6346 -DE/DX = 0.0 ! ! D88 D(14,15,18,10) 90.3251 -DE/DX = 0.0 ! ! D89 D(17,15,18,9) 148.655 -DE/DX = 0.0 ! ! D90 D(17,15,18,10) -148.6546 -DE/DX = 0.0 ! ! D91 D(19,15,18,9) -90.3248 -DE/DX = 0.0 ! ! D92 D(19,15,18,10) -27.6343 -DE/DX = 0.0 ! ! D93 D(14,15,19,16) -9.0724 -DE/DX = 0.0 ! ! D94 D(17,15,19,16) -128.3923 -DE/DX = 0.0 ! ! D95 D(18,15,19,16) 110.4234 -DE/DX = 0.0 ! ! D96 D(5,16,19,15) -109.4349 -DE/DX = 0.0 ! ! D97 D(13,16,19,15) 5.6666 -DE/DX = 0.0 ! ! D98 D(23,16,19,15) 154.4574 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.109575 -0.704030 -0.726604 2 6 0 1.193908 -1.364520 0.078362 3 6 0 0.792327 -0.778915 1.416792 4 6 0 0.792256 0.779263 1.416597 5 6 0 1.194149 1.364537 0.078119 6 6 0 2.109705 0.703725 -0.726718 7 1 0 2.649187 -1.244655 -1.501806 8 1 0 1.088418 -2.444690 -0.012065 9 1 0 -0.181006 -1.183365 1.715572 10 1 0 -0.181214 1.183717 1.714915 11 1 0 1.088860 2.444708 -0.012544 12 1 0 2.649444 1.244124 -1.501989 13 6 0 -0.758510 -0.694696 -0.970916 14 8 0 -1.815882 -1.147923 -0.185603 15 6 0 -2.404052 0.000061 0.418700 16 6 0 -0.758503 0.694525 -0.971074 17 1 0 -3.487475 0.000041 0.240401 18 1 0 -2.199784 0.000182 1.498213 19 8 0 -1.815882 1.147917 -0.185868 20 1 0 1.507304 1.142216 2.167943 21 1 0 1.507686 -1.141603 2.167973 22 1 0 -0.506248 -1.344778 -1.792055 23 1 0 -0.506199 1.344450 -1.792326 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.386601 0.000000 3 C 2.516922 1.515122 0.000000 4 C 2.920411 2.558907 1.558178 0.000000 5 C 2.400948 2.729057 2.558885 1.515119 0.000000 6 C 1.407755 2.400932 2.920332 2.516978 1.386607 7 H 1.088299 2.151543 3.490424 4.007682 3.379524 8 H 2.140847 1.089070 2.214522 3.538737 3.811761 9 H 3.382417 2.145615 1.095548 2.211003 3.326275 10 H 3.843477 3.326075 2.211014 1.095546 2.145558 11 H 3.386191 3.811760 3.538740 2.214526 1.089071 12 H 2.165175 3.379514 4.007599 3.490471 2.151540 13 C 2.878487 2.315510 2.848392 3.205877 3.025523 14 O 3.987347 3.029097 3.083276 3.617109 3.929668 15 C 4.709596 3.863059 3.437998 3.437927 3.863268 16 C 3.200249 3.025375 3.205932 2.848334 2.315723 17 H 5.723442 4.878896 4.506370 4.506298 4.879118 18 H 4.900643 3.923714 3.092952 3.092884 3.923890 19 O 4.373936 3.929503 3.617175 3.083210 3.029340 20 H 3.485650 3.278459 2.183155 1.098885 2.124819 21 H 2.988698 2.124764 1.098888 2.183147 3.278190 22 H 2.896252 2.527722 3.507591 4.061171 3.705305 23 H 3.489170 3.705180 4.061193 3.507507 2.527875 6 7 8 9 10 6 C 0.000000 7 H 2.165176 0.000000 8 H 3.386189 2.468889 0.000000 9 H 3.843598 4.285472 2.487390 0.000000 10 H 3.382347 4.924983 4.214233 2.367082 0.000000 11 H 2.140839 4.273631 4.889398 4.214482 2.487429 12 H 1.088299 2.488779 4.273643 4.925124 4.285411 13 C 3.200292 3.492377 2.719010 2.790972 3.327971 14 O 4.373973 4.656027 3.185385 2.507697 3.423544 15 C 4.709684 5.547331 4.284824 2.832721 2.832353 16 C 2.878613 3.956570 3.766362 3.328369 2.790539 17 H 5.723540 6.499475 5.194155 3.809110 3.808759 18 H 4.900713 5.836288 4.366991 2.350211 2.349966 19 O 3.987488 5.233826 4.622985 3.423911 2.507269 20 H 2.989017 4.524169 4.218269 2.909185 1.748728 21 H 3.485240 3.844596 2.574177 1.748740 2.909426 22 H 3.489200 3.170337 2.630804 3.526370 4.335640 23 H 2.896378 4.091983 4.479923 4.336006 3.525931 11 12 13 14 15 11 H 0.000000 12 H 2.468860 0.000000 13 C 3.766578 3.956667 0.000000 14 O 4.623254 5.233918 1.392899 0.000000 15 C 4.285173 5.547482 2.263079 1.424427 0.000000 16 C 2.719314 3.492568 1.389221 2.264869 2.263092 17 H 5.194538 6.499649 3.065485 2.072082 1.097996 18 H 4.367296 5.836404 2.942231 2.073828 1.098669 19 O 3.185786 4.656240 2.264853 2.295840 1.424437 20 H 2.574122 3.844902 4.284926 4.671989 4.434307 21 H 4.218020 4.523707 3.897178 4.072526 4.434529 22 H 4.480093 4.092059 1.077271 2.081966 3.209001 23 H 2.631046 3.170559 2.212802 3.241720 3.209028 16 17 18 19 20 16 C 0.000000 17 H 3.065496 0.000000 18 H 2.942241 1.800066 0.000000 19 O 1.392897 2.072088 2.073838 0.000000 20 H 3.897145 5.474285 3.936405 4.072349 0.000000 21 H 4.284926 5.474534 3.936697 4.672106 2.283819 22 H 2.212781 3.850601 3.937365 3.241683 5.091278 23 H 1.077272 3.850639 3.937376 2.081971 4.447339 21 22 23 21 H 0.000000 22 H 4.447362 0.000000 23 H 5.091185 2.689228 0.000000 Stoichiometry C9H12O2 Framework group C1[X(C9H12O2)] Deg. of freedom 63 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -2.109575 0.704030 -0.726604 2 6 0 -1.193908 1.364520 0.078362 3 6 0 -0.792327 0.778915 1.416792 4 6 0 -0.792256 -0.779263 1.416597 5 6 0 -1.194149 -1.364537 0.078119 6 6 0 -2.109705 -0.703725 -0.726718 7 1 0 -2.649187 1.244655 -1.501806 8 1 0 -1.088418 2.444690 -0.012065 9 1 0 0.181006 1.183365 1.715572 10 1 0 0.181214 -1.183717 1.714915 11 1 0 -1.088860 -2.444708 -0.012544 12 1 0 -2.649444 -1.244124 -1.501989 13 6 0 0.758510 0.694696 -0.970916 14 8 0 1.815882 1.147923 -0.185603 15 6 0 2.404052 -0.000061 0.418700 16 6 0 0.758503 -0.694525 -0.971074 17 1 0 3.487475 -0.000041 0.240401 18 1 0 2.199784 -0.000182 1.498213 19 8 0 1.815882 -1.147917 -0.185868 20 1 0 -1.507304 -1.142216 2.167943 21 1 0 -1.507686 1.141603 2.167973 22 1 0 0.506248 1.344778 -1.792055 23 1 0 0.506199 -1.344450 -1.792326 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9100587 1.0127513 0.9486919 1|1| IMPERIAL COLLEGE-CHWS-274|FTS|RB3LYP|6-31G(d)|C9H12O2|KK3015|20-F eb-2018|0||# opt=(calcfc,ts,noeigen) freq b3lyp/6-31g(d) geom=connecti vity gfprint integral=grid=ultrafine pop=full||Title Card Required||0, 1|C,2.109575,-0.70403,-0.726604|C,1.193908,-1.36452,0.078362|C,0.79232 7,-0.778915,1.416792|C,0.792256,0.779263,1.416597|C,1.194149,1.364537, 0.078119|C,2.109705,0.703725,-0.726718|H,2.649187,-1.244655,-1.501806| H,1.088418,-2.44469,-0.012065|H,-0.181006,-1.183365,1.715572|H,-0.1812 14,1.183717,1.714915|H,1.08886,2.444708,-0.012544|H,2.649444,1.244124, -1.501989|C,-0.75851,-0.694696,-0.970916|O,-1.815882,-1.147923,-0.1856 03|C,-2.404052,0.000061,0.4187|C,-0.758503,0.694525,-0.971074|H,-3.487 475,0.000041,0.240401|H,-2.199784,0.000182,1.498213|O,-1.815882,1.1479 17,-0.185868|H,1.507304,1.142216,2.167943|H,1.507686,-1.141603,2.16797 3|H,-0.506248,-1.344778,-1.792055|H,-0.506199,1.34445,-1.792326||Versi on=EM64W-G09RevD.01|State=1-A|HF=-500.488669|RMSD=4.901e-009|RMSF=2.18 4e-006|Dipole=-0.1144865,-0.0000255,-0.0984871|Polar=0.,0.,0.,0.,0.,0. |Quadrupole=-1.1818402,-1.3270166,2.5088568,0.0000356,-1.9274649,0.000 482|PG=C01 [X(C9H12O2)]||@ Discoveries are often made by not following instructions, by going off the main road, by trying the untried. -- Frank Tyger Job cpu time: 0 days 0 hours 9 minutes 52.0 seconds. File lengths (MBytes): RWF= 102 Int= 0 D2E= 0 Chk= 4 Scr= 1 Normal termination of Gaussian 09 at Tue Feb 20 16:35:27 2018. 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\kk3015\Desktop\Yr3 Computational\Transition states\Exercise 2\Exo\Cyclohexadiene_dioxole_exo_Opt_Freq_TS_MO.chk" ------------------- Title Card Required ------------------- Charge = 0 Multiplicity = 1 Redundant internal coordinates found in file. C,0,2.109575,-0.70403,-0.726604 C,0,1.193908,-1.36452,0.078362 C,0,0.792327,-0.778915,1.416792 C,0,0.792256,0.779263,1.416597 C,0,1.194149,1.364537,0.078119 C,0,2.109705,0.703725,-0.726718 H,0,2.649187,-1.244655,-1.501806 H,0,1.088418,-2.44469,-0.012065 H,0,-0.181006,-1.183365,1.715572 H,0,-0.181214,1.183717,1.714915 H,0,1.08886,2.444708,-0.012544 H,0,2.649444,1.244124,-1.501989 C,0,-0.75851,-0.694696,-0.970916 O,0,-1.815882,-1.147923,-0.185603 C,0,-2.404052,0.000061,0.4187 C,0,-0.758503,0.694525,-0.971074 H,0,-3.487475,0.000041,0.240401 H,0,-2.199784,0.000182,1.498213 O,0,-1.815882,1.147917,-0.185868 H,0,1.507304,1.142216,2.167943 H,0,1.507686,-1.141603,2.167973 H,0,-0.506248,-1.344778,-1.792055 H,0,-0.506199,1.34445,-1.792326 Recover connectivity data from disk. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.3866 calculate D2E/DX2 analytically ! ! R2 R(1,6) 1.4078 calculate D2E/DX2 analytically ! ! R3 R(1,7) 1.0883 calculate D2E/DX2 analytically ! ! R4 R(2,3) 1.5151 calculate D2E/DX2 analytically ! ! R5 R(2,8) 1.0891 calculate D2E/DX2 analytically ! ! R6 R(2,13) 2.3155 calculate D2E/DX2 analytically ! ! R7 R(3,4) 1.5582 calculate D2E/DX2 analytically ! ! R8 R(3,9) 1.0955 calculate D2E/DX2 analytically ! ! R9 R(3,21) 1.0989 calculate D2E/DX2 analytically ! ! R10 R(4,5) 1.5151 calculate D2E/DX2 analytically ! ! R11 R(4,10) 1.0955 calculate D2E/DX2 analytically ! ! R12 R(4,20) 1.0989 calculate D2E/DX2 analytically ! ! R13 R(5,6) 1.3866 calculate D2E/DX2 analytically ! ! R14 R(5,11) 1.0891 calculate D2E/DX2 analytically ! ! R15 R(5,16) 2.3157 calculate D2E/DX2 analytically ! ! R16 R(6,12) 1.0883 calculate D2E/DX2 analytically ! ! R17 R(9,18) 2.3502 calculate D2E/DX2 analytically ! ! R18 R(10,18) 2.35 calculate D2E/DX2 analytically ! ! R19 R(13,14) 1.3929 calculate D2E/DX2 analytically ! ! R20 R(13,16) 1.3892 calculate D2E/DX2 analytically ! ! R21 R(13,22) 1.0773 calculate D2E/DX2 analytically ! ! R22 R(14,15) 1.4244 calculate D2E/DX2 analytically ! ! R23 R(15,17) 1.098 calculate D2E/DX2 analytically ! ! R24 R(15,18) 1.0987 calculate D2E/DX2 analytically ! ! R25 R(15,19) 1.4244 calculate D2E/DX2 analytically ! ! R26 R(16,19) 1.3929 calculate D2E/DX2 analytically ! ! R27 R(16,23) 1.0773 calculate D2E/DX2 analytically ! ! A1 A(2,1,6) 118.4535 calculate D2E/DX2 analytically ! ! A2 A(2,1,7) 120.2863 calculate D2E/DX2 analytically ! ! A3 A(6,1,7) 119.7791 calculate D2E/DX2 analytically ! ! A4 A(1,2,3) 120.2486 calculate D2E/DX2 analytically ! ! A5 A(1,2,8) 119.2228 calculate D2E/DX2 analytically ! ! A6 A(1,2,13) 98.9721 calculate D2E/DX2 analytically ! ! A7 A(3,2,8) 115.5325 calculate D2E/DX2 analytically ! ! A8 A(3,2,13) 93.7275 calculate D2E/DX2 analytically ! ! A9 A(8,2,13) 99.6491 calculate D2E/DX2 analytically ! ! A10 A(2,3,4) 112.7312 calculate D2E/DX2 analytically ! ! A11 A(2,3,9) 109.4941 calculate D2E/DX2 analytically ! ! A12 A(2,3,21) 107.6833 calculate D2E/DX2 analytically ! ! A13 A(4,3,9) 111.6644 calculate D2E/DX2 analytically ! ! A14 A(4,3,21) 109.2788 calculate D2E/DX2 analytically ! ! A15 A(9,3,21) 105.6695 calculate D2E/DX2 analytically ! ! A16 A(3,4,5) 112.7299 calculate D2E/DX2 analytically ! ! A17 A(3,4,10) 111.6655 calculate D2E/DX2 analytically ! ! A18 A(3,4,20) 109.2795 calculate D2E/DX2 analytically ! ! A19 A(5,4,10) 109.49 calculate D2E/DX2 analytically ! ! A20 A(5,4,20) 107.6878 calculate D2E/DX2 analytically ! ! A21 A(10,4,20) 105.6688 calculate D2E/DX2 analytically ! ! A22 A(4,5,6) 120.2528 calculate D2E/DX2 analytically ! ! A23 A(4,5,11) 115.533 calculate D2E/DX2 analytically ! ! A24 A(4,5,16) 93.7165 calculate D2E/DX2 analytically ! ! A25 A(6,5,11) 119.2216 calculate D2E/DX2 analytically ! ! A26 A(6,5,16) 98.9688 calculate D2E/DX2 analytically ! ! A27 A(11,5,16) 99.6558 calculate D2E/DX2 analytically ! ! A28 A(1,6,5) 118.4544 calculate D2E/DX2 analytically ! ! A29 A(1,6,12) 119.7791 calculate D2E/DX2 analytically ! ! A30 A(5,6,12) 120.2856 calculate D2E/DX2 analytically ! ! A31 A(3,9,18) 123.5054 calculate D2E/DX2 analytically ! ! A32 A(4,10,18) 123.5194 calculate D2E/DX2 analytically ! ! A33 A(2,13,14) 106.886 calculate D2E/DX2 analytically ! ! A34 A(2,13,16) 106.8175 calculate D2E/DX2 analytically ! ! A35 A(2,13,22) 88.4756 calculate D2E/DX2 analytically ! ! A36 A(14,13,16) 108.993 calculate D2E/DX2 analytically ! ! A37 A(14,13,22) 114.2775 calculate D2E/DX2 analytically ! ! A38 A(16,13,22) 127.1113 calculate D2E/DX2 analytically ! ! A39 A(13,14,15) 106.8821 calculate D2E/DX2 analytically ! ! A40 A(14,15,17) 109.7874 calculate D2E/DX2 analytically ! ! A41 A(14,15,18) 109.8869 calculate D2E/DX2 analytically ! ! A42 A(14,15,19) 107.3905 calculate D2E/DX2 analytically ! ! A43 A(17,15,18) 110.0604 calculate D2E/DX2 analytically ! ! A44 A(17,15,19) 109.7872 calculate D2E/DX2 analytically ! ! A45 A(18,15,19) 109.887 calculate D2E/DX2 analytically ! ! A46 A(5,16,13) 106.8151 calculate D2E/DX2 analytically ! ! A47 A(5,16,19) 106.8889 calculate D2E/DX2 analytically ! ! A48 A(5,16,23) 88.4732 calculate D2E/DX2 analytically ! ! A49 A(13,16,19) 108.9919 calculate D2E/DX2 analytically ! ! A50 A(13,16,23) 127.1134 calculate D2E/DX2 analytically ! ! A51 A(19,16,23) 114.2779 calculate D2E/DX2 analytically ! ! A52 A(9,18,10) 60.479 calculate D2E/DX2 analytically ! ! A53 A(9,18,15) 104.5083 calculate D2E/DX2 analytically ! ! A54 A(10,18,15) 104.4992 calculate D2E/DX2 analytically ! ! A55 A(15,19,16) 106.8825 calculate D2E/DX2 analytically ! ! D1 D(6,1,2,3) -34.4335 calculate D2E/DX2 analytically ! ! D2 D(6,1,2,8) 171.6781 calculate D2E/DX2 analytically ! ! D3 D(6,1,2,13) 65.2532 calculate D2E/DX2 analytically ! ! D4 D(7,1,2,3) 159.4776 calculate D2E/DX2 analytically ! ! D5 D(7,1,2,8) 5.5893 calculate D2E/DX2 analytically ! ! D6 D(7,1,2,13) -100.8356 calculate D2E/DX2 analytically ! ! D7 D(2,1,6,5) -0.0011 calculate D2E/DX2 analytically ! ! D8 D(2,1,6,12) -166.1633 calculate D2E/DX2 analytically ! ! D9 D(7,1,6,5) 166.1601 calculate D2E/DX2 analytically ! ! D10 D(7,1,6,12) -0.002 calculate D2E/DX2 analytically ! ! D11 D(1,2,3,4) 32.6255 calculate D2E/DX2 analytically ! ! D12 D(1,2,3,9) 157.5786 calculate D2E/DX2 analytically ! ! D13 D(1,2,3,21) -87.9912 calculate D2E/DX2 analytically ! ! D14 D(8,2,3,4) -172.5681 calculate D2E/DX2 analytically ! ! D15 D(8,2,3,9) -47.6149 calculate D2E/DX2 analytically ! ! D16 D(8,2,3,21) 66.8152 calculate D2E/DX2 analytically ! ! D17 D(13,2,3,4) -70.0195 calculate D2E/DX2 analytically ! ! D18 D(13,2,3,9) 54.9337 calculate D2E/DX2 analytically ! ! D19 D(13,2,3,21) 169.3639 calculate D2E/DX2 analytically ! ! D20 D(1,2,13,14) -173.08 calculate D2E/DX2 analytically ! ! D21 D(1,2,13,16) -56.5246 calculate D2E/DX2 analytically ! ! D22 D(1,2,13,22) 71.9745 calculate D2E/DX2 analytically ! ! D23 D(3,2,13,14) -51.6565 calculate D2E/DX2 analytically ! ! D24 D(3,2,13,16) 64.8989 calculate D2E/DX2 analytically ! ! D25 D(3,2,13,22) -166.602 calculate D2E/DX2 analytically ! ! D26 D(8,2,13,14) 65.0367 calculate D2E/DX2 analytically ! ! D27 D(8,2,13,16) -178.4079 calculate D2E/DX2 analytically ! ! D28 D(8,2,13,22) -49.9088 calculate D2E/DX2 analytically ! ! D29 D(2,3,4,5) -0.0155 calculate D2E/DX2 analytically ! ! D30 D(2,3,4,10) 123.74 calculate D2E/DX2 analytically ! ! D31 D(2,3,4,20) -119.7197 calculate D2E/DX2 analytically ! ! D32 D(9,3,4,5) -123.7766 calculate D2E/DX2 analytically ! ! D33 D(9,3,4,10) -0.0211 calculate D2E/DX2 analytically ! ! D34 D(9,3,4,20) 116.5193 calculate D2E/DX2 analytically ! ! D35 D(21,3,4,5) 119.6833 calculate D2E/DX2 analytically ! ! D36 D(21,3,4,10) -116.5612 calculate D2E/DX2 analytically ! ! D37 D(21,3,4,20) -0.0209 calculate D2E/DX2 analytically ! ! D38 D(2,3,9,18) -101.4769 calculate D2E/DX2 analytically ! ! D39 D(4,3,9,18) 24.0919 calculate D2E/DX2 analytically ! ! D40 D(21,3,9,18) 142.8035 calculate D2E/DX2 analytically ! ! D41 D(3,4,5,6) -32.6011 calculate D2E/DX2 analytically ! ! D42 D(3,4,5,11) 172.5846 calculate D2E/DX2 analytically ! ! D43 D(3,4,5,16) 70.0339 calculate D2E/DX2 analytically ! ! D44 D(10,4,5,6) -157.5516 calculate D2E/DX2 analytically ! ! D45 D(10,4,5,11) 47.6341 calculate D2E/DX2 analytically ! ! D46 D(10,4,5,16) -54.9166 calculate D2E/DX2 analytically ! ! D47 D(20,4,5,6) 88.0187 calculate D2E/DX2 analytically ! ! D48 D(20,4,5,11) -66.7956 calculate D2E/DX2 analytically ! ! D49 D(20,4,5,16) -169.3463 calculate D2E/DX2 analytically ! ! D50 D(3,4,10,18) -24.0648 calculate D2E/DX2 analytically ! ! D51 D(5,4,10,18) 101.5002 calculate D2E/DX2 analytically ! ! D52 D(20,4,10,18) -142.7773 calculate D2E/DX2 analytically ! ! D53 D(4,5,6,1) 34.4275 calculate D2E/DX2 analytically ! ! D54 D(4,5,6,12) -159.4826 calculate D2E/DX2 analytically ! ! D55 D(11,5,6,1) -171.6755 calculate D2E/DX2 analytically ! ! D56 D(11,5,6,12) -5.5857 calculate D2E/DX2 analytically ! ! D57 D(16,5,6,1) -65.2451 calculate D2E/DX2 analytically ! ! D58 D(16,5,6,12) 100.8447 calculate D2E/DX2 analytically ! ! D59 D(4,5,16,13) -64.9044 calculate D2E/DX2 analytically ! ! D60 D(4,5,16,19) 51.6501 calculate D2E/DX2 analytically ! ! D61 D(4,5,16,23) 166.5956 calculate D2E/DX2 analytically ! ! D62 D(6,5,16,13) 56.5205 calculate D2E/DX2 analytically ! ! D63 D(6,5,16,19) 173.0749 calculate D2E/DX2 analytically ! ! D64 D(6,5,16,23) -71.9796 calculate D2E/DX2 analytically ! ! D65 D(11,5,16,13) 178.4034 calculate D2E/DX2 analytically ! ! D66 D(11,5,16,19) -65.0421 calculate D2E/DX2 analytically ! ! D67 D(11,5,16,23) 49.9034 calculate D2E/DX2 analytically ! ! D68 D(3,9,18,10) -26.0385 calculate D2E/DX2 analytically ! ! D69 D(3,9,18,15) 72.627 calculate D2E/DX2 analytically ! ! D70 D(4,10,18,9) 26.027 calculate D2E/DX2 analytically ! ! D71 D(4,10,18,15) -72.6539 calculate D2E/DX2 analytically ! ! D72 D(2,13,14,15) 109.4373 calculate D2E/DX2 analytically ! ! D73 D(16,13,14,15) -5.6659 calculate D2E/DX2 analytically ! ! D74 D(22,13,14,15) -154.4538 calculate D2E/DX2 analytically ! ! D75 D(2,13,16,5) 0.0012 calculate D2E/DX2 analytically ! ! D76 D(2,13,16,19) -115.1479 calculate D2E/DX2 analytically ! ! D77 D(2,13,16,23) 101.1737 calculate D2E/DX2 analytically ! ! D78 D(14,13,16,5) 115.1487 calculate D2E/DX2 analytically ! ! D79 D(14,13,16,19) -0.0004 calculate D2E/DX2 analytically ! ! D80 D(14,13,16,23) -143.6788 calculate D2E/DX2 analytically ! ! D81 D(22,13,16,5) -101.1754 calculate D2E/DX2 analytically ! ! D82 D(22,13,16,19) 143.6754 calculate D2E/DX2 analytically ! ! D83 D(22,13,16,23) -0.0029 calculate D2E/DX2 analytically ! ! D84 D(13,14,15,17) 128.3918 calculate D2E/DX2 analytically ! ! D85 D(13,14,15,18) -110.4238 calculate D2E/DX2 analytically ! ! D86 D(13,14,15,19) 9.0721 calculate D2E/DX2 analytically ! ! D87 D(14,15,18,9) 27.6346 calculate D2E/DX2 analytically ! ! D88 D(14,15,18,10) 90.3251 calculate D2E/DX2 analytically ! ! D89 D(17,15,18,9) 148.655 calculate D2E/DX2 analytically ! ! D90 D(17,15,18,10) -148.6546 calculate D2E/DX2 analytically ! ! D91 D(19,15,18,9) -90.3248 calculate D2E/DX2 analytically ! ! D92 D(19,15,18,10) -27.6343 calculate D2E/DX2 analytically ! ! D93 D(14,15,19,16) -9.0724 calculate D2E/DX2 analytically ! ! D94 D(17,15,19,16) -128.3923 calculate D2E/DX2 analytically ! ! D95 D(18,15,19,16) 110.4234 calculate D2E/DX2 analytically ! ! D96 D(5,16,19,15) -109.4349 calculate D2E/DX2 analytically ! ! D97 D(13,16,19,15) 5.6666 calculate D2E/DX2 analytically ! ! D98 D(23,16,19,15) 154.4574 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 2.109575 -0.704030 -0.726604 2 6 0 1.193908 -1.364520 0.078362 3 6 0 0.792327 -0.778915 1.416792 4 6 0 0.792256 0.779263 1.416597 5 6 0 1.194149 1.364537 0.078119 6 6 0 2.109705 0.703725 -0.726718 7 1 0 2.649187 -1.244655 -1.501806 8 1 0 1.088418 -2.444690 -0.012065 9 1 0 -0.181006 -1.183365 1.715572 10 1 0 -0.181214 1.183717 1.714915 11 1 0 1.088860 2.444708 -0.012544 12 1 0 2.649444 1.244124 -1.501989 13 6 0 -0.758510 -0.694696 -0.970916 14 8 0 -1.815882 -1.147923 -0.185603 15 6 0 -2.404052 0.000061 0.418700 16 6 0 -0.758503 0.694525 -0.971074 17 1 0 -3.487475 0.000041 0.240401 18 1 0 -2.199784 0.000182 1.498213 19 8 0 -1.815882 1.147917 -0.185868 20 1 0 1.507304 1.142216 2.167943 21 1 0 1.507686 -1.141603 2.167973 22 1 0 -0.506248 -1.344778 -1.792055 23 1 0 -0.506199 1.344450 -1.792326 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.386601 0.000000 3 C 2.516922 1.515122 0.000000 4 C 2.920411 2.558907 1.558178 0.000000 5 C 2.400948 2.729057 2.558885 1.515119 0.000000 6 C 1.407755 2.400932 2.920332 2.516978 1.386607 7 H 1.088299 2.151543 3.490424 4.007682 3.379524 8 H 2.140847 1.089070 2.214522 3.538737 3.811761 9 H 3.382417 2.145615 1.095548 2.211003 3.326275 10 H 3.843477 3.326075 2.211014 1.095546 2.145558 11 H 3.386191 3.811760 3.538740 2.214526 1.089071 12 H 2.165175 3.379514 4.007599 3.490471 2.151540 13 C 2.878487 2.315510 2.848392 3.205877 3.025523 14 O 3.987347 3.029097 3.083276 3.617109 3.929668 15 C 4.709596 3.863059 3.437998 3.437927 3.863268 16 C 3.200249 3.025375 3.205932 2.848334 2.315723 17 H 5.723442 4.878896 4.506370 4.506298 4.879118 18 H 4.900643 3.923714 3.092952 3.092884 3.923890 19 O 4.373936 3.929503 3.617175 3.083210 3.029340 20 H 3.485650 3.278459 2.183155 1.098885 2.124819 21 H 2.988698 2.124764 1.098888 2.183147 3.278190 22 H 2.896252 2.527722 3.507591 4.061171 3.705305 23 H 3.489170 3.705180 4.061193 3.507507 2.527875 6 7 8 9 10 6 C 0.000000 7 H 2.165176 0.000000 8 H 3.386189 2.468889 0.000000 9 H 3.843598 4.285472 2.487390 0.000000 10 H 3.382347 4.924983 4.214233 2.367082 0.000000 11 H 2.140839 4.273631 4.889398 4.214482 2.487429 12 H 1.088299 2.488779 4.273643 4.925124 4.285411 13 C 3.200292 3.492377 2.719010 2.790972 3.327971 14 O 4.373973 4.656027 3.185385 2.507697 3.423544 15 C 4.709684 5.547331 4.284824 2.832721 2.832353 16 C 2.878613 3.956570 3.766362 3.328369 2.790539 17 H 5.723540 6.499475 5.194155 3.809110 3.808759 18 H 4.900713 5.836288 4.366991 2.350211 2.349966 19 O 3.987488 5.233826 4.622985 3.423911 2.507269 20 H 2.989017 4.524169 4.218269 2.909185 1.748728 21 H 3.485240 3.844596 2.574177 1.748740 2.909426 22 H 3.489200 3.170337 2.630804 3.526370 4.335640 23 H 2.896378 4.091983 4.479923 4.336006 3.525931 11 12 13 14 15 11 H 0.000000 12 H 2.468860 0.000000 13 C 3.766578 3.956667 0.000000 14 O 4.623254 5.233918 1.392899 0.000000 15 C 4.285173 5.547482 2.263079 1.424427 0.000000 16 C 2.719314 3.492568 1.389221 2.264869 2.263092 17 H 5.194538 6.499649 3.065485 2.072082 1.097996 18 H 4.367296 5.836404 2.942231 2.073828 1.098669 19 O 3.185786 4.656240 2.264853 2.295840 1.424437 20 H 2.574122 3.844902 4.284926 4.671989 4.434307 21 H 4.218020 4.523707 3.897178 4.072526 4.434529 22 H 4.480093 4.092059 1.077271 2.081966 3.209001 23 H 2.631046 3.170559 2.212802 3.241720 3.209028 16 17 18 19 20 16 C 0.000000 17 H 3.065496 0.000000 18 H 2.942241 1.800066 0.000000 19 O 1.392897 2.072088 2.073838 0.000000 20 H 3.897145 5.474285 3.936405 4.072349 0.000000 21 H 4.284926 5.474534 3.936697 4.672106 2.283819 22 H 2.212781 3.850601 3.937365 3.241683 5.091278 23 H 1.077272 3.850639 3.937376 2.081971 4.447339 21 22 23 21 H 0.000000 22 H 4.447362 0.000000 23 H 5.091185 2.689228 0.000000 Stoichiometry C9H12O2 Framework group C1[X(C9H12O2)] Deg. of freedom 63 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -2.109575 0.704030 -0.726604 2 6 0 -1.193908 1.364520 0.078362 3 6 0 -0.792327 0.778915 1.416792 4 6 0 -0.792256 -0.779263 1.416597 5 6 0 -1.194149 -1.364537 0.078119 6 6 0 -2.109705 -0.703725 -0.726718 7 1 0 -2.649187 1.244655 -1.501806 8 1 0 -1.088418 2.444690 -0.012065 9 1 0 0.181006 1.183365 1.715572 10 1 0 0.181214 -1.183717 1.714915 11 1 0 -1.088860 -2.444708 -0.012544 12 1 0 -2.649444 -1.244124 -1.501989 13 6 0 0.758510 0.694696 -0.970916 14 8 0 1.815882 1.147923 -0.185603 15 6 0 2.404052 -0.000061 0.418700 16 6 0 0.758503 -0.694525 -0.971074 17 1 0 3.487475 -0.000041 0.240401 18 1 0 2.199784 -0.000182 1.498213 19 8 0 1.815882 -1.147917 -0.185868 20 1 0 -1.507304 -1.142216 2.167943 21 1 0 -1.507686 1.141603 2.167973 22 1 0 0.506248 1.344778 -1.792055 23 1 0 0.506199 -1.344450 -1.792326 --------------------------------------------------------------------- Rotational constants (GHZ): 1.9100587 1.0127513 0.9486919 Standard basis: 6-31G(d) (6D, 7F) AO basis set (Overlap normalization): Atom C1 Shell 1 S 6 bf 1 - 1 -3.986519213253 1.330423869102 -1.373082843605 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C1 Shell 2 SP 3 bf 2 - 5 -3.986519213253 1.330423869102 -1.373082843605 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C1 Shell 3 SP 1 bf 6 - 9 -3.986519213253 1.330423869102 -1.373082843605 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C1 Shell 4 D 1 bf 10 - 15 -3.986519213253 1.330423869102 -1.373082843605 0.8000000000D+00 0.1000000000D+01 Atom C2 Shell 5 S 6 bf 16 - 16 -2.256159353452 2.578569081391 0.148082442680 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C2 Shell 6 SP 3 bf 17 - 20 -2.256159353452 2.578569081391 0.148082442680 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C2 Shell 7 SP 1 bf 21 - 24 -2.256159353452 2.578569081391 0.148082442680 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C2 Shell 8 D 1 bf 25 - 30 -2.256159353452 2.578569081391 0.148082442680 0.8000000000D+00 0.1000000000D+01 Atom C3 Shell 9 S 6 bf 31 - 31 -1.497281244062 1.471936008807 2.677348590718 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 -1.497281244062 1.471936008807 2.677348590718 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 -1.497281244062 1.471936008807 2.677348590718 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C3 Shell 12 D 1 bf 40 - 45 -1.497281244062 1.471936008807 2.677348590718 0.8000000000D+00 0.1000000000D+01 Atom C4 Shell 13 S 6 bf 46 - 46 -1.497147075583 -1.472593677480 2.676980094122 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 -1.497147075583 -1.472593677480 2.676980094122 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 -1.497147075583 -1.472593677480 2.676980094122 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C4 Shell 16 D 1 bf 55 - 60 -1.497147075583 -1.472593677480 2.676980094122 0.8000000000D+00 0.1000000000D+01 Atom C5 Shell 17 S 6 bf 61 - 61 -2.256614781087 -2.578601249643 0.147623239230 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C5 Shell 18 SP 3 bf 62 - 65 -2.256614781087 -2.578601249643 0.147623239230 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C5 Shell 19 SP 1 bf 66 - 69 -2.256614781087 -2.578601249643 0.147623239230 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C5 Shell 20 D 1 bf 70 - 75 -2.256614781087 -2.578601249643 0.147623239230 0.8000000000D+00 0.1000000000D+01 Atom C6 Shell 21 S 6 bf 76 - 76 -3.986764879526 -1.329847543099 -1.373298272384 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C6 Shell 22 SP 3 bf 77 - 80 -3.986764879526 -1.329847543099 -1.373298272384 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C6 Shell 23 SP 1 bf 81 - 84 -3.986764879526 -1.329847543099 -1.373298272384 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C6 Shell 24 D 1 bf 85 - 90 -3.986764879526 -1.329847543099 -1.373298272384 0.8000000000D+00 0.1000000000D+01 Atom H7 Shell 25 S 3 bf 91 - 91 -5.006238110551 2.352057060412 -2.838002321270 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H7 Shell 26 S 1 bf 92 - 92 -5.006238110551 2.352057060412 -2.838002321270 0.1612777588D+00 0.1000000000D+01 Atom H8 Shell 27 S 3 bf 93 - 93 -2.056812142254 4.619794558209 -0.022799822339 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H8 Shell 28 S 1 bf 94 - 94 -2.056812142254 4.619794558209 -0.022799822339 0.1612777588D+00 0.1000000000D+01 Atom H9 Shell 29 S 3 bf 95 - 95 0.342051562577 2.236235741956 3.241960964702 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H9 Shell 30 S 1 bf 96 - 96 0.342051562577 2.236235741956 3.241960964702 0.1612777588D+00 0.1000000000D+01 Atom H10 Shell 31 S 3 bf 97 - 97 0.342444622458 -2.236900972128 3.240719414632 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H10 Shell 32 S 1 bf 98 - 98 0.342444622458 -2.236900972128 3.240719414632 0.1612777588D+00 0.1000000000D+01 Atom H11 Shell 33 S 3 bf 99 - 99 -2.057647407721 -4.619828616469 -0.023705001156 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H11 Shell 34 S 1 bf 100 - 100 -2.057647407721 -4.619828616469 -0.023705001156 0.1612777588D+00 0.1000000000D+01 Atom H12 Shell 35 S 3 bf 101 - 101 -5.006723773484 -2.351053654864 -2.838348141152 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H12 Shell 36 S 1 bf 102 - 102 -5.006723773484 -2.351053654864 -2.838348141152 0.1612777588D+00 0.1000000000D+01 Atom C13 Shell 37 S 6 bf 103 - 103 1.433375962572 1.312785161555 -1.834765614582 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C13 Shell 38 SP 3 bf 104 - 107 1.433375962572 1.312785161555 -1.834765614582 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C13 Shell 39 SP 1 bf 108 - 111 1.433375962572 1.312785161555 -1.834765614582 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C13 Shell 40 D 1 bf 112 - 117 1.433375962572 1.312785161555 -1.834765614582 0.8000000000D+00 0.1000000000D+01 Atom O14 Shell 41 S 6 bf 118 - 118 3.431519463758 2.169260066175 -0.350739115987 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 O14 Shell 42 SP 3 bf 119 - 122 3.431519463758 2.169260066175 -0.350739115987 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 O14 Shell 43 SP 1 bf 123 - 126 3.431519463758 2.169260066175 -0.350739115987 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O14 Shell 44 D 1 bf 127 - 132 3.431519463758 2.169260066175 -0.350739115987 0.8000000000D+00 0.1000000000D+01 Atom C15 Shell 45 S 6 bf 133 - 133 4.542999681807 -0.000115299544 0.791228055294 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 46 SP 3 bf 134 - 137 4.542999681807 -0.000115299544 0.791228055294 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 47 SP 1 bf 138 - 141 4.542999681807 -0.000115299544 0.791228055294 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C15 Shell 48 D 1 bf 142 - 147 4.542999681807 -0.000115299544 0.791228055294 0.8000000000D+00 0.1000000000D+01 Atom C16 Shell 49 S 6 bf 148 - 148 1.433362732638 -1.312462066499 -1.835064191311 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 Atom C16 Shell 50 SP 3 bf 149 - 152 1.433362732638 -1.312462066499 -1.835064191311 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 Atom C16 Shell 51 SP 1 bf 153 - 156 1.433362732638 -1.312462066499 -1.835064191311 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 Atom C16 Shell 52 D 1 bf 157 - 162 1.433362732638 -1.312462066499 -1.835064191311 0.8000000000D+00 0.1000000000D+01 Atom H17 Shell 53 S 3 bf 163 - 163 6.590372437876 -0.000077506465 0.454291775527 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H17 Shell 54 S 1 bf 164 - 164 6.590372437876 -0.000077506465 0.454291775527 0.1612777588D+00 0.1000000000D+01 Atom H18 Shell 55 S 3 bf 165 - 165 4.156989104095 -0.000343956134 2.831211982184 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 Atom H18 Shell 56 S 1 bf 166 - 166 4.156989104095 -0.000343956134 2.831211982184 0.1612777588D+00 0.1000000000D+01 Atom O19 Shell 57 S 6 bf 167 - 167 3.431519460698 -2.169248778749 -0.351239893412 0.5484671660D+04 0.1831074430D-02 0.8252349460D+03 0.1395017220D-01 0.1880469580D+03 0.6844507810D-01 0.5296450000D+02 0.2327143360D+00 0.1689757040D+02 0.4701928980D+00 0.5799635340D+01 0.3585208530D+00 Atom O19 Shell 58 SP 3 bf 168 - 171 3.431519460698 -2.169248778749 -0.351239893412 0.1553961625D+02 -0.1107775495D+00 0.7087426823D-01 0.3599933586D+01 -0.1480262627D+00 0.3397528391D+00 0.1013761750D+01 0.1130767015D+01 0.7271585773D+00 Atom O19 Shell 59 SP 1 bf 172 - 175 3.431519460698 -2.169248778749 -0.351239893412 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 Atom O19 Shell 60 D 1 bf 176 - 181 3.431519460698 -2.169248778749 -0.351239893412 0.8000000000D+00 0.1000000000D+01 Atom H20 Shell 61 S 3 bf 182 - 182 -2.848391967934 -2.158475445637 4.096818265161 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 -2.848391967934 -2.158475445637 4.096818265161 0.1612777588D+00 0.1000000000D+01 Atom H21 Shell 63 S 3 bf 184 - 184 -2.849113840273 2.157317001445 4.096874956945 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 -2.849113840273 2.157317001445 4.096874956945 0.1612777588D+00 0.1000000000D+01 Atom H22 Shell 65 S 3 bf 186 - 186 0.956669869704 2.541262105810 -3.386493441614 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 0.956669869704 2.541262105810 -3.386493441614 0.1612777588D+00 0.1000000000D+01 Atom H23 Shell 67 S 3 bf 188 - 188 0.956577269540 -2.540642323078 -3.387005557396 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 0.956577269540 -2.540642323078 -3.387005557396 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 650.5347088001 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\kk3015\Desktop\Yr3 Computational\Transition states\Exercise 2\Exo\Cyclohexadiene_dioxole_exo_Opt_Freq_TS_MO.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) = -500.488668994 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. 53 vectors produced by pass 5 Test12= 8.43D-15 1.39D-09 XBig12= 9.07D-10 3.72D-06. 4 vectors produced by pass 6 Test12= 8.43D-15 1.39D-09 XBig12= 6.87D-13 1.06D-07. 2 vectors produced by pass 7 Test12= 8.43D-15 1.39D-09 XBig12= 5.80D-16 3.39D-09. InvSVY: IOpt=1 It= 1 EMax= 5.33D-15 Solved reduced A of dimension 404 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 -- -0.38964 -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 0.11233 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 0.31362 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 0.86450 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 1.09921 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 2.00053 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 0.00002 -0.00002 -0.00009 0.00004 2 2S -0.00007 0.00009 -0.00007 -0.00010 0.00006 3 2PX 0.00000 0.00000 -0.00002 -0.00007 0.00005 4 2PY -0.00001 -0.00001 0.00005 0.00001 0.00000 5 2PZ 0.00000 -0.00002 0.00001 0.00003 0.00001 6 3S 0.00083 -0.00083 0.00019 0.00040 0.00110 7 3PX 0.00034 -0.00032 0.00024 -0.00002 0.00054 8 3PY -0.00027 -0.00002 -0.00025 0.00018 -0.00035 9 3PZ 0.00024 -0.00015 0.00019 -0.00007 0.00056 10 4XX -0.00001 0.00001 -0.00001 -0.00006 0.00003 11 4YY -0.00001 0.00002 -0.00003 -0.00006 0.00005 12 4ZZ -0.00002 0.00004 -0.00003 -0.00007 0.00004 13 4XY -0.00001 -0.00001 -0.00001 0.00002 -0.00001 14 4XZ 0.00001 -0.00002 0.00002 0.00000 -0.00001 15 4YZ 0.00001 -0.00001 0.00000 0.00006 -0.00006 16 2 C 1S 0.00002 -0.00002 0.00004 -0.00011 0.00022 17 2S 0.00009 -0.00012 0.00012 -0.00041 0.00085 18 2PX 0.00001 0.00002 0.00003 -0.00010 0.00008 19 2PY 0.00000 0.00000 -0.00006 0.00008 -0.00015 20 2PZ 0.00001 0.00001 0.00003 -0.00003 0.00010 21 3S -0.00083 0.00080 -0.00079 0.00149 -0.00368 22 3PX -0.00005 -0.00012 -0.00019 0.00090 -0.00075 23 3PY 0.00039 -0.00029 0.00067 -0.00037 0.00137 24 3PZ -0.00009 -0.00022 -0.00037 0.00000 0.00002 25 4XX -0.00001 0.00003 0.00004 -0.00005 0.00013 26 4YY 0.00001 -0.00001 0.00004 -0.00020 0.00028 27 4ZZ 0.00001 -0.00001 0.00003 -0.00013 0.00020 28 4XY 0.00000 0.00002 0.00002 -0.00007 0.00010 29 4XZ -0.00001 0.00001 -0.00003 -0.00009 0.00012 30 4YZ 0.00001 0.00001 0.00002 0.00003 -0.00005 31 3 C 1S -0.00001 -0.00001 -0.00002 -0.00010 0.00014 32 2S -0.00004 -0.00004 -0.00005 -0.00012 0.00029 33 2PX -0.00003 0.00001 -0.00006 -0.00013 0.00015 34 2PY 0.00001 0.00000 0.00004 0.00004 0.00001 35 2PZ 0.00002 -0.00003 0.00000 0.00020 -0.00027 36 3S 0.00046 0.00019 0.00051 -0.00023 -0.00029 37 3PX 0.00000 0.00012 0.00002 0.00054 -0.00141 38 3PY -0.00014 0.00014 0.00001 -0.00019 0.00084 39 3PZ -0.00040 0.00023 -0.00041 -0.00027 0.00056 40 4XX -0.00003 0.00001 -0.00003 -0.00006 0.00011 41 4YY -0.00001 -0.00001 -0.00002 -0.00010 0.00010 42 4ZZ 0.00000 -0.00003 0.00002 -0.00011 0.00016 43 4XY 0.00000 0.00000 0.00002 0.00001 0.00005 44 4XZ 0.00002 -0.00002 0.00003 0.00001 -0.00003 45 4YZ 0.00001 0.00000 -0.00001 -0.00004 -0.00003 46 4 C 1S 0.00000 -0.00001 -0.00002 -0.00010 -0.00014 47 2S 0.00001 -0.00006 -0.00005 -0.00012 -0.00029 48 2PX 0.00003 -0.00001 -0.00006 -0.00013 -0.00015 49 2PY 0.00001 -0.00001 -0.00004 -0.00004 0.00001 50 2PZ -0.00003 -0.00001 0.00000 0.00020 0.00028 51 3S -0.00023 0.00044 0.00051 -0.00023 0.00029 52 3PX 0.00008 0.00009 0.00001 0.00054 0.00141 53 3PY -0.00020 -0.00001 -0.00001 0.00019 0.00084 54 3PZ 0.00045 -0.00007 -0.00041 -0.00027 -0.00057 55 4XX 0.00002 -0.00001 -0.00003 -0.00006 -0.00011 56 4YY 0.00000 -0.00001 -0.00002 -0.00010 -0.00010 57 4ZZ -0.00001 -0.00002 0.00002 -0.00011 -0.00017 58 4XY 0.00000 0.00000 -0.00002 -0.00001 0.00005 59 4XZ -0.00003 0.00000 0.00003 0.00001 0.00003 60 4YZ 0.00001 -0.00001 0.00001 0.00004 -0.00003 61 5 C 1S -0.00002 0.00000 0.00004 -0.00011 -0.00023 62 2S -0.00015 -0.00003 0.00012 -0.00041 -0.00085 63 2PX 0.00001 0.00002 0.00003 -0.00010 -0.00008 64 2PY 0.00000 0.00000 0.00006 -0.00008 -0.00015 65 2PZ 0.00000 0.00001 0.00003 -0.00003 -0.00010 66 3S 0.00115 0.00009 -0.00079 0.00147 0.00369 67 3PX -0.00003 -0.00012 -0.00019 0.00090 0.00076 68 3PY 0.00049 -0.00002 -0.00067 0.00036 0.00137 69 3PZ -0.00007 -0.00023 -0.00037 0.00000 -0.00002 70 4XX 0.00002 0.00001 0.00004 -0.00005 -0.00013 71 4YY -0.00002 -0.00001 0.00004 -0.00020 -0.00028 72 4ZZ -0.00002 0.00000 0.00003 -0.00012 -0.00020 73 4XY -0.00001 -0.00001 -0.00002 0.00007 0.00010 74 4XZ 0.00002 0.00000 -0.00003 -0.00009 -0.00012 75 4YZ 0.00000 -0.00001 -0.00002 -0.00003 -0.00005 76 6 C 1S 0.00002 0.00001 -0.00002 -0.00008 -0.00004 77 2S 0.00011 0.00002 -0.00007 -0.00010 -0.00006 78 2PX 0.00001 0.00000 -0.00002 -0.00007 -0.00005 79 2PY 0.00000 0.00001 -0.00005 -0.00001 0.00000 80 2PZ -0.00002 -0.00001 0.00001 0.00003 -0.00001 81 3S -0.00117 -0.00011 0.00019 0.00041 -0.00110 82 3PX -0.00046 -0.00003 0.00024 -0.00002 -0.00054 83 3PY -0.00019 0.00018 0.00025 -0.00017 -0.00035 84 3PZ -0.00028 0.00004 0.00019 -0.00007 -0.00057 85 4XX 0.00001 0.00000 -0.00001 -0.00006 -0.00003 86 4YY 0.00002 0.00001 -0.00003 -0.00006 -0.00005 87 4ZZ 0.00004 0.00002 -0.00003 -0.00007 -0.00004 88 4XY 0.00000 0.00001 0.00001 -0.00002 -0.00001 89 4XZ -0.00002 -0.00001 0.00002 0.00000 0.00001 90 4YZ 0.00001 0.00000 0.00000 -0.00006 -0.00006 91 7 H 1S 0.00001 0.00002 0.00003 0.00001 0.00002 92 2S 0.00010 -0.00002 0.00012 -0.00020 0.00028 93 8 H 1S 0.00000 -0.00001 -0.00002 -0.00006 0.00005 94 2S -0.00008 0.00006 -0.00025 -0.00007 -0.00001 95 9 H 1S -0.00007 0.00007 -0.00007 -0.00004 0.00018 96 2S 0.00018 -0.00041 0.00010 -0.00027 0.00023 97 10 H 1S 0.00010 0.00001 -0.00007 -0.00004 -0.00018 98 2S -0.00040 -0.00020 0.00010 -0.00027 -0.00023 99 11 H 1S -0.00001 -0.00001 -0.00002 -0.00006 -0.00005 100 2S 0.00010 -0.00001 -0.00025 -0.00007 0.00001 101 12 H 1S 0.00001 0.00002 0.00003 0.00001 -0.00001 102 2S -0.00009 0.00004 0.00012 -0.00020 -0.00028 103 13 C 1S -0.00001 0.00001 -0.00012 0.70413 -0.70027 104 2S -0.00008 0.00030 -0.00038 0.03471 -0.03550 105 2PX -0.00015 0.00022 0.00006 0.00041 -0.00036 106 2PY -0.00005 0.00014 0.00014 0.00024 0.00010 107 2PZ -0.00012 0.00017 0.00002 0.00061 -0.00067 108 3S 0.00120 -0.00191 0.00089 -0.00722 0.01897 109 3PX 0.00080 -0.00077 0.00066 0.00005 0.00024 110 3PY 0.00022 -0.00060 -0.00057 -0.00046 -0.00480 111 3PZ 0.00076 -0.00060 0.00080 -0.00081 0.00264 112 4XX -0.00008 0.00009 0.00007 -0.00641 0.00609 113 4YY -0.00014 0.00005 -0.00003 -0.00647 0.00588 114 4ZZ -0.00006 0.00003 -0.00003 -0.00636 0.00603 115 4XY -0.00001 0.00008 -0.00004 0.00009 0.00002 116 4XZ -0.00004 0.00006 0.00018 0.00019 -0.00019 117 4YZ 0.00000 0.00007 0.00000 -0.00007 0.00001 118 14 O 1S -0.42244 0.89834 -0.00007 -0.00003 0.00014 119 2S -0.01089 0.02331 0.00001 0.00009 0.00035 120 2PX 0.00011 -0.00024 -0.00009 0.00008 -0.00006 121 2PY 0.00040 -0.00079 0.00000 -0.00004 -0.00003 122 2PZ 0.00006 -0.00008 -0.00006 0.00006 -0.00002 123 3S -0.00579 0.01186 0.00114 0.00001 -0.00352 124 3PX 0.00025 -0.00028 0.00053 -0.00028 0.00045 125 3PY 0.00008 -0.00038 0.00039 0.00072 0.00031 126 3PZ 0.00007 -0.00014 0.00039 -0.00014 -0.00008 127 4XX 0.00352 -0.00743 -0.00010 -0.00015 0.00038 128 4YY 0.00350 -0.00753 -0.00050 -0.00004 0.00038 129 4ZZ 0.00352 -0.00744 -0.00002 -0.00008 0.00034 130 4XY -0.00001 0.00001 0.00016 -0.00009 0.00017 131 4XZ 0.00000 -0.00005 -0.00020 -0.00032 0.00037 132 4YZ -0.00001 0.00002 0.00020 -0.00004 0.00013 133 15 C 1S 0.00001 0.00002 0.99303 0.00001 0.00000 134 2S 0.00012 0.00033 0.04864 -0.00058 0.00000 135 2PX -0.00005 -0.00015 -0.00077 -0.00008 0.00000 136 2PY -0.00040 0.00014 0.00000 0.00000 0.00008 137 2PZ -0.00007 -0.00019 -0.00067 -0.00010 0.00000 138 3S -0.00097 -0.00269 -0.01350 0.00274 0.00001 139 3PX 0.00014 0.00040 0.00060 -0.00136 0.00000 140 3PY 0.00107 -0.00039 0.00000 0.00000 0.00025 141 3PZ 0.00020 0.00055 -0.00001 -0.00099 0.00000 142 4XX 0.00003 0.00008 -0.00875 0.00007 0.00000 143 4YY 0.00013 0.00037 -0.00875 0.00003 0.00000 144 4ZZ 0.00003 0.00010 -0.00878 0.00002 0.00000 145 4XY 0.00012 -0.00004 0.00000 0.00000 0.00002 146 4XZ 0.00003 0.00009 0.00006 0.00025 0.00000 147 4YZ 0.00016 -0.00006 0.00000 0.00000 0.00003 148 16 C 1S 0.00001 0.00000 -0.00012 0.69993 0.70446 149 2S 0.00025 0.00018 -0.00038 0.03449 0.03571 150 2PX 0.00025 0.00007 0.00006 0.00041 0.00036 151 2PY -0.00013 -0.00008 -0.00014 -0.00024 0.00010 152 2PZ 0.00020 0.00006 0.00002 0.00060 0.00067 153 3S -0.00215 -0.00071 0.00089 -0.00710 -0.01901 154 3PX -0.00110 -0.00008 0.00066 0.00005 -0.00024 155 3PY 0.00056 0.00032 0.00057 0.00049 -0.00480 156 3PZ -0.00097 0.00002 0.00080 -0.00079 -0.00265 157 4XX 0.00012 0.00002 0.00007 -0.00637 -0.00613 158 4YY 0.00014 -0.00005 -0.00003 -0.00643 -0.00591 159 4ZZ 0.00006 -0.00001 -0.00003 -0.00633 -0.00606 160 4XY -0.00006 -0.00005 0.00004 -0.00009 0.00002 161 4XZ 0.00007 0.00002 0.00018 0.00019 0.00019 162 4YZ -0.00005 -0.00005 0.00000 0.00007 0.00001 163 17 H 1S 0.00006 0.00017 -0.00018 -0.00007 0.00000 164 2S 0.00004 0.00012 0.00240 0.00015 0.00000 165 18 H 1S 0.00004 0.00011 -0.00007 -0.00013 0.00000 166 2S 0.00006 0.00016 0.00276 -0.00005 0.00000 167 19 O 1S 0.89833 0.42245 -0.00007 -0.00003 -0.00014 168 2S 0.02326 0.01101 0.00001 0.00009 -0.00035 169 2PX -0.00024 -0.00011 -0.00009 0.00008 0.00006 170 2PY 0.00081 0.00036 0.00000 0.00004 -0.00003 171 2PZ -0.00009 -0.00002 -0.00006 0.00006 0.00002 172 3S 0.01202 0.00544 0.00114 -0.00001 0.00352 173 3PX -0.00037 -0.00005 0.00053 -0.00028 -0.00045 174 3PY 0.00030 0.00025 -0.00039 -0.00072 0.00031 175 3PZ -0.00014 -0.00006 0.00039 -0.00014 0.00008 176 4XX -0.00745 -0.00348 -0.00010 -0.00015 -0.00038 177 4YY -0.00750 -0.00357 -0.00050 -0.00004 -0.00038 178 4ZZ -0.00745 -0.00348 -0.00002 -0.00008 -0.00034 179 4XY -0.00001 0.00000 -0.00016 0.00009 0.00017 180 4XZ -0.00003 -0.00004 -0.00020 -0.00032 -0.00038 181 4YZ -0.00002 -0.00001 -0.00020 0.00004 0.00013 182 20 H 1S -0.00003 -0.00001 0.00001 0.00005 0.00013 183 2S -0.00012 0.00001 0.00012 0.00049 0.00083 184 21 H 1S 0.00002 -0.00003 0.00001 0.00005 -0.00013 185 2S 0.00010 -0.00007 0.00012 0.00049 -0.00082 186 22 H 1S 0.00000 0.00012 0.00006 -0.00026 0.00012 187 2S 0.00009 0.00008 0.00039 0.00140 -0.00070 188 23 H 1S 0.00007 0.00009 0.00006 -0.00026 -0.00012 189 2S -0.00002 0.00012 0.00039 0.00139 0.00071 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 0.01216 0.01170 -0.00068 0.00056 0.69876 2 2S 0.00009 0.00019 -0.00022 0.00022 0.03470 3 2PX 0.00000 -0.00013 -0.00005 0.00008 0.00024 4 2PY -0.00015 -0.00006 0.00007 0.00004 0.00014 5 2PZ -0.00013 -0.00016 -0.00011 0.00007 -0.00002 6 3S 0.01084 0.00290 0.00053 -0.00042 -0.00755 7 3PX 0.00405 0.00105 0.00034 -0.00050 -0.00091 8 3PY -0.00106 0.00046 0.00003 -0.00006 -0.00069 9 3PZ 0.00434 0.00095 0.00033 -0.00030 -0.00041 10 4XX -0.00023 -0.00022 -0.00007 0.00004 -0.00669 11 4YY -0.00031 -0.00020 -0.00002 0.00003 -0.00674 12 4ZZ -0.00026 -0.00026 -0.00004 0.00003 -0.00662 13 4XY -0.00010 -0.00012 0.00007 -0.00002 0.00000 14 4XZ -0.00004 -0.00003 0.00005 -0.00004 0.00011 15 4YZ -0.00009 -0.00009 0.00000 0.00005 -0.00001 16 2 C 1S 0.72502 0.67832 -0.01407 0.01374 -0.01230 17 2S 0.03764 0.03392 -0.00084 0.00072 -0.00083 18 2PX 0.00032 0.00010 -0.00001 -0.00004 0.00019 19 2PY -0.00053 -0.00010 0.00005 0.00002 0.00009 20 2PZ 0.00005 -0.00001 -0.00011 -0.00009 0.00010 21 3S -0.02248 -0.01180 0.00288 -0.00389 0.00248 22 3PX 0.00037 -0.00021 0.00061 -0.00047 -0.00092 23 3PY 0.00669 0.00090 -0.00039 0.00097 -0.00060 24 3PZ -0.00041 -0.00004 0.00169 -0.00177 -0.00083 25 4XX -0.00617 -0.00620 -0.00001 -0.00007 -0.00002 26 4YY -0.00606 -0.00601 0.00008 -0.00004 0.00009 27 4ZZ -0.00621 -0.00613 -0.00013 0.00010 0.00000 28 4XY 0.00004 0.00009 0.00003 -0.00006 -0.00003 29 4XZ 0.00005 0.00016 -0.00004 0.00002 -0.00008 30 4YZ 0.00003 0.00003 0.00006 -0.00003 -0.00001 31 3 C 1S 0.01413 0.01338 0.70630 -0.69788 0.00037 32 2S 0.00036 0.00049 0.03552 -0.03581 -0.00015 33 2PX 0.00010 0.00003 0.00001 -0.00002 0.00010 34 2PY -0.00007 0.00000 0.00003 0.00003 0.00004 35 2PZ -0.00022 0.00006 -0.00014 0.00019 0.00004 36 3S 0.00763 0.00252 -0.01080 0.01966 0.00035 37 3PX -0.00214 -0.00031 -0.00002 0.00000 -0.00037 38 3PY -0.00036 0.00042 -0.00119 -0.00268 0.00002 39 3PZ -0.00307 -0.00117 0.00087 -0.00191 -0.00019 40 4XX -0.00016 -0.00023 -0.00631 0.00597 -0.00007 41 4YY -0.00022 -0.00024 -0.00667 0.00593 -0.00005 42 4ZZ -0.00020 -0.00032 -0.00640 0.00607 0.00000 43 4XY 0.00005 0.00003 0.00000 0.00000 -0.00001 44 4XZ -0.00007 -0.00006 -0.00003 0.00004 0.00004 45 4YZ 0.00016 0.00016 0.00005 0.00005 -0.00002 46 4 C 1S -0.01322 0.01428 0.69763 0.70655 0.00037 47 2S -0.00033 0.00052 0.03507 0.03624 -0.00015 48 2PX -0.00010 0.00004 0.00001 0.00002 0.00010 49 2PY -0.00007 0.00001 -0.00003 0.00003 -0.00004 50 2PZ 0.00023 0.00005 -0.00014 -0.00020 0.00004 51 3S -0.00745 0.00302 -0.01056 -0.01979 0.00034 52 3PX 0.00212 -0.00045 -0.00002 0.00000 -0.00037 53 3PY -0.00039 -0.00040 0.00122 -0.00267 -0.00002 54 3PZ 0.00298 -0.00137 0.00085 0.00192 -0.00019 55 4XX 0.00015 -0.00024 -0.00624 -0.00605 -0.00007 56 4YY 0.00020 -0.00026 -0.00660 -0.00601 -0.00005 57 4ZZ 0.00018 -0.00033 -0.00633 -0.00615 0.00000 58 4XY 0.00005 -0.00003 0.00000 0.00000 0.00001 59 4XZ 0.00007 -0.00006 -0.00003 -0.00004 0.00004 60 4YZ 0.00015 -0.00017 -0.00006 0.00005 0.00002 61 5 C 1S -0.67864 0.72473 -0.01390 -0.01391 -0.01240 62 2S -0.03531 0.03633 -0.00083 -0.00073 -0.00084 63 2PX -0.00031 0.00012 -0.00001 0.00004 0.00019 64 2PY -0.00052 0.00013 -0.00005 0.00002 -0.00009 65 2PZ -0.00005 -0.00001 -0.00012 0.00008 0.00010 66 3S 0.02165 -0.01326 0.00283 0.00393 0.00252 67 3PX -0.00039 -0.00018 0.00061 0.00048 -0.00093 68 3PY 0.00662 -0.00134 0.00038 0.00097 0.00061 69 3PZ 0.00040 -0.00006 0.00166 0.00179 -0.00083 70 4XX 0.00575 -0.00660 -0.00001 0.00007 -0.00002 71 4YY 0.00565 -0.00640 0.00008 0.00004 0.00009 72 4ZZ 0.00579 -0.00653 -0.00013 -0.00010 0.00000 73 4XY 0.00004 -0.00010 -0.00003 -0.00007 0.00003 74 4XZ -0.00004 0.00016 -0.00004 -0.00002 -0.00008 75 4YZ 0.00003 -0.00004 -0.00006 -0.00003 0.00001 76 6 C 1S -0.01136 0.01248 -0.00068 -0.00057 0.70482 77 2S -0.00008 0.00020 -0.00022 -0.00022 0.03500 78 2PX -0.00001 -0.00013 -0.00005 -0.00008 0.00024 79 2PY -0.00014 0.00007 -0.00007 0.00004 -0.00013 80 2PZ 0.00012 -0.00017 -0.00010 -0.00007 -0.00002 81 3S -0.01062 0.00361 0.00052 0.00042 -0.00770 82 3PX -0.00398 0.00132 0.00034 0.00050 -0.00093 83 3PY -0.00109 -0.00039 -0.00003 -0.00006 0.00066 84 3PZ -0.00427 0.00124 0.00032 0.00030 -0.00043 85 4XX 0.00021 -0.00024 -0.00007 -0.00004 -0.00674 86 4YY 0.00030 -0.00022 -0.00002 -0.00003 -0.00679 87 4ZZ 0.00024 -0.00027 -0.00004 -0.00003 -0.00668 88 4XY -0.00009 0.00013 -0.00007 -0.00002 -0.00001 89 4XZ 0.00004 -0.00003 0.00005 0.00004 0.00011 90 4YZ -0.00009 0.00009 0.00000 0.00005 0.00001 91 7 H 1S 0.00006 -0.00007 0.00001 -0.00001 -0.00031 92 2S 0.00115 0.00026 0.00026 -0.00024 0.00134 93 8 H 1S -0.00021 -0.00011 -0.00011 0.00006 -0.00004 94 2S 0.00031 0.00168 -0.00002 0.00006 0.00009 95 9 H 1S -0.00013 -0.00009 -0.00010 -0.00031 0.00001 96 2S 0.00060 0.00008 0.00221 -0.00210 0.00030 97 10 H 1S 0.00012 -0.00010 -0.00010 0.00031 0.00001 98 2S -0.00059 0.00012 0.00219 0.00213 0.00031 99 11 H 1S 0.00020 -0.00012 -0.00011 -0.00006 -0.00004 100 2S -0.00019 0.00170 -0.00002 -0.00006 0.00009 101 12 H 1S -0.00007 -0.00007 0.00001 0.00001 -0.00031 102 2S -0.00113 0.00034 0.00026 0.00024 0.00135 103 13 C 1S -0.00020 -0.00010 0.00002 0.00002 0.00002 104 2S -0.00129 -0.00054 -0.00014 0.00039 -0.00005 105 2PX 0.00020 0.00009 0.00004 -0.00004 0.00014 106 2PY -0.00009 0.00005 0.00016 0.00001 0.00000 107 2PZ -0.00006 -0.00003 -0.00016 0.00021 -0.00001 108 3S 0.00932 0.00215 0.00026 -0.00367 -0.00014 109 3PX -0.00092 -0.00049 0.00034 -0.00111 -0.00079 110 3PY -0.00196 0.00065 -0.00051 0.00201 -0.00015 111 3PZ 0.00319 0.00056 0.00082 -0.00242 -0.00038 112 4XX -0.00005 -0.00003 -0.00012 0.00011 -0.00014 113 4YY -0.00026 -0.00015 -0.00008 0.00005 -0.00006 114 4ZZ -0.00024 -0.00015 -0.00009 0.00012 -0.00013 115 4XY 0.00005 -0.00007 0.00002 -0.00005 -0.00006 116 4XZ -0.00003 -0.00007 0.00005 -0.00009 -0.00008 117 4YZ -0.00004 0.00006 0.00005 0.00004 -0.00006 118 14 O 1S 0.00011 0.00003 0.00006 -0.00003 -0.00004 119 2S 0.00051 0.00012 0.00028 -0.00016 -0.00019 120 2PX -0.00008 -0.00003 -0.00001 -0.00002 0.00000 121 2PY -0.00003 0.00000 -0.00002 -0.00003 0.00001 122 2PZ 0.00002 -0.00003 0.00002 0.00001 0.00003 123 3S -0.00310 -0.00064 -0.00150 0.00145 0.00101 124 3PX 0.00132 0.00043 0.00023 -0.00052 -0.00029 125 3PY 0.00048 -0.00011 0.00044 -0.00019 -0.00015 126 3PZ 0.00022 0.00025 -0.00014 -0.00022 -0.00032 127 4XX 0.00012 0.00002 0.00016 0.00001 -0.00008 128 4YY 0.00032 0.00009 0.00011 -0.00007 -0.00011 129 4ZZ 0.00036 0.00012 0.00019 -0.00006 -0.00009 130 4XY -0.00006 -0.00001 -0.00004 0.00004 0.00004 131 4XZ -0.00002 -0.00002 0.00000 -0.00002 0.00005 132 4YZ 0.00000 0.00001 0.00001 0.00004 0.00004 133 15 C 1S 0.00000 0.00002 0.00000 0.00000 -0.00001 134 2S 0.00001 0.00018 -0.00003 0.00000 -0.00008 135 2PX 0.00000 -0.00011 0.00002 0.00000 0.00000 136 2PY 0.00012 0.00000 0.00000 -0.00002 0.00000 137 2PZ 0.00000 0.00006 -0.00010 0.00000 0.00003 138 3S -0.00003 -0.00087 0.00104 0.00001 0.00030 139 3PX 0.00002 0.00065 -0.00041 0.00000 0.00000 140 3PY -0.00024 0.00001 0.00000 0.00026 0.00000 141 3PZ -0.00001 -0.00018 0.00032 0.00000 -0.00006 142 4XX 0.00000 0.00007 -0.00007 0.00000 -0.00002 143 4YY 0.00000 0.00001 0.00003 0.00000 0.00001 144 4ZZ 0.00000 0.00006 -0.00001 0.00000 -0.00004 145 4XY -0.00005 0.00000 0.00000 -0.00003 0.00000 146 4XZ 0.00000 -0.00003 0.00001 0.00000 0.00000 147 4YZ 0.00004 0.00000 0.00000 -0.00002 0.00000 148 16 C 1S 0.00019 -0.00011 0.00002 -0.00002 0.00002 149 2S 0.00125 -0.00062 -0.00013 -0.00039 -0.00005 150 2PX -0.00020 0.00010 0.00004 0.00004 0.00015 151 2PY -0.00009 -0.00004 -0.00016 0.00001 0.00000 152 2PZ 0.00006 -0.00003 -0.00015 -0.00021 0.00000 153 3S -0.00915 0.00276 0.00022 0.00368 -0.00015 154 3PX 0.00089 -0.00055 0.00033 0.00112 -0.00081 155 3PY -0.00199 -0.00052 0.00048 0.00201 0.00015 156 3PZ -0.00315 0.00077 0.00079 0.00243 -0.00039 157 4XX 0.00005 -0.00003 -0.00012 -0.00012 -0.00014 158 4YY 0.00025 -0.00017 -0.00008 -0.00005 -0.00006 159 4ZZ 0.00023 -0.00017 -0.00008 -0.00012 -0.00013 160 4XY 0.00005 0.00007 -0.00002 -0.00005 0.00006 161 4XZ 0.00003 -0.00007 0.00005 0.00009 -0.00008 162 4YZ -0.00004 -0.00005 -0.00006 0.00004 0.00006 163 17 H 1S 0.00000 -0.00002 -0.00002 0.00000 -0.00001 164 2S -0.00001 -0.00026 0.00013 0.00000 -0.00005 165 18 H 1S 0.00000 0.00009 -0.00004 0.00000 0.00001 166 2S 0.00001 0.00032 -0.00076 0.00000 -0.00006 167 19 O 1S -0.00010 0.00003 0.00006 0.00003 -0.00004 168 2S -0.00050 0.00015 0.00028 0.00016 -0.00019 169 2PX 0.00007 -0.00004 -0.00001 0.00002 0.00000 170 2PY -0.00003 0.00000 0.00002 -0.00003 -0.00001 171 2PZ -0.00002 -0.00002 0.00002 0.00000 0.00003 172 3S 0.00305 -0.00085 -0.00148 -0.00147 0.00103 173 3PX -0.00129 0.00052 0.00023 0.00053 -0.00029 174 3PY 0.00048 0.00008 -0.00044 -0.00020 0.00015 175 3PZ -0.00021 0.00027 -0.00015 0.00022 -0.00032 176 4XX -0.00012 0.00003 0.00016 -0.00001 -0.00008 177 4YY -0.00031 0.00011 0.00011 0.00007 -0.00012 178 4ZZ -0.00035 0.00014 0.00019 0.00006 -0.00009 179 4XY -0.00006 0.00001 0.00004 0.00004 -0.00004 180 4XZ 0.00002 -0.00002 0.00000 0.00002 0.00006 181 4YZ 0.00000 -0.00001 -0.00001 0.00004 -0.00004 182 20 H 1S 0.00039 -0.00014 -0.00009 0.00020 -0.00005 183 2S 0.00014 0.00013 0.00177 0.00178 -0.00014 184 21 H 1S -0.00040 -0.00011 -0.00009 -0.00020 -0.00005 185 2S -0.00013 0.00014 0.00179 -0.00176 -0.00013 186 22 H 1S -0.00022 -0.00013 0.00008 -0.00014 -0.00011 187 2S 0.00039 -0.00029 0.00058 -0.00118 -0.00007 188 23 H 1S 0.00021 -0.00015 0.00008 0.00014 -0.00011 189 2S -0.00040 -0.00027 0.00057 0.00118 -0.00007 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 0.70511 -0.00034 -0.00002 -0.09538 0.01853 2 2S 0.03573 0.00232 -0.00271 0.18221 -0.03474 3 2PX 0.00026 0.00108 -0.00075 0.03994 -0.00117 4 2PY -0.00029 -0.00042 -0.00050 -0.02998 0.00677 5 2PZ 0.00005 0.00015 -0.00009 0.03308 -0.00783 6 3S -0.01701 -0.00445 0.02195 0.11188 -0.03009 7 3PX -0.00240 -0.00292 0.00854 0.00063 -0.00202 8 3PY 0.00337 0.00016 -0.01026 -0.00183 0.00014 9 3PZ -0.00172 -0.00115 0.00564 -0.00174 -0.00222 10 4XX -0.00649 0.00025 -0.00018 -0.00440 0.00179 11 4YY -0.00614 0.00030 -0.00009 0.00298 -0.00056 12 4ZZ -0.00640 0.00041 -0.00045 -0.00337 0.00066 13 4XY 0.00012 -0.00008 -0.00026 0.00028 -0.00023 14 4XZ 0.00014 -0.00007 0.00015 0.00711 -0.00167 15 4YZ 0.00004 -0.00005 -0.00006 -0.00046 0.00014 16 2 C 1S -0.01210 -0.00188 0.00246 -0.09140 0.01321 17 2S -0.00074 0.00225 -0.00017 0.17063 -0.02625 18 2PX 0.00009 0.00154 -0.00109 -0.02432 0.01434 19 2PY 0.00010 -0.00063 -0.00058 -0.04654 0.00801 20 2PZ 0.00002 -0.00023 0.00070 0.00317 -0.01051 21 3S 0.00447 0.00685 -0.02164 0.13187 -0.01328 22 3PX -0.00093 0.00007 -0.00423 -0.00049 0.00160 23 3PY -0.00162 -0.00219 0.01160 -0.01393 -0.00134 24 3PZ -0.00061 -0.00034 -0.00364 0.00078 -0.00607 25 4XX -0.00009 0.00010 0.00015 -0.00551 0.00153 26 4YY -0.00006 -0.00028 0.00082 0.00086 -0.00027 27 4ZZ -0.00002 -0.00022 0.00068 -0.00068 -0.00068 28 4XY -0.00005 -0.00001 0.00005 0.00343 -0.00111 29 4XZ -0.00016 0.00007 -0.00012 0.00599 -0.00192 30 4YZ -0.00006 0.00001 0.00009 -0.00074 0.00092 31 3 C 1S 0.00027 -0.00166 0.00115 -0.08158 0.02465 32 2S -0.00014 0.00239 -0.00198 0.15286 -0.04710 33 2PX 0.00008 0.00108 -0.00111 -0.01409 0.00546 34 2PY -0.00003 0.00017 -0.00083 -0.01819 0.00662 35 2PZ 0.00009 -0.00087 0.00018 -0.03442 0.00014 36 3S -0.00017 -0.00019 0.00794 0.11365 -0.03489 37 3PX -0.00035 0.00161 -0.00279 -0.00242 0.00123 38 3PY -0.00006 -0.00161 0.00171 -0.00282 0.00328 39 3PZ -0.00004 -0.00105 -0.00241 -0.00208 0.00027 40 4XX -0.00005 0.00007 -0.00018 -0.00223 0.00040 41 4YY -0.00004 -0.00016 0.00028 0.00150 -0.00058 42 4ZZ -0.00001 -0.00021 0.00035 0.00107 0.00072 43 4XY 0.00004 0.00001 0.00000 -0.00006 -0.00006 44 4XZ 0.00002 -0.00030 0.00037 0.00194 -0.00065 45 4YZ 0.00001 -0.00008 0.00004 -0.00015 -0.00012 46 4 C 1S -0.00026 -0.00166 -0.00115 -0.08158 0.02466 47 2S 0.00014 0.00239 0.00198 0.15285 -0.04711 48 2PX -0.00007 0.00108 0.00111 -0.01409 0.00546 49 2PY -0.00003 -0.00017 -0.00083 0.01820 -0.00662 50 2PZ -0.00009 -0.00087 -0.00018 -0.03441 0.00014 51 3S 0.00017 -0.00018 -0.00794 0.11365 -0.03489 52 3PX 0.00035 0.00161 0.00280 -0.00241 0.00123 53 3PY -0.00006 0.00162 0.00171 0.00282 -0.00327 54 3PZ 0.00004 -0.00105 0.00241 -0.00208 0.00027 55 4XX 0.00005 0.00007 0.00018 -0.00223 0.00040 56 4YY 0.00004 -0.00016 -0.00028 0.00150 -0.00058 57 4ZZ 0.00001 -0.00021 -0.00035 0.00107 0.00072 58 4XY 0.00004 -0.00001 0.00000 0.00006 0.00006 59 4XZ -0.00002 -0.00030 -0.00037 0.00194 -0.00065 60 4YZ 0.00001 0.00008 0.00004 0.00015 0.00012 61 5 C 1S 0.01200 -0.00188 -0.00246 -0.09139 0.01323 62 2S 0.00074 0.00225 0.00017 0.17062 -0.02628 63 2PX -0.00009 0.00154 0.00109 -0.02431 0.01434 64 2PY 0.00010 0.00063 -0.00058 0.04654 -0.00801 65 2PZ -0.00002 -0.00023 -0.00070 0.00318 -0.01051 66 3S -0.00445 0.00685 0.02164 0.13186 -0.01331 67 3PX 0.00093 0.00007 0.00423 -0.00049 0.00160 68 3PY -0.00161 0.00219 0.01160 0.01392 0.00134 69 3PZ 0.00060 -0.00034 0.00365 0.00078 -0.00606 70 4XX 0.00009 0.00010 -0.00015 -0.00551 0.00153 71 4YY 0.00006 -0.00028 -0.00082 0.00087 -0.00027 72 4ZZ 0.00002 -0.00022 -0.00068 -0.00068 -0.00068 73 4XY -0.00005 0.00001 0.00005 -0.00343 0.00112 74 4XZ 0.00016 0.00007 0.00012 0.00599 -0.00192 75 4YZ -0.00006 -0.00001 0.00009 0.00074 -0.00092 76 6 C 1S -0.69905 -0.00034 0.00002 -0.09538 0.01854 77 2S -0.03543 0.00232 0.00271 0.18221 -0.03476 78 2PX -0.00026 0.00108 0.00075 0.03994 -0.00118 79 2PY -0.00029 0.00042 -0.00050 0.02997 -0.00676 80 2PZ -0.00005 0.00015 0.00009 0.03308 -0.00784 81 3S 0.01695 -0.00444 -0.02195 0.11188 -0.03009 82 3PX 0.00239 -0.00291 -0.00854 0.00064 -0.00202 83 3PY 0.00338 -0.00016 -0.01026 0.00183 -0.00013 84 3PZ 0.00171 -0.00115 -0.00564 -0.00174 -0.00222 85 4XX 0.00643 0.00025 0.00018 -0.00440 0.00179 86 4YY 0.00608 0.00030 0.00009 0.00298 -0.00056 87 4ZZ 0.00634 0.00041 0.00045 -0.00337 0.00066 88 4XY 0.00012 0.00008 -0.00026 -0.00028 0.00023 89 4XZ -0.00014 -0.00007 -0.00015 0.00711 -0.00167 90 4YZ 0.00004 0.00005 -0.00006 0.00046 -0.00014 91 7 H 1S -0.00025 0.00012 0.00004 0.03708 -0.00829 92 2S 0.00075 -0.00043 0.00320 0.00181 -0.00145 93 8 H 1S 0.00001 0.00044 -0.00093 0.03736 -0.00454 94 2S 0.00013 0.00104 -0.00364 0.00636 0.00024 95 9 H 1S 0.00002 0.00209 -0.00253 0.03706 -0.01329 96 2S 0.00033 0.00186 -0.00188 0.00200 -0.00618 97 10 H 1S -0.00002 0.00210 0.00254 0.03706 -0.01329 98 2S -0.00032 0.00186 0.00187 0.00200 -0.00618 99 11 H 1S -0.00001 0.00044 0.00093 0.03736 -0.00455 100 2S -0.00012 0.00104 0.00364 0.00635 0.00024 101 12 H 1S 0.00025 0.00012 -0.00004 0.03708 -0.00830 102 2S -0.00074 -0.00043 -0.00320 0.00181 -0.00145 103 13 C 1S 0.00001 -0.05621 0.04408 -0.02571 -0.12241 104 2S 0.00003 0.10426 -0.08664 0.05207 0.24580 105 2PX 0.00007 0.05979 -0.06053 -0.01488 0.02205 106 2PY -0.00003 -0.00912 -0.04360 -0.01419 -0.06650 107 2PZ 0.00003 0.04382 -0.04455 0.00150 -0.00993 108 3S -0.00084 0.03495 0.00910 0.03217 0.17211 109 3PX -0.00159 -0.00366 0.01821 -0.00320 -0.00226 110 3PY 0.00011 0.00021 -0.01692 -0.00195 -0.01028 111 3PZ -0.00139 -0.00408 0.02568 -0.00107 -0.00590 112 4XX -0.00012 0.00382 -0.00644 -0.00140 -0.00970 113 4YY -0.00005 -0.00147 0.00861 0.00137 0.00604 114 4ZZ -0.00006 -0.00073 -0.00180 -0.00082 -0.00696 115 4XY 0.00002 0.00226 -0.00613 0.00011 0.00065 116 4XZ -0.00007 0.01131 -0.01155 -0.00055 0.00474 117 4YZ -0.00005 0.00084 -0.00358 -0.00099 -0.00231 118 14 O 1S -0.00006 -0.13125 0.15242 0.00883 0.01419 119 2S -0.00030 0.28412 -0.33479 -0.02049 -0.03359 120 2PX 0.00002 -0.02241 0.03039 -0.02008 -0.12266 121 2PY 0.00000 -0.08689 0.06083 0.00854 0.03561 122 2PZ 0.00003 -0.00835 0.01426 -0.01174 -0.10844 123 3S 0.00184 0.28832 -0.35799 -0.02275 -0.03739 124 3PX -0.00052 -0.00923 0.02342 -0.00987 -0.05543 125 3PY -0.00020 -0.05298 0.03672 0.00479 0.01555 126 3PZ -0.00040 -0.00214 0.01099 -0.00502 -0.04936 127 4XX -0.00012 -0.00171 0.00000 0.00129 0.00396 128 4YY -0.00019 0.00722 0.00050 -0.00136 -0.00583 129 4ZZ -0.00016 -0.00460 0.00387 0.00018 0.00101 130 4XY 0.00004 0.00045 -0.00198 0.00195 0.01122 131 4XZ 0.00005 0.00716 -0.00771 0.00022 0.00388 132 4YZ 0.00003 -0.00191 0.00021 0.00132 0.01023 133 15 C 1S 0.00000 -0.08320 0.00000 0.01834 0.11738 134 2S 0.00000 0.16015 0.00000 -0.03863 -0.24499 135 2PX 0.00000 -0.06128 0.00000 0.00171 -0.01012 136 2PY -0.00002 0.00001 -0.12748 0.00000 0.00000 137 2PZ 0.00000 -0.05993 -0.00001 0.00672 -0.00417 138 3S 0.00000 0.02856 0.00000 -0.02224 -0.17824 139 3PX 0.00000 0.00866 0.00000 -0.00494 -0.00891 140 3PY 0.00011 0.00000 -0.00620 0.00000 0.00000 141 3PZ 0.00000 0.01227 0.00000 -0.00136 -0.00931 142 4XX 0.00000 -0.00116 0.00000 0.00107 0.00503 143 4YY 0.00000 0.00726 0.00000 -0.00129 -0.00324 144 4ZZ 0.00000 -0.00224 0.00000 0.00059 0.00459 145 4XY 0.00000 0.00000 0.01755 0.00000 0.00000 146 4XZ 0.00000 0.00959 0.00000 -0.00019 0.00357 147 4YZ -0.00001 0.00000 0.01777 0.00000 0.00000 148 16 C 1S -0.00001 -0.05621 -0.04408 -0.02570 -0.12240 149 2S -0.00003 0.10426 0.08664 0.05206 0.24580 150 2PX -0.00007 0.05979 0.06053 -0.01488 0.02205 151 2PY -0.00003 0.00911 -0.04361 0.01419 0.06650 152 2PZ -0.00003 0.04382 0.04454 0.00150 -0.00991 153 3S 0.00084 0.03495 -0.00909 0.03217 0.17211 154 3PX 0.00159 -0.00366 -0.01821 -0.00320 -0.00226 155 3PY 0.00011 -0.00021 -0.01692 0.00195 0.01028 156 3PZ 0.00139 -0.00408 -0.02569 -0.00106 -0.00590 157 4XX 0.00011 0.00382 0.00644 -0.00140 -0.00970 158 4YY 0.00005 -0.00147 -0.00861 0.00137 0.00604 159 4ZZ 0.00006 -0.00073 0.00180 -0.00082 -0.00696 160 4XY 0.00002 -0.00226 -0.00613 -0.00011 -0.00065 161 4XZ 0.00007 0.01131 0.01155 -0.00055 0.00474 162 4YZ -0.00005 -0.00084 -0.00358 0.00100 0.00231 163 17 H 1S 0.00000 0.02455 0.00000 -0.01041 -0.07732 164 2S 0.00000 0.00139 0.00000 0.00001 -0.01628 165 18 H 1S 0.00000 0.02534 0.00000 -0.00825 -0.07516 166 2S 0.00000 -0.00230 0.00000 0.00196 -0.01513 167 19 O 1S 0.00006 -0.13125 -0.15242 0.00883 0.01419 168 2S 0.00030 0.28412 0.33479 -0.02049 -0.03359 169 2PX -0.00002 -0.02242 -0.03040 -0.02008 -0.12266 170 2PY 0.00000 0.08689 0.06083 -0.00854 -0.03559 171 2PZ -0.00003 -0.00833 -0.01425 -0.01174 -0.10844 172 3S -0.00183 0.28832 0.35799 -0.02274 -0.03739 173 3PX 0.00052 -0.00924 -0.02342 -0.00987 -0.05543 174 3PY -0.00020 0.05298 0.03672 -0.00479 -0.01554 175 3PZ 0.00040 -0.00213 -0.01098 -0.00502 -0.04937 176 4XX 0.00012 -0.00171 0.00000 0.00129 0.00396 177 4YY 0.00019 0.00722 -0.00050 -0.00136 -0.00582 178 4ZZ 0.00016 -0.00460 -0.00387 0.00018 0.00101 179 4XY 0.00004 -0.00045 -0.00198 -0.00195 -0.01122 180 4XZ -0.00004 0.00716 0.00771 0.00022 0.00388 181 4YZ 0.00003 0.00191 0.00021 -0.00132 -0.01024 182 20 H 1S 0.00005 0.00050 0.00061 0.03921 -0.01538 183 2S 0.00007 0.00121 0.00136 0.00321 -0.00367 184 21 H 1S -0.00005 0.00050 -0.00061 0.03922 -0.01538 185 2S -0.00007 0.00121 -0.00136 0.00320 -0.00367 186 22 H 1S -0.00023 0.01251 -0.01447 0.01509 0.06814 187 2S -0.00031 -0.00345 0.00847 0.00255 0.01258 188 23 H 1S 0.00023 0.01251 0.01447 0.01508 0.06813 189 2S 0.00031 -0.00346 -0.00847 0.00255 0.01258 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 0.10572 0.06440 0.01274 0.00727 0.08066 2 2S -0.20540 -0.12805 -0.02553 -0.01530 -0.16378 3 2PX -0.00706 -0.04459 0.01059 -0.00458 -0.02125 4 2PY 0.05184 -0.07807 0.00820 -0.00964 -0.10415 5 2PZ 0.01100 -0.03744 -0.00022 0.00672 0.00047 6 3S -0.15237 -0.07285 -0.02503 -0.00478 -0.12773 7 3PX 0.00249 0.00657 0.00269 0.00316 0.00806 8 3PY 0.00493 -0.02229 0.00068 -0.00246 -0.03749 9 3PZ 0.00882 0.01008 -0.00274 0.00497 0.01708 10 4XX 0.00670 -0.00004 0.00186 -0.00029 0.00146 11 4YY -0.00490 0.00641 -0.00089 0.00069 0.00748 12 4ZZ 0.00601 -0.00096 0.00004 0.00053 0.00057 13 4XY 0.00084 -0.00408 -0.00012 -0.00034 -0.00109 14 4XZ -0.00472 -0.00713 -0.00106 -0.00002 -0.00613 15 4YZ 0.00176 -0.00269 0.00031 0.00080 0.00192 16 2 C 1S 0.00747 0.12444 -0.00049 -0.00481 0.02264 17 2S -0.01418 -0.24080 0.00018 0.01118 -0.04691 18 2PX 0.05829 0.02709 0.01392 -0.00123 0.09492 19 2PY 0.01148 0.00553 -0.00032 -0.00308 0.00526 20 2PZ 0.09022 -0.00674 -0.00712 0.04279 0.13781 21 3S -0.01431 -0.21043 0.00800 0.00039 -0.04358 22 3PX 0.00996 0.00285 -0.00010 -0.00202 0.02376 23 3PY 0.00625 0.00250 -0.00512 0.00312 -0.00098 24 3PZ 0.01542 0.00010 -0.00379 0.01692 0.03504 25 4XX -0.00218 0.00700 -0.00029 -0.00204 -0.00229 26 4YY -0.00061 0.00073 0.00012 0.00009 -0.00081 27 4ZZ 0.00531 0.00138 -0.00010 0.00213 0.00682 28 4XY -0.00503 -0.00333 -0.00124 -0.00048 -0.00396 29 4XZ -0.00164 -0.00666 -0.00099 0.00147 -0.00268 30 4YZ -0.00739 0.00133 0.00059 -0.00148 -0.00523 31 3 C 1S -0.11129 0.06713 0.00650 -0.03433 -0.09318 32 2S 0.21416 -0.13013 -0.01235 0.06896 0.18931 33 2PX 0.00844 0.01551 0.00763 -0.00345 0.01268 34 2PY -0.03642 -0.06529 0.00103 0.03476 0.09507 35 2PZ 0.01722 0.04146 -0.00619 0.00551 0.02003 36 3S 0.18755 -0.10781 -0.01229 0.06572 0.17956 37 3PX 0.00519 0.00524 0.00451 0.00040 0.00931 38 3PY -0.00547 -0.01783 -0.00001 0.00860 0.03889 39 3PZ 0.00638 0.00269 -0.00014 0.00279 0.01637 40 4XX -0.00074 -0.00076 0.00011 0.00151 0.00477 41 4YY 0.00374 0.00741 -0.00015 -0.00368 -0.01016 42 4ZZ -0.00473 -0.00512 0.00047 0.00010 -0.00048 43 4XY 0.00066 0.00119 -0.00021 -0.00017 0.00150 44 4XZ -0.00196 -0.00236 -0.00017 -0.00002 -0.00246 45 4YZ 0.00143 0.00346 0.00009 0.00087 0.00254 46 4 C 1S -0.11132 -0.06709 0.00649 0.03432 0.09318 47 2S 0.21421 0.13006 -0.01233 -0.06894 -0.18931 48 2PX 0.00843 -0.01552 0.00763 0.00344 -0.01270 49 2PY 0.03639 -0.06529 -0.00104 0.03477 0.09508 50 2PZ 0.01721 -0.04148 -0.00619 -0.00549 -0.02000 51 3S 0.18759 0.10775 -0.01226 -0.06571 -0.17955 52 3PX 0.00519 -0.00524 0.00451 -0.00040 -0.00932 53 3PY 0.00546 -0.01783 0.00001 0.00861 0.03889 54 3PZ 0.00638 -0.00270 -0.00014 -0.00279 -0.01635 55 4XX -0.00074 0.00076 0.00011 -0.00151 -0.00477 56 4YY 0.00374 -0.00741 -0.00015 0.00368 0.01016 57 4ZZ -0.00473 0.00513 0.00047 -0.00010 0.00048 58 4XY -0.00066 0.00119 0.00021 -0.00017 0.00150 59 4XZ -0.00196 0.00236 -0.00017 0.00002 0.00246 60 4YZ -0.00143 0.00345 -0.00009 0.00087 0.00255 61 5 C 1S 0.00742 -0.12444 -0.00049 0.00483 -0.02264 62 2S -0.01409 0.24081 0.00018 -0.01122 0.04691 63 2PX 0.05829 -0.02711 0.01393 0.00121 -0.09494 64 2PY -0.01151 0.00554 0.00031 -0.00305 0.00530 65 2PZ 0.09022 0.00671 -0.00711 -0.04279 -0.13780 66 3S -0.01424 0.21043 0.00800 -0.00043 0.04358 67 3PX 0.00996 -0.00285 -0.00010 0.00201 -0.02376 68 3PY -0.00626 0.00250 0.00511 0.00313 -0.00097 69 3PZ 0.01542 -0.00011 -0.00379 -0.01691 -0.03504 70 4XX -0.00218 -0.00700 -0.00029 0.00204 0.00229 71 4YY -0.00061 -0.00073 0.00012 -0.00009 0.00081 72 4ZZ 0.00531 -0.00138 -0.00010 -0.00213 -0.00682 73 4XY 0.00503 -0.00333 0.00124 -0.00048 -0.00396 74 4XZ -0.00163 0.00666 -0.00099 -0.00147 0.00267 75 4YZ 0.00739 0.00133 -0.00059 -0.00148 -0.00523 76 6 C 1S 0.10570 -0.06444 0.01274 -0.00728 -0.08066 77 2S -0.20536 0.12813 -0.02554 0.01532 0.16377 78 2PX -0.00705 0.04458 0.01059 0.00456 0.02123 79 2PY -0.05187 -0.07806 -0.00820 -0.00961 -0.10416 80 2PZ 0.01101 0.03741 -0.00022 -0.00673 -0.00048 81 3S -0.15234 0.07291 -0.02503 0.00481 0.12772 82 3PX 0.00249 -0.00658 0.00269 -0.00316 -0.00807 83 3PY -0.00493 -0.02229 -0.00068 -0.00246 -0.03748 84 3PZ 0.00882 -0.01008 -0.00274 -0.00497 -0.01708 85 4XX 0.00670 0.00004 0.00186 0.00029 -0.00146 86 4YY -0.00490 -0.00641 -0.00089 -0.00069 -0.00748 87 4ZZ 0.00601 0.00096 0.00004 -0.00053 -0.00057 88 4XY -0.00085 -0.00408 0.00012 -0.00033 -0.00109 89 4XZ -0.00472 0.00713 -0.00107 0.00002 0.00613 90 4YZ -0.00176 -0.00269 -0.00031 0.00080 0.00192 91 7 H 1S -0.06123 -0.03835 -0.01005 -0.00876 -0.08124 92 2S -0.01269 -0.00261 -0.00389 -0.00344 -0.02734 93 8 H 1S -0.00151 -0.07839 0.00120 0.00005 -0.01615 94 2S -0.00162 -0.01907 0.00015 -0.00331 -0.00473 95 9 H 1S 0.07057 -0.04276 -0.00107 0.03079 0.09334 96 2S 0.01290 -0.00874 -0.00180 0.01475 0.03179 97 10 H 1S 0.07058 0.04274 -0.00105 -0.03078 -0.09334 98 2S 0.01290 0.00873 -0.00180 -0.01475 -0.03179 99 11 H 1S -0.00148 0.07839 0.00120 -0.00008 0.01615 100 2S -0.00161 0.01907 0.00015 0.00330 0.00473 101 12 H 1S -0.06122 0.03838 -0.01005 0.00877 0.08123 102 2S -0.01269 0.00262 -0.00389 0.00344 0.02734 103 13 C 1S -0.00475 0.01206 -0.07241 0.09540 -0.02251 104 2S 0.00927 -0.02322 0.14730 -0.19676 0.04503 105 2PX 0.00303 0.01227 -0.08531 -0.03100 0.01198 106 2PY -0.00304 -0.01516 -0.15593 -0.13080 0.03061 107 2PZ 0.00726 -0.00044 -0.08062 0.01986 0.00233 108 3S 0.00866 -0.02694 0.12860 -0.18872 0.05487 109 3PX 0.00050 0.00446 -0.02247 0.00190 0.00808 110 3PY 0.00014 0.00038 -0.02897 -0.02719 0.00268 111 3PZ 0.00263 -0.00237 -0.01968 0.01219 0.00727 112 4XX -0.00120 0.00037 -0.01419 0.00289 -0.00136 113 4YY 0.00015 0.00102 0.00714 0.00733 -0.00180 114 4ZZ 0.00048 0.00010 -0.00463 -0.00003 0.00049 115 4XY 0.00019 0.00103 -0.00809 -0.00478 0.00178 116 4XZ -0.00033 0.00044 -0.00622 -0.00762 0.00190 117 4YZ -0.00006 0.00039 -0.00772 0.00424 -0.00014 118 14 O 1S 0.00235 -0.00715 0.07106 -0.02547 0.00812 119 2S -0.00547 0.01658 -0.16574 0.05880 -0.01852 120 2PX -0.01378 0.01548 0.07316 0.18528 -0.05830 121 2PY 0.00428 -0.00677 -0.08876 -0.05657 0.01760 122 2PZ -0.00318 0.00675 0.06652 0.16880 -0.04085 123 3S -0.00823 0.02076 -0.22093 0.08043 -0.03086 124 3PX -0.00676 0.00714 0.02849 0.08559 -0.02718 125 3PY 0.00336 -0.00377 -0.04835 -0.02426 0.00915 126 3PZ -0.00012 0.00251 0.02632 0.07956 -0.01598 127 4XX 0.00056 -0.00102 -0.00023 -0.00599 0.00168 128 4YY -0.00086 0.00046 0.01010 0.00336 -0.00115 129 4ZZ 0.00012 -0.00029 0.00085 -0.00283 0.00068 130 4XY 0.00114 -0.00052 -0.00146 -0.00716 0.00216 131 4XZ -0.00032 -0.00003 0.00109 -0.00506 0.00057 132 4YZ 0.00038 -0.00035 -0.00257 -0.00696 0.00168 133 15 C 1S 0.00912 0.00001 -0.12225 0.00000 0.00000 134 2S -0.01980 -0.00001 0.25807 0.00001 0.00001 135 2PX -0.00442 0.00000 0.06480 0.00000 0.00000 136 2PY 0.00000 0.01881 -0.00001 0.21590 -0.06312 137 2PZ 0.00607 0.00000 0.06778 0.00002 -0.00001 138 3S -0.01503 -0.00001 0.24382 0.00001 0.00001 139 3PX -0.00669 0.00000 0.02131 0.00000 0.00000 140 3PY 0.00000 0.00189 0.00000 0.05677 -0.01520 141 3PZ -0.00182 0.00000 0.02828 0.00001 0.00000 142 4XX 0.00069 0.00000 0.00236 0.00000 0.00000 143 4YY -0.00042 0.00000 -0.01362 0.00000 0.00000 144 4ZZ 0.00029 0.00000 0.00146 0.00000 0.00000 145 4XY 0.00000 -0.00129 0.00000 -0.01287 0.00323 146 4XZ -0.00007 0.00000 -0.00553 0.00000 0.00000 147 4YZ 0.00000 -0.00186 0.00000 -0.01406 0.00448 148 16 C 1S -0.00475 -0.01207 -0.07241 -0.09541 0.02250 149 2S 0.00928 0.02324 0.14729 0.19678 -0.04501 150 2PX 0.00302 -0.01226 -0.08531 0.03100 -0.01197 151 2PY 0.00304 -0.01515 0.15595 -0.13077 0.03064 152 2PZ 0.00726 0.00043 -0.08058 -0.01990 -0.00233 153 3S 0.00868 0.02696 0.12859 0.18873 -0.05486 154 3PX 0.00049 -0.00446 -0.02247 -0.00190 -0.00808 155 3PY -0.00014 0.00039 0.02897 -0.02718 0.00269 156 3PZ 0.00264 0.00237 -0.01968 -0.01220 -0.00727 157 4XX -0.00120 -0.00037 -0.01419 -0.00289 0.00136 158 4YY 0.00015 -0.00102 0.00714 -0.00733 0.00180 159 4ZZ 0.00048 -0.00010 -0.00463 0.00003 -0.00050 160 4XY -0.00019 0.00103 0.00809 -0.00478 0.00178 161 4XZ -0.00033 -0.00044 -0.00622 0.00762 -0.00190 162 4YZ 0.00006 0.00039 0.00772 0.00423 -0.00014 163 17 H 1S -0.00772 0.00000 0.11585 0.00000 0.00001 164 2S 0.00021 0.00000 0.03820 0.00000 0.00000 165 18 H 1S -0.00190 -0.00001 0.11587 0.00000 0.00000 166 2S 0.00654 0.00000 0.03555 0.00000 0.00000 167 19 O 1S 0.00235 0.00715 0.07106 0.02548 -0.00812 168 2S -0.00548 -0.01658 -0.16574 -0.05881 0.01850 169 2PX -0.01379 -0.01549 0.07316 -0.18528 0.05831 170 2PY -0.00429 -0.00677 0.08875 -0.05652 0.01760 171 2PZ -0.00318 -0.00677 0.06654 -0.16881 0.04085 172 3S -0.00824 -0.02076 -0.22092 -0.08045 0.03084 173 3PX -0.00676 -0.00714 0.02849 -0.08559 0.02718 174 3PY -0.00336 -0.00377 0.04835 -0.02424 0.00915 175 3PZ -0.00013 -0.00252 0.02633 -0.07957 0.01597 176 4XX 0.00056 0.00102 -0.00023 0.00599 -0.00168 177 4YY -0.00086 -0.00046 0.01009 -0.00336 0.00116 178 4ZZ 0.00012 0.00029 0.00085 0.00283 -0.00068 179 4XY -0.00114 -0.00052 0.00146 -0.00716 0.00216 180 4XZ -0.00032 0.00003 0.00109 0.00506 -0.00057 181 4YZ -0.00038 -0.00035 0.00258 -0.00696 0.00168 182 20 H 1S 0.06843 0.04373 -0.00807 -0.03305 -0.08667 183 2S 0.01613 0.00723 -0.00284 -0.01301 -0.03160 184 21 H 1S 0.06841 -0.04375 -0.00808 0.03306 0.08667 185 2S 0.01612 -0.00724 -0.00285 0.01302 0.03160 186 22 H 1S -0.00059 -0.01420 0.05360 -0.11567 0.02285 187 2S -0.00151 -0.00614 0.01636 -0.04773 0.01077 188 23 H 1S -0.00058 0.01420 0.05359 0.11567 -0.02285 189 2S -0.00151 0.00614 0.01636 0.04773 -0.01077 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 0.05700 -0.00370 -0.00456 -0.00525 -0.06954 2 2S -0.11520 0.00603 0.00978 0.00987 0.14349 3 2PX 0.08940 -0.01931 -0.02768 -0.11645 -0.06288 4 2PY 0.13460 -0.00267 0.00743 0.12255 0.08214 5 2PZ 0.08850 -0.03279 -0.05975 -0.14404 -0.07086 6 3S -0.10505 0.01671 0.01735 0.01927 0.15380 7 3PX 0.02722 -0.00291 -0.00619 -0.03702 -0.02733 8 3PY 0.02907 0.00142 0.00399 0.03503 0.03359 9 3PZ 0.02889 -0.00949 -0.01935 -0.04668 -0.03176 10 4XX 0.00703 -0.00040 0.00076 -0.00090 -0.00320 11 4YY -0.00385 0.00038 0.00101 0.00204 -0.00904 12 4ZZ 0.00294 -0.00007 -0.00049 0.00341 0.00280 13 4XY 0.00455 -0.00015 -0.00020 0.00210 -0.00786 14 4XZ 0.00046 -0.00055 -0.00003 0.00132 0.00555 15 4YZ 0.00465 -0.00026 -0.00027 0.00046 -0.00926 16 2 C 1S -0.10221 0.01243 0.00591 -0.00758 0.06160 17 2S 0.20674 -0.02605 -0.01125 0.01797 -0.12766 18 2PX 0.00355 0.00929 0.04269 0.01431 -0.07389 19 2PY 0.07521 0.01895 0.04312 0.19958 -0.11921 20 2PZ -0.00523 -0.00864 -0.02145 -0.01118 -0.01967 21 3S 0.19341 -0.02643 -0.01499 0.01836 -0.14638 22 3PX 0.00839 0.00957 0.01713 -0.00485 -0.03068 23 3PY 0.03143 0.00913 0.02112 0.08102 -0.04702 24 3PZ -0.00418 -0.00263 -0.00587 -0.01018 -0.00078 25 4XX -0.00818 0.00096 0.00299 -0.00020 0.00863 26 4YY 0.00404 -0.00063 0.00065 0.00238 -0.01114 27 4ZZ -0.00854 0.00206 0.00006 0.00181 0.00992 28 4XY 0.00041 0.00000 -0.00187 -0.00216 0.00004 29 4XZ -0.00002 -0.00128 0.00078 0.00152 0.00499 30 4YZ -0.00150 -0.00002 0.00103 -0.00081 0.00208 31 3 C 1S 0.04252 -0.00808 0.00682 -0.00557 -0.04544 32 2S -0.08562 0.01802 -0.01496 0.01014 0.09133 33 2PX -0.02395 0.00211 0.09665 0.03188 0.00769 34 2PY 0.07744 -0.00185 0.02339 0.08418 0.03414 35 2PZ -0.10177 0.03755 0.00527 0.10170 0.10455 36 3S -0.08413 0.01121 -0.01994 0.02786 0.12228 37 3PX -0.00901 -0.00468 0.04047 0.01507 0.00724 38 3PY 0.02420 -0.00042 0.00272 0.03835 0.00864 39 3PZ -0.03481 0.01451 -0.00661 0.04013 0.04435 40 4XX -0.00235 0.00083 0.00328 0.00497 0.00641 41 4YY -0.00228 0.00097 -0.00078 0.00096 -0.00755 42 4ZZ 0.00760 -0.00105 -0.00188 -0.00214 -0.00294 43 4XY -0.00165 0.00026 0.00069 -0.00075 0.00126 44 4XZ 0.00378 -0.00097 0.00063 -0.00322 -0.00274 45 4YZ -0.00494 0.00010 -0.00096 -0.00328 0.00987 46 4 C 1S 0.04252 -0.00808 0.00682 -0.00557 0.04544 47 2S -0.08563 0.01802 -0.01495 0.01014 -0.09135 48 2PX -0.02396 0.00211 0.09666 0.03187 -0.00779 49 2PY -0.07741 0.00184 -0.02338 -0.08420 0.03414 50 2PZ -0.10178 0.03755 0.00527 0.10168 -0.10450 51 3S -0.08413 0.01120 -0.01993 0.02787 -0.12230 52 3PX -0.00902 -0.00469 0.04046 0.01506 -0.00729 53 3PY -0.02419 0.00042 -0.00271 -0.03836 0.00864 54 3PZ -0.03482 0.01451 -0.00661 0.04012 -0.04433 55 4XX -0.00235 0.00082 0.00329 0.00497 -0.00641 56 4YY -0.00228 0.00097 -0.00078 0.00095 0.00754 57 4ZZ 0.00760 -0.00105 -0.00189 -0.00213 0.00294 58 4XY 0.00165 -0.00026 -0.00069 0.00075 0.00126 59 4XZ 0.00378 -0.00097 0.00063 -0.00323 0.00274 60 4YZ 0.00494 -0.00010 0.00095 0.00328 0.00987 61 5 C 1S -0.10221 0.01243 0.00593 -0.00757 -0.06160 62 2S 0.20674 -0.02605 -0.01129 0.01797 0.12767 63 2PX 0.00354 0.00928 0.04264 0.01427 0.07384 64 2PY -0.07521 -0.01894 -0.04309 -0.19958 -0.11925 65 2PZ -0.00525 -0.00864 -0.02149 -0.01122 0.01965 66 3S 0.19341 -0.02641 -0.01502 0.01836 0.14637 67 3PX 0.00838 0.00956 0.01711 -0.00486 0.03066 68 3PY -0.03143 -0.00912 -0.02110 -0.08101 -0.04705 69 3PZ -0.00419 -0.00263 -0.00588 -0.01019 0.00077 70 4XX -0.00818 0.00096 0.00300 -0.00020 -0.00863 71 4YY 0.00404 -0.00063 0.00064 0.00238 0.01114 72 4ZZ -0.00854 0.00206 0.00006 0.00181 -0.00992 73 4XY -0.00041 0.00000 0.00187 0.00216 0.00005 74 4XZ -0.00002 -0.00128 0.00078 0.00152 -0.00499 75 4YZ 0.00150 0.00002 -0.00103 0.00081 0.00209 76 6 C 1S 0.05700 -0.00370 -0.00459 -0.00524 0.06954 77 2S -0.11519 0.00604 0.00983 0.00986 -0.14349 78 2PX 0.08937 -0.01931 -0.02769 -0.11647 0.06289 79 2PY -0.13463 0.00267 -0.00745 -0.12250 0.08208 80 2PZ 0.08848 -0.03278 -0.05976 -0.14405 0.07087 81 3S -0.10504 0.01671 0.01740 0.01926 -0.15379 82 3PX 0.02722 -0.00291 -0.00620 -0.03703 0.02734 83 3PY -0.02908 -0.00142 -0.00400 -0.03502 0.03357 84 3PZ 0.02888 -0.00949 -0.01936 -0.04669 0.03177 85 4XX 0.00702 -0.00040 0.00076 -0.00090 0.00320 86 4YY -0.00385 0.00038 0.00100 0.00204 0.00904 87 4ZZ 0.00294 -0.00007 -0.00049 0.00341 -0.00280 88 4XY -0.00455 0.00015 0.00021 -0.00210 -0.00786 89 4XZ 0.00046 -0.00054 -0.00003 0.00131 -0.00556 90 4YZ -0.00466 0.00026 0.00027 -0.00046 -0.00926 91 7 H 1S -0.06454 0.01841 0.03452 0.12050 0.13843 92 2S -0.02740 0.01176 0.02237 0.08523 0.08666 93 8 H 1S 0.11678 0.00021 0.02013 0.11151 -0.13178 94 2S 0.05092 0.00380 0.01351 0.06812 -0.08343 95 9 H 1S -0.04246 0.01139 0.05537 0.04764 0.06776 96 2S -0.01761 0.01371 0.05148 0.02204 0.03710 97 10 H 1S -0.04246 0.01138 0.05539 0.04761 -0.06777 98 2S -0.01761 0.01371 0.05151 0.02202 -0.03710 99 11 H 1S 0.11678 0.00021 0.02010 0.11150 0.13179 100 2S 0.05092 0.00380 0.01349 0.06812 0.08344 101 12 H 1S -0.06453 0.01841 0.03456 0.12050 -0.13842 102 2S -0.02740 0.01176 0.02239 0.08522 -0.08665 103 13 C 1S 0.00938 -0.01088 -0.00407 0.00035 0.00588 104 2S -0.02083 0.02184 0.00862 -0.00108 -0.01077 105 2PX -0.02356 -0.04637 -0.05097 0.03423 0.05262 106 2PY 0.04752 0.19533 0.06025 -0.03874 -0.01149 107 2PZ 0.00371 -0.15377 0.06749 -0.01086 0.03788 108 3S -0.00966 0.04435 0.01529 -0.00642 -0.01815 109 3PX -0.00746 -0.00762 -0.02764 0.01432 0.01824 110 3PY 0.01394 0.06106 0.01984 -0.01141 -0.00885 111 3PZ 0.00437 -0.05090 0.03234 -0.00446 0.00577 112 4XX 0.00152 -0.00174 -0.00691 0.00150 0.00273 113 4YY -0.00087 0.00133 -0.00001 0.00014 -0.00111 114 4ZZ 0.00115 0.00280 0.00727 -0.00239 -0.00125 115 4XY 0.00091 0.00669 0.00442 -0.00441 0.00558 116 4XZ -0.00110 -0.00280 0.00205 0.00093 0.00326 117 4YZ 0.00074 0.00165 0.00110 -0.00030 0.00424 118 14 O 1S -0.00787 -0.02952 -0.00277 0.01110 -0.00414 119 2S 0.01893 0.06741 0.00642 -0.02494 0.00879 120 2PX 0.00466 0.05353 -0.16048 0.03339 -0.06331 121 2PY 0.02735 0.19859 0.08016 -0.06939 0.01149 122 2PZ 0.00854 -0.05732 0.12567 -0.03150 -0.05849 123 3S 0.02411 0.09922 0.00695 -0.04170 0.02137 124 3PX 0.00461 0.03584 -0.08927 0.01747 -0.03354 125 3PY 0.01586 0.11636 0.04812 -0.04077 0.00388 126 3PZ 0.00535 -0.02719 0.07608 -0.01900 -0.02974 127 4XX 0.00143 0.00629 0.00441 -0.00253 -0.00040 128 4YY -0.00198 -0.01676 -0.00726 0.00596 -0.00110 129 4ZZ 0.00065 0.00841 0.00325 -0.00174 -0.00074 130 4XY -0.00205 -0.01180 0.00815 -0.00047 0.00280 131 4XZ 0.00007 0.00511 -0.00055 -0.00080 -0.00002 132 4YZ -0.00149 -0.00144 -0.01119 0.00382 0.00235 133 15 C 1S -0.00096 -0.01077 -0.00554 -0.00027 0.00000 134 2S 0.00286 0.02344 0.00836 0.00201 0.00001 135 2PX 0.01562 0.22011 -0.14689 0.00046 -0.00004 136 2PY 0.00002 -0.00001 -0.00003 0.00002 -0.07078 137 2PZ 0.00729 0.07973 0.30137 -0.09949 0.00007 138 3S 0.00474 0.04138 0.02727 -0.00855 0.00001 139 3PX 0.00845 0.08451 -0.07300 0.00356 -0.00001 140 3PY 0.00001 0.00000 -0.00001 0.00001 -0.02804 141 3PZ 0.00408 0.01925 0.11941 -0.04302 0.00003 142 4XX -0.00055 -0.00014 -0.00211 0.00084 0.00000 143 4YY 0.00114 -0.00245 -0.00482 0.00048 0.00000 144 4ZZ -0.00100 -0.00010 0.00614 -0.00098 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00227 146 4XZ -0.00164 -0.01453 -0.00686 0.00449 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00290 148 16 C 1S 0.00936 -0.01088 -0.00407 0.00035 -0.00589 149 2S -0.02080 0.02184 0.00862 -0.00108 0.01079 150 2PX -0.02354 -0.04638 -0.05096 0.03425 -0.05261 151 2PY -0.04754 -0.19530 -0.06027 0.03874 -0.01150 152 2PZ 0.00369 -0.15381 0.06747 -0.01084 -0.03788 153 3S -0.00963 0.04436 0.01529 -0.00642 0.01816 154 3PX -0.00746 -0.00762 -0.02763 0.01432 -0.01824 155 3PY -0.01394 -0.06105 -0.01984 0.01141 -0.00886 156 3PZ 0.00436 -0.05091 0.03234 -0.00446 -0.00578 157 4XX 0.00152 -0.00174 -0.00691 0.00150 -0.00273 158 4YY -0.00087 0.00133 -0.00001 0.00014 0.00111 159 4ZZ 0.00115 0.00280 0.00727 -0.00239 0.00126 160 4XY -0.00092 -0.00669 -0.00442 0.00440 0.00558 161 4XZ -0.00110 -0.00280 0.00205 0.00093 -0.00325 162 4YZ -0.00074 -0.00165 -0.00111 0.00030 0.00424 163 17 H 1S 0.00690 0.10833 -0.09034 0.00870 -0.00003 164 2S 0.00243 0.06408 -0.05002 0.00280 -0.00002 165 18 H 1S 0.00034 0.02997 0.17195 -0.04819 0.00005 166 2S -0.00428 0.02516 0.10560 -0.02521 0.00003 167 19 O 1S -0.00787 -0.02952 -0.00277 0.01110 0.00414 168 2S 0.01892 0.06741 0.00642 -0.02494 -0.00879 169 2PX 0.00462 0.05353 -0.16048 0.03338 0.06324 170 2PY -0.02736 -0.19858 -0.08019 0.06939 0.01145 171 2PZ 0.00850 -0.05737 0.12565 -0.03151 0.05853 172 3S 0.02410 0.09922 0.00695 -0.04169 -0.02137 173 3PX 0.00459 0.03584 -0.08928 0.01746 0.03350 174 3PY -0.01586 -0.11636 -0.04814 0.04077 0.00386 175 3PZ 0.00532 -0.02721 0.07606 -0.01900 0.02976 176 4XX 0.00143 0.00629 0.00441 -0.00253 0.00040 177 4YY -0.00199 -0.01676 -0.00726 0.00596 0.00109 178 4ZZ 0.00065 0.00841 0.00325 -0.00174 0.00074 179 4XY 0.00204 0.01180 -0.00815 0.00046 0.00280 180 4XZ 0.00007 0.00512 -0.00055 -0.00080 0.00002 181 4YZ 0.00149 0.00143 0.01119 -0.00382 0.00236 182 20 H 1S -0.04641 0.01879 -0.03239 0.04632 -0.08452 183 2S -0.02136 0.00974 -0.01511 0.03115 -0.05213 184 21 H 1S -0.04640 0.01879 -0.03240 0.04630 0.08456 185 2S -0.02136 0.00974 -0.01512 0.03114 0.05216 186 22 H 1S 0.00745 0.12876 0.00465 -0.00974 -0.03701 187 2S 0.00579 0.07793 0.00772 -0.00247 -0.02723 188 23 H 1S 0.00747 0.12876 0.00465 -0.00975 0.03702 189 2S 0.00580 0.07793 0.00772 -0.00248 0.02725 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 0.01120 0.00120 -0.00259 0.00504 0.00674 2 2S -0.02096 -0.00220 0.00791 -0.01054 -0.01764 3 2PX 0.01416 0.00926 -0.03107 -0.15430 -0.12104 4 2PY -0.01103 -0.05719 -0.03608 -0.19641 0.01487 5 2PZ 0.03524 -0.05816 -0.01681 -0.07672 -0.16408 6 3S -0.03569 -0.00516 -0.00333 -0.01434 -0.02553 7 3PX -0.00017 0.00837 -0.01601 -0.06153 -0.01631 8 3PY 0.00466 -0.01737 -0.01231 -0.07222 0.03690 9 3PZ 0.01224 -0.02820 -0.00607 -0.02507 -0.03668 10 4XX -0.00010 0.00217 -0.00089 -0.00437 -0.00157 11 4YY 0.00214 0.00037 0.00117 0.00309 0.00777 12 4ZZ 0.00008 -0.00265 0.00010 0.00260 -0.00083 13 4XY 0.00198 -0.00173 -0.00027 -0.00082 -0.00671 14 4XZ -0.00022 -0.00064 0.00069 -0.00131 -0.00156 15 4YZ 0.00367 -0.00012 -0.00047 -0.00073 -0.01097 16 2 C 1S -0.02374 -0.00058 -0.00395 -0.00060 0.02736 17 2S 0.04993 -0.00101 0.00774 0.00101 -0.06302 18 2PX -0.01203 0.10545 0.03942 0.12509 0.10106 19 2PY 0.02919 -0.01636 0.00075 0.03514 0.25433 20 2PZ 0.02251 0.00100 0.04134 0.23683 -0.03096 21 3S 0.05784 0.01166 0.01690 0.01219 -0.09500 22 3PX -0.00312 0.04404 0.01134 0.03646 0.04769 23 3PY 0.00934 -0.01976 -0.00857 0.00708 0.07515 24 3PZ 0.02116 -0.00503 0.01306 0.08431 -0.01001 25 4XX -0.00268 -0.00004 0.00022 -0.00440 -0.00057 26 4YY 0.00332 0.00143 0.00081 0.00260 0.01169 27 4ZZ -0.00431 -0.00110 -0.00159 0.00350 -0.00279 28 4XY 0.00058 -0.00365 -0.00091 -0.00120 -0.00320 29 4XZ 0.00067 0.00388 0.00245 -0.00455 0.00024 30 4YZ -0.00094 0.00053 -0.00121 -0.00457 -0.00081 31 3 C 1S 0.01410 -0.00518 -0.00044 0.00002 0.00885 32 2S -0.03009 0.01145 0.00052 0.00169 -0.01672 33 2PX -0.01786 0.22940 0.07297 -0.12360 0.12740 34 2PY -0.01118 -0.01030 0.01420 0.14019 0.01425 35 2PZ -0.04258 -0.10548 -0.07152 -0.15615 0.07834 36 3S -0.04059 0.01712 0.00841 0.00240 -0.05379 37 3PX 0.00232 0.10343 0.03544 -0.05639 0.06028 38 3PY -0.00918 0.00082 0.01009 0.06578 0.03114 39 3PZ -0.02057 -0.04030 -0.02590 -0.07064 0.02678 40 4XX -0.00244 0.00088 -0.00017 -0.00463 0.00344 41 4YY 0.00212 0.00102 -0.00008 -0.00205 0.00505 42 4ZZ 0.00061 -0.00332 -0.00083 0.00507 -0.00687 43 4XY -0.00150 0.00302 0.00087 -0.00124 0.00780 44 4XZ 0.00134 0.00828 0.00354 -0.00200 -0.00167 45 4YZ -0.00352 -0.00011 -0.00057 -0.00273 0.00142 46 4 C 1S -0.01410 -0.00514 -0.00043 0.00003 -0.00885 47 2S 0.03010 0.01138 0.00049 0.00168 0.01673 48 2PX 0.01813 0.22935 0.07295 -0.12350 -0.12751 49 2PY -0.01120 0.01038 -0.01417 -0.14017 0.01426 50 2PZ 0.04242 -0.10561 -0.07157 -0.15615 -0.07843 51 3S 0.04061 0.01703 0.00839 0.00238 0.05380 52 3PX -0.00220 0.10342 0.03544 -0.05635 -0.06034 53 3PY -0.00920 -0.00078 -0.01008 -0.06579 0.03113 54 3PZ 0.02051 -0.04036 -0.02592 -0.07065 -0.02682 55 4XX 0.00244 0.00088 -0.00017 -0.00463 -0.00344 56 4YY -0.00211 0.00103 -0.00008 -0.00205 -0.00505 57 4ZZ -0.00061 -0.00332 -0.00083 0.00507 0.00688 58 4XY -0.00150 -0.00302 -0.00087 0.00124 0.00780 59 4XZ -0.00133 0.00827 0.00354 -0.00200 0.00167 60 4YZ -0.00352 0.00013 0.00057 0.00272 0.00142 61 5 C 1S 0.02373 -0.00063 -0.00396 -0.00059 -0.02737 62 2S -0.04993 -0.00090 0.00778 0.00098 0.06302 63 2PX 0.01217 0.10545 0.03943 0.12517 -0.10092 64 2PY 0.02920 0.01627 -0.00080 -0.03534 0.25432 65 2PZ -0.02247 0.00101 0.04133 0.23680 0.03117 66 3S -0.05781 0.01179 0.01694 0.01213 0.09502 67 3PX 0.00317 0.04405 0.01135 0.03650 -0.04764 68 3PY 0.00937 0.01973 0.00855 -0.00715 0.07515 69 3PZ -0.02115 -0.00502 0.01307 0.08430 0.01008 70 4XX 0.00268 -0.00005 0.00022 -0.00440 0.00056 71 4YY -0.00332 0.00144 0.00081 0.00260 -0.01169 72 4ZZ 0.00431 -0.00112 -0.00159 0.00350 0.00279 73 4XY 0.00059 0.00365 0.00091 0.00121 -0.00320 74 4XZ -0.00067 0.00387 0.00245 -0.00454 -0.00024 75 4YZ -0.00094 -0.00052 0.00121 0.00457 -0.00081 76 6 C 1S -0.01120 0.00124 -0.00257 0.00504 -0.00673 77 2S 0.02096 -0.00227 0.00788 -0.01054 0.01763 78 2PX -0.01419 0.00933 -0.03105 -0.15433 0.12095 79 2PY -0.01094 0.05724 0.03611 0.19644 0.01496 80 2PZ -0.03531 -0.05807 -0.01678 -0.07680 0.16402 81 3S 0.03569 -0.00526 -0.00336 -0.01432 0.02551 82 3PX 0.00017 0.00838 -0.01600 -0.06151 0.01628 83 3PY 0.00469 0.01738 0.01231 0.07222 0.03694 84 3PZ -0.01228 -0.02817 -0.00606 -0.02507 0.03667 85 4XX 0.00010 0.00217 -0.00088 -0.00437 0.00156 86 4YY -0.00214 0.00037 0.00117 0.00309 -0.00776 87 4ZZ -0.00008 -0.00265 0.00010 0.00260 0.00083 88 4XY 0.00198 0.00173 0.00027 0.00083 -0.00671 89 4XZ 0.00022 -0.00064 0.00069 -0.00131 0.00156 90 4YZ 0.00367 0.00011 0.00047 0.00074 -0.01097 91 7 H 1S -0.03400 0.00339 0.00882 0.01603 0.11251 92 2S -0.02851 0.00150 0.00539 0.01587 0.10980 93 8 H 1S 0.03818 -0.00211 0.00456 0.02001 0.13988 94 2S 0.02417 0.00269 0.00595 0.01912 0.14217 95 9 H 1S -0.03164 0.09956 0.02827 -0.06374 0.08251 96 2S -0.02291 0.06368 0.00951 -0.04922 0.07450 97 10 H 1S 0.03175 0.09950 0.02825 -0.06365 -0.08257 98 2S 0.02297 0.06364 0.00949 -0.04914 -0.07455 99 11 H 1S -0.03818 -0.00202 0.00460 0.02008 -0.13986 100 2S -0.02416 0.00274 0.00597 0.01918 -0.14215 101 12 H 1S 0.03402 0.00329 0.00878 0.01611 -0.11250 102 2S 0.02852 0.00143 0.00537 0.01595 -0.10979 103 13 C 1S 0.04335 0.00846 -0.00357 -0.00432 0.00571 104 2S -0.08674 -0.02289 0.01068 0.00808 -0.00806 105 2PX 0.13353 -0.09458 0.13115 -0.02801 -0.01139 106 2PY -0.07245 -0.02201 0.00089 -0.01147 -0.00262 107 2PZ 0.20087 -0.03063 0.16376 -0.02589 0.02551 108 3S -0.13910 -0.00850 0.01256 0.01685 -0.04802 109 3PX 0.03562 -0.03422 0.04726 -0.00534 -0.00372 110 3PY -0.00528 -0.00616 0.00328 0.00033 0.01918 111 3PZ 0.05307 -0.00403 0.06048 -0.00699 0.01614 112 4XX 0.01110 0.00027 0.00659 -0.00396 -0.00160 113 4YY -0.00183 0.00046 -0.00230 0.00138 0.00149 114 4ZZ -0.00420 0.00122 -0.00650 0.00176 0.00185 115 4XY 0.01347 -0.00070 0.00450 -0.00022 -0.00121 116 4XZ 0.00595 -0.00538 0.00273 -0.00138 0.00025 117 4YZ 0.02186 -0.00208 0.00452 -0.00011 0.00320 118 14 O 1S -0.01680 -0.01267 0.02331 -0.00419 0.00047 119 2S 0.03654 0.02831 -0.05156 0.00895 -0.00287 120 2PX -0.20189 0.12894 -0.15367 0.02091 -0.04591 121 2PY 0.02966 0.00066 0.02249 0.01388 0.02101 122 2PZ -0.12174 0.05275 -0.18957 0.04672 0.05296 123 3S 0.08737 0.04948 -0.10462 0.01779 0.00119 124 3PX -0.10898 0.07182 -0.08055 0.01163 -0.03279 125 3PY 0.00787 0.00891 0.00852 0.00960 0.01277 126 3PZ -0.05879 0.02984 -0.10564 0.03040 0.03688 127 4XX 0.00009 -0.00067 0.00830 -0.00066 0.00101 128 4YY -0.00227 -0.00028 -0.00208 -0.00071 -0.00156 129 4ZZ -0.00539 -0.00300 0.00038 -0.00006 -0.00122 130 4XY 0.00858 -0.00645 0.00492 -0.00083 0.00145 131 4XZ -0.00199 -0.00354 0.00343 -0.00036 -0.00144 132 4YZ 0.00511 -0.00045 0.00949 -0.00241 -0.00199 133 15 C 1S 0.00001 0.01987 -0.02040 -0.00014 -0.00001 134 2S -0.00001 -0.04360 0.04006 0.00102 0.00002 135 2PX 0.00007 0.00865 0.29899 -0.03914 -0.00004 136 2PY -0.19148 0.00012 0.00002 0.00001 -0.00993 137 2PZ -0.00013 -0.19840 0.06919 0.01122 0.00000 138 3S -0.00002 -0.05148 0.05403 0.00650 0.00002 139 3PX 0.00002 -0.00575 0.10989 -0.00774 -0.00001 140 3PY -0.08924 0.00005 0.00001 0.00000 0.00178 141 3PZ -0.00006 -0.08661 0.01954 0.01502 0.00001 142 4XX 0.00000 -0.00317 0.02270 -0.00375 0.00000 143 4YY 0.00000 0.01639 -0.02990 0.00468 0.00000 144 4ZZ 0.00000 -0.01230 0.00792 -0.00148 0.00000 145 4XY 0.00391 0.00000 0.00000 0.00000 -0.00212 146 4XZ 0.00000 0.00184 -0.00456 -0.00025 0.00000 147 4YZ 0.00850 0.00000 -0.00001 0.00000 0.00433 148 16 C 1S -0.04334 0.00850 -0.00356 -0.00432 -0.00571 149 2S 0.08672 -0.02298 0.01065 0.00806 0.00806 150 2PX -0.13359 -0.09446 0.13120 -0.02800 0.01139 151 2PY -0.07239 0.02209 -0.00089 0.01149 -0.00267 152 2PZ -0.20086 -0.03042 0.16383 -0.02585 -0.02553 153 3S 0.13910 -0.00863 0.01251 0.01682 0.04801 154 3PX -0.03564 -0.03419 0.04727 -0.00534 0.00373 155 3PY -0.00526 0.00617 -0.00329 -0.00034 0.01917 156 3PZ -0.05305 -0.00397 0.06050 -0.00697 -0.01614 157 4XX -0.01110 0.00028 0.00659 -0.00395 0.00160 158 4YY 0.00182 0.00045 -0.00230 0.00138 -0.00149 159 4ZZ 0.00420 0.00122 -0.00650 0.00176 -0.00185 160 4XY 0.01347 0.00069 -0.00451 0.00022 -0.00121 161 4XZ -0.00595 -0.00537 0.00273 -0.00138 -0.00025 162 4YZ 0.02186 0.00206 -0.00452 0.00011 0.00320 163 17 H 1S 0.00004 -0.00169 0.19585 -0.02668 -0.00002 164 2S 0.00004 0.00841 0.14793 -0.02503 -0.00002 165 18 H 1S -0.00007 -0.12927 0.03819 0.00245 0.00001 166 2S -0.00004 -0.07777 0.03192 -0.01652 0.00000 167 19 O 1S 0.01679 -0.01268 0.02331 -0.00419 -0.00046 168 2S -0.03654 0.02834 -0.05155 0.00895 0.00285 169 2PX 0.20198 0.12873 -0.15375 0.02087 0.04589 170 2PY 0.02964 -0.00070 -0.02246 -0.01390 0.02108 171 2PZ 0.12173 0.05265 -0.18961 0.04673 -0.05294 172 3S -0.08737 0.04957 -0.10459 0.01780 -0.00123 173 3PX 0.10904 0.07171 -0.08060 0.01160 0.03278 174 3PY 0.00785 -0.00893 -0.00850 -0.00961 0.01281 175 3PZ 0.05878 0.02980 -0.10566 0.03041 -0.03687 176 4XX -0.00009 -0.00067 0.00830 -0.00066 -0.00101 177 4YY 0.00227 -0.00028 -0.00208 -0.00071 0.00156 178 4ZZ 0.00539 -0.00301 0.00038 -0.00006 0.00122 179 4XY 0.00859 0.00644 -0.00493 0.00083 0.00145 180 4XZ 0.00199 -0.00354 0.00343 -0.00036 0.00144 181 4YZ 0.00511 0.00045 -0.00949 0.00241 -0.00199 182 20 H 1S 0.02571 -0.12774 -0.05408 0.01220 0.02405 183 2S 0.01198 -0.10026 -0.04368 0.00922 0.01493 184 21 H 1S -0.02586 -0.12769 -0.05406 0.01226 -0.02407 185 2S -0.01210 -0.10023 -0.04367 0.00927 -0.01495 186 22 H 1S -0.18979 0.01015 -0.08950 0.01444 -0.01385 187 2S -0.14822 0.01125 -0.07275 0.00772 -0.00331 188 23 H 1S 0.18977 0.00996 -0.08957 0.01441 0.01388 189 2S 0.14821 0.01110 -0.07281 0.00770 0.00333 31 32 33 34 35 O O O O O Eigenvalues -- -0.38964 -0.38415 -0.37329 -0.35526 -0.34882 1 1 C 1S -0.00999 0.01764 0.01083 -0.00563 -0.00511 2 2S 0.02442 -0.04016 -0.02195 0.00836 0.01106 3 2PX 0.02173 -0.07886 -0.05001 0.02593 -0.06474 4 2PY -0.11437 0.19125 0.00073 0.00043 0.08213 5 2PZ 0.06210 -0.09331 -0.01744 0.01613 0.08544 6 3S 0.01835 -0.06651 -0.07764 0.05452 0.01058 7 3PX 0.00345 -0.03126 -0.03147 0.02535 -0.03995 8 3PY -0.03865 0.05037 0.01269 -0.00307 0.03212 9 3PZ 0.02361 -0.02974 -0.01972 0.01899 0.04541 10 4XX -0.00311 0.00315 -0.00321 0.00086 -0.00326 11 4YY 0.00326 -0.00571 0.00484 -0.00224 -0.00106 12 4ZZ -0.00360 0.00915 0.00062 -0.00079 0.00378 13 4XY 0.00093 -0.00115 -0.00197 0.00123 0.00182 14 4XZ -0.00264 0.00609 -0.00204 0.00113 0.00290 15 4YZ 0.00077 -0.00278 0.00017 0.00078 -0.00156 16 2 C 1S -0.00339 -0.00256 0.00623 -0.00443 -0.00778 17 2S 0.00582 0.00655 -0.01854 0.01276 0.01954 18 2PX -0.00252 0.01299 -0.05238 0.01323 -0.09596 19 2PY 0.01289 -0.05039 0.13676 -0.05872 -0.02132 20 2PZ 0.01551 0.03912 0.03081 -0.01262 0.06736 21 3S 0.01606 0.01083 0.01221 -0.01656 0.01464 22 3PX -0.00160 -0.01053 -0.05380 0.02956 -0.05666 23 3PY 0.00481 -0.00966 0.01683 -0.00962 -0.00985 24 3PZ 0.00693 -0.01470 0.01455 -0.00025 0.04227 25 4XX -0.00094 0.00035 -0.00514 0.00165 0.00137 26 4YY 0.00196 -0.00346 0.00662 -0.00265 -0.00410 27 4ZZ -0.00151 0.00076 -0.00026 -0.00010 -0.00218 28 4XY 0.00435 -0.00588 0.00128 -0.00025 0.00135 29 4XZ 0.00133 0.00137 -0.00401 0.00235 0.00624 30 4YZ 0.00223 -0.01022 -0.00122 0.00048 -0.00250 31 3 C 1S 0.00305 -0.02069 0.00249 -0.00130 -0.00272 32 2S -0.00755 0.04516 0.00035 0.00387 0.00792 33 2PX 0.08121 -0.04531 -0.15595 0.08163 0.08065 34 2PY 0.07395 -0.21889 0.01050 -0.00259 0.04210 35 2PZ 0.00720 -0.16430 0.09247 -0.04277 -0.06566 36 3S -0.00370 0.08486 -0.04622 -0.00035 -0.00103 37 3PX 0.03274 -0.01868 -0.06141 0.02250 0.03264 38 3PY 0.03468 -0.09032 0.04182 -0.01347 0.01866 39 3PZ 0.01608 -0.08315 0.06037 -0.02689 -0.02498 40 4XX 0.00435 -0.01049 -0.00122 0.00088 0.00329 41 4YY -0.00171 0.00682 0.00236 -0.00078 -0.00059 42 4ZZ -0.00110 -0.00219 0.00012 -0.00014 -0.00285 43 4XY 0.00073 -0.00053 -0.01121 0.00586 0.00004 44 4XZ 0.00447 0.00227 -0.00668 0.00433 0.00978 45 4YZ -0.00023 -0.00022 0.00379 -0.00186 -0.00002 46 4 C 1S 0.00306 -0.02068 -0.00248 0.00130 -0.00272 47 2S -0.00755 0.04515 -0.00037 -0.00386 0.00793 48 2PX 0.08124 -0.04524 0.15595 -0.08164 0.08059 49 2PY -0.07395 0.21893 0.01042 -0.00254 -0.04208 50 2PZ 0.00718 -0.16427 -0.09245 0.04277 -0.06563 51 3S -0.00372 0.08487 0.04619 0.00037 -0.00102 52 3PX 0.03277 -0.01865 0.06139 -0.02250 0.03262 53 3PY -0.03468 0.09034 0.04179 -0.01345 -0.01866 54 3PZ 0.01609 -0.08314 -0.06035 0.02688 -0.02493 55 4XX 0.00435 -0.01048 0.00123 -0.00089 0.00330 56 4YY -0.00171 0.00682 -0.00236 0.00079 -0.00059 57 4ZZ -0.00110 -0.00220 -0.00012 0.00015 -0.00286 58 4XY -0.00073 0.00052 -0.01121 0.00586 -0.00004 59 4XZ 0.00447 0.00227 0.00667 -0.00433 0.00977 60 4YZ 0.00023 0.00023 0.00379 -0.00186 0.00002 61 5 C 1S -0.00338 -0.00256 -0.00622 0.00442 -0.00778 62 2S 0.00581 0.00655 0.01853 -0.01276 0.01953 63 2PX -0.00249 0.01303 0.05233 -0.01321 -0.09596 64 2PY -0.01291 0.05038 0.13677 -0.05873 0.02133 65 2PZ 0.01548 0.03913 -0.03082 0.01262 0.06733 66 3S 0.01607 0.01080 -0.01224 0.01657 0.01467 67 3PX -0.00157 -0.01050 0.05377 -0.02955 -0.05667 68 3PY -0.00480 0.00966 0.01682 -0.00962 0.00987 69 3PZ 0.00694 -0.01470 -0.01456 0.00026 0.04226 70 4XX -0.00094 0.00035 0.00515 -0.00165 0.00137 71 4YY 0.00197 -0.00347 -0.00663 0.00265 -0.00410 72 4ZZ -0.00151 0.00077 0.00026 0.00010 -0.00218 73 4XY -0.00435 0.00588 0.00128 -0.00025 -0.00135 74 4XZ 0.00133 0.00138 0.00402 -0.00235 0.00624 75 4YZ -0.00222 0.01022 -0.00123 0.00048 0.00250 76 6 C 1S -0.00999 0.01763 -0.01083 0.00563 -0.00510 77 2S 0.02442 -0.04016 0.02196 -0.00836 0.01106 78 2PX 0.02175 -0.07891 0.05004 -0.02594 -0.06474 79 2PY 0.11436 -0.19123 0.00066 0.00047 -0.08213 80 2PZ 0.06209 -0.09336 0.01749 -0.01615 0.08544 81 3S 0.01834 -0.06648 0.07766 -0.05452 0.01054 82 3PX 0.00346 -0.03126 0.03148 -0.02535 -0.03996 83 3PY 0.03862 -0.05036 0.01266 -0.00305 -0.03213 84 3PZ 0.02361 -0.02974 0.01975 -0.01900 0.04539 85 4XX -0.00311 0.00315 0.00321 -0.00086 -0.00326 86 4YY 0.00326 -0.00571 -0.00484 0.00224 -0.00106 87 4ZZ -0.00360 0.00916 -0.00062 0.00079 0.00378 88 4XY -0.00093 0.00115 -0.00197 0.00123 -0.00182 89 4XZ -0.00264 0.00609 0.00204 -0.00113 0.00290 90 4YZ -0.00076 0.00278 0.00017 0.00078 0.00156 91 7 H 1S -0.06115 0.11467 0.01200 -0.01066 0.01681 92 2S -0.05781 0.11958 0.00973 -0.00875 0.01667 93 8 H 1S 0.01387 -0.03208 0.07863 -0.03236 -0.02009 94 2S 0.01011 -0.03590 0.08717 -0.02907 -0.02221 95 9 H 1S 0.06089 -0.08555 -0.08469 0.04661 0.05426 96 2S 0.04165 -0.08611 -0.09763 0.06870 0.05670 97 10 H 1S 0.06090 -0.08547 0.08476 -0.04665 0.05424 98 2S 0.04165 -0.08604 0.09770 -0.06874 0.05666 99 11 H 1S 0.01388 -0.03208 -0.07865 0.03237 -0.02009 100 2S 0.01013 -0.03590 -0.08719 0.02909 -0.02220 101 12 H 1S -0.06113 0.11469 -0.01201 0.01065 0.01680 102 2S -0.05780 0.11960 -0.00974 0.00875 0.01665 103 13 C 1S 0.01689 0.00694 0.01729 0.03095 -0.00027 104 2S -0.03769 -0.01690 -0.03517 -0.07035 0.00351 105 2PX 0.11956 0.02817 0.05553 -0.07432 0.12388 106 2PY 0.23109 0.11832 -0.00839 0.00356 -0.18250 107 2PZ -0.09960 -0.03291 -0.08251 -0.04468 -0.12772 108 3S -0.05887 -0.02341 -0.07142 -0.10611 0.00159 109 3PX 0.05942 0.01763 0.05557 0.00859 0.08671 110 3PY 0.05969 0.02882 0.01931 0.05217 -0.05864 111 3PZ -0.04602 -0.00577 -0.03759 0.01252 -0.08091 112 4XX 0.01016 0.00359 0.00611 -0.00543 0.00039 113 4YY -0.00909 -0.00439 0.00396 0.01151 0.00543 114 4ZZ 0.00693 0.00473 -0.00790 -0.00274 -0.00897 115 4XY -0.00675 -0.00170 0.00604 0.00330 -0.00188 116 4XZ 0.00732 0.00269 -0.00251 -0.00900 -0.00648 117 4YZ -0.00407 -0.00262 -0.00412 0.00351 0.00620 118 14 O 1S 0.03751 0.01425 -0.01761 -0.03612 -0.01841 119 2S -0.07462 -0.02607 0.03965 0.07271 0.03595 120 2PX -0.04357 -0.02394 0.17543 0.06750 0.13861 121 2PY -0.20891 -0.08341 0.09719 0.41167 0.10605 122 2PZ -0.11696 -0.03180 -0.20952 0.03333 -0.09784 123 3S -0.17861 -0.07432 0.06346 0.13343 0.08452 124 3PX -0.02992 -0.01449 0.12787 0.04961 0.09596 125 3PY -0.12844 -0.05036 0.06190 0.27481 0.06921 126 3PZ -0.07708 -0.02164 -0.13952 0.02383 -0.06025 127 4XX -0.00403 -0.00040 -0.00514 0.00060 -0.01004 128 4YY 0.01542 0.00641 -0.00349 -0.02028 -0.00698 129 4ZZ 0.00532 0.00242 0.00345 0.00181 0.00747 130 4XY 0.00010 -0.00003 -0.00861 -0.00813 -0.00210 131 4XZ 0.00067 0.00041 0.00243 -0.00199 0.00135 132 4YZ 0.00249 -0.00081 0.00771 -0.00315 0.00640 133 15 C 1S -0.03130 -0.01593 0.00001 0.00000 0.02086 134 2S 0.07640 0.03965 -0.00002 0.00000 -0.05254 135 2PX -0.15448 -0.07159 0.00002 -0.00001 -0.06520 136 2PY 0.00000 0.00000 -0.06917 -0.17972 -0.00002 137 2PZ -0.01810 0.00012 -0.00001 -0.00002 0.17944 138 3S 0.08254 0.04564 -0.00002 0.00001 -0.06788 139 3PX -0.06702 -0.03035 0.00001 -0.00001 -0.00660 140 3PY 0.00000 0.00000 -0.02101 -0.00551 -0.00001 141 3PZ -0.02680 0.00025 0.00000 0.00000 0.04819 142 4XX -0.00403 -0.00156 0.00000 0.00000 -0.01842 143 4YY -0.01126 -0.00388 0.00000 0.00000 0.00293 144 4ZZ 0.01304 0.00461 0.00000 0.00000 0.01774 145 4XY 0.00000 0.00000 0.01652 0.01811 0.00000 146 4XZ 0.00785 0.00305 0.00000 0.00000 -0.00392 147 4YZ 0.00000 0.00000 -0.00762 0.01714 0.00000 148 16 C 1S 0.01689 0.00694 -0.01729 -0.03094 -0.00027 149 2S -0.03769 -0.01690 0.03518 0.07034 0.00351 150 2PX 0.11954 0.02816 -0.05553 0.07431 0.12388 151 2PY -0.23107 -0.11831 -0.00832 0.00353 0.18252 152 2PZ -0.09962 -0.03292 0.08250 0.04468 -0.12769 153 3S -0.05887 -0.02340 0.07144 0.10610 0.00158 154 3PX 0.05941 0.01762 -0.05556 -0.00859 0.08671 155 3PY -0.05968 -0.02882 0.01932 0.05217 0.05865 156 3PZ -0.04602 -0.00577 0.03759 -0.01250 -0.08090 157 4XX 0.01016 0.00358 -0.00612 0.00543 0.00040 158 4YY -0.00909 -0.00439 -0.00395 -0.01151 0.00544 159 4ZZ 0.00694 0.00473 0.00789 0.00274 -0.00897 160 4XY 0.00675 0.00170 0.00604 0.00330 0.00188 161 4XZ 0.00732 0.00269 0.00251 0.00900 -0.00648 162 4YZ 0.00406 0.00261 -0.00412 0.00351 -0.00620 163 17 H 1S -0.05864 -0.02633 0.00001 0.00000 -0.10328 164 2S -0.06677 -0.02973 0.00001 0.00000 -0.09892 165 18 H 1S 0.05619 0.02390 -0.00001 0.00000 0.12007 166 2S 0.05455 0.01111 -0.00001 0.00000 0.15195 167 19 O 1S 0.03751 0.01425 0.01760 0.03612 -0.01841 168 2S -0.07463 -0.02608 -0.03963 -0.07271 0.03595 169 2PX -0.04361 -0.02397 -0.17541 -0.06751 0.13864 170 2PY 0.20893 0.08341 0.09709 0.41169 -0.10602 171 2PZ -0.11686 -0.03174 0.20956 -0.03324 -0.09790 172 3S -0.17861 -0.07433 -0.06341 -0.13344 0.08452 173 3PX -0.02996 -0.01452 -0.12786 -0.04962 0.09599 174 3PY 0.12845 0.05036 0.06183 0.27482 -0.06919 175 3PZ -0.07702 -0.02160 0.13955 -0.02377 -0.06030 176 4XX -0.00403 -0.00040 0.00513 -0.00060 -0.01004 177 4YY 0.01542 0.00641 0.00348 0.02029 -0.00698 178 4ZZ 0.00532 0.00242 -0.00345 -0.00181 0.00747 179 4XY -0.00010 0.00003 -0.00861 -0.00813 0.00211 180 4XZ 0.00067 0.00041 -0.00243 0.00199 0.00135 181 4YZ -0.00249 0.00081 0.00771 -0.00315 -0.00640 182 20 H 1S -0.02004 -0.07977 -0.11097 0.05664 -0.05819 183 2S -0.02532 -0.07538 -0.09566 0.05377 -0.06180 184 21 H 1S -0.02004 -0.07969 0.11101 -0.05666 -0.05825 185 2S -0.02532 -0.07531 0.09569 -0.05378 -0.06185 186 22 H 1S 0.10333 0.05197 0.00693 -0.00527 -0.04078 187 2S 0.09582 0.05555 0.01354 0.00959 -0.05589 188 23 H 1S 0.10332 0.05196 -0.00696 0.00528 -0.04079 189 2S 0.09582 0.05554 -0.01357 -0.00958 -0.05590 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 -0.00476 0.00273 0.00196 -0.01120 0.00590 2 2S 0.00544 -0.01589 -0.00790 0.02348 -0.01967 3 2PX -0.04993 -0.14856 -0.00080 -0.19343 0.11957 4 2PY -0.00449 -0.01654 0.21061 -0.00890 -0.02875 5 2PZ -0.05529 -0.12126 0.02507 0.20518 -0.15109 6 3S 0.04962 0.07021 0.00322 0.05553 0.04886 7 3PX -0.00355 -0.02662 0.00320 -0.12749 0.12075 8 3PY -0.02037 -0.04051 0.07793 0.00527 -0.07359 9 3PZ -0.00507 -0.00321 0.02233 0.13575 -0.09139 10 4XX 0.00022 -0.00152 0.00351 -0.00665 0.01019 11 4YY -0.00207 -0.00040 -0.00856 0.00362 -0.00345 12 4ZZ 0.00243 0.00732 0.00764 0.00066 -0.00537 13 4XY -0.00501 -0.01190 -0.00292 0.00789 0.00667 14 4XZ 0.00311 0.00451 0.00649 -0.00104 0.00071 15 4YZ -0.00530 -0.00993 -0.00311 -0.00356 -0.01174 16 2 C 1S -0.01043 0.00118 -0.00072 0.01248 -0.01316 17 2S 0.02696 0.00313 0.00765 -0.02322 0.02808 18 2PX 0.08862 0.10023 -0.06202 -0.12501 0.25643 19 2PY -0.05356 -0.02359 -0.18181 0.07743 -0.08082 20 2PZ 0.10175 0.23178 0.05569 0.04045 -0.16000 21 3S 0.02197 -0.05079 -0.02049 -0.06292 0.04144 22 3PX 0.04269 0.04286 -0.02755 -0.07268 0.19394 23 3PY -0.01134 0.02968 -0.04898 0.05954 -0.02274 24 3PZ 0.03863 0.09630 0.02298 0.03569 -0.14707 25 4XX -0.00065 -0.00141 0.00777 0.01108 -0.00722 26 4YY -0.00225 -0.00268 -0.02072 0.00379 -0.00184 27 4ZZ 0.00156 0.00579 0.00930 -0.01078 0.00812 28 4XY -0.00278 -0.00455 -0.00177 0.00378 -0.00203 29 4XZ 0.00614 -0.00381 0.00470 -0.00194 -0.00293 30 4YZ -0.00327 -0.00689 0.00267 -0.00447 0.00138 31 3 C 1S -0.01000 -0.00302 0.00649 0.00204 -0.00751 32 2S 0.02398 0.00983 -0.01911 -0.00732 0.00931 33 2PX 0.14174 -0.16972 0.00768 0.05503 -0.07888 34 2PY 0.01368 0.01053 0.27372 -0.09271 -0.01319 35 2PZ -0.17318 -0.18132 -0.03430 0.01722 0.03516 36 3S 0.05249 0.02785 -0.00793 -0.01555 0.09904 37 3PX 0.07490 -0.08644 0.00326 0.01733 -0.04011 38 3PY 0.01211 -0.00208 0.13290 -0.06111 -0.01253 39 3PZ -0.06069 -0.11416 -0.03278 -0.01015 0.01889 40 4XX -0.00131 -0.00940 0.00761 0.00246 -0.00619 41 4YY -0.00038 0.00083 -0.01219 0.00278 -0.00399 42 4ZZ -0.00065 0.00559 0.00678 -0.00717 0.00915 43 4XY 0.00981 -0.01125 0.00068 -0.00033 -0.00312 44 4XZ 0.00982 -0.00252 0.00308 0.00570 -0.01276 45 4YZ -0.01006 -0.01132 0.00382 -0.00204 0.00325 46 4 C 1S 0.00999 0.00302 0.00649 0.00204 0.00753 47 2S -0.02397 -0.00985 -0.01910 -0.00731 -0.00935 48 2PX -0.14176 0.16976 0.00743 0.05504 0.07889 49 2PY 0.01372 0.01022 -0.27372 0.09271 -0.01323 50 2PZ 0.17318 0.18128 -0.03449 0.01722 -0.03512 51 3S -0.05250 -0.02785 -0.00791 -0.01557 -0.09910 52 3PX -0.07492 0.08648 0.00314 0.01734 0.04012 53 3PY 0.01214 -0.00224 -0.13289 0.06110 -0.01256 54 3PZ 0.06069 0.11412 -0.03290 -0.01011 -0.01886 55 4XX 0.00129 0.00941 0.00760 0.00247 0.00621 56 4YY 0.00039 -0.00084 -0.01218 0.00278 0.00398 57 4ZZ 0.00066 -0.00559 0.00679 -0.00717 -0.00915 58 4XY 0.00981 -0.01125 -0.00066 0.00033 -0.00312 59 4XZ -0.00982 0.00251 0.00308 0.00570 0.01275 60 4YZ -0.01006 -0.01132 -0.00382 0.00204 0.00325 61 5 C 1S 0.01043 -0.00118 -0.00072 0.01248 0.01316 62 2S -0.02695 -0.00313 0.00765 -0.02321 -0.02810 63 2PX -0.08863 -0.10030 -0.06192 -0.12503 -0.25640 64 2PY -0.05356 -0.02337 0.18182 -0.07743 -0.08080 65 2PZ -0.10171 -0.23175 0.05593 0.04047 0.15997 66 3S -0.02194 0.05075 -0.02050 -0.06287 -0.04139 67 3PX -0.04269 -0.04289 -0.02754 -0.07270 -0.19393 68 3PY -0.01133 0.02975 0.04896 -0.05952 -0.02269 69 3PZ -0.03861 -0.09628 0.02308 0.03571 0.14702 70 4XX 0.00064 0.00142 0.00777 0.01107 0.00724 71 4YY 0.00226 0.00267 -0.02073 0.00379 0.00184 72 4ZZ -0.00156 -0.00578 0.00930 -0.01078 -0.00813 73 4XY -0.00278 -0.00455 0.00177 -0.00378 -0.00203 74 4XZ -0.00614 0.00381 0.00469 -0.00194 0.00293 75 4YZ -0.00326 -0.00689 -0.00267 0.00447 0.00138 76 6 C 1S 0.00476 -0.00272 0.00196 -0.01120 -0.00590 77 2S -0.00545 0.01588 -0.00791 0.02347 0.01965 78 2PX 0.04989 0.14857 -0.00097 -0.19344 -0.11975 79 2PY -0.00447 -0.01678 -0.21060 0.00891 -0.02878 80 2PZ 0.05529 0.12128 0.02494 0.20519 0.15122 81 3S -0.04963 -0.07020 0.00325 0.05550 -0.04889 82 3PX 0.00353 0.02662 0.00315 -0.12751 -0.12091 83 3PY -0.02035 -0.04059 -0.07790 -0.00527 -0.07359 84 3PZ 0.00506 0.00322 0.02231 0.13575 0.09148 85 4XX -0.00023 0.00152 0.00351 -0.00666 -0.01018 86 4YY 0.00208 0.00040 -0.00856 0.00363 0.00345 87 4ZZ -0.00243 -0.00732 0.00764 0.00066 0.00536 88 4XY -0.00501 -0.01190 0.00293 -0.00789 0.00667 89 4XZ -0.00311 -0.00451 0.00650 -0.00105 -0.00071 90 4YZ -0.00530 -0.00992 0.00311 0.00356 -0.01174 91 7 H 1S 0.05628 0.12074 0.06924 -0.02891 0.02584 92 2S 0.06642 0.15115 0.08106 -0.03231 0.05062 93 8 H 1S -0.02691 -0.02568 -0.15224 0.03721 -0.02189 94 2S -0.04163 -0.03578 -0.16878 0.04308 -0.05195 95 9 H 1S 0.06147 -0.13917 0.06461 0.01832 -0.06720 96 2S 0.01781 -0.12493 0.06750 0.04701 -0.11832 97 10 H 1S -0.06154 0.13921 0.06442 0.01833 0.06724 98 2S -0.01786 0.12497 0.06731 0.04702 0.11835 99 11 H 1S 0.02694 0.02554 -0.15225 0.03722 0.02187 100 2S 0.04166 0.03563 -0.16880 0.04309 0.05192 101 12 H 1S -0.05628 -0.12068 0.06934 -0.02891 -0.02584 102 2S -0.06642 -0.15108 0.08118 -0.03231 -0.05061 103 13 C 1S 0.00393 -0.00532 -0.00345 -0.01309 0.00046 104 2S -0.01436 0.00844 0.00539 0.03296 -0.00360 105 2PX 0.06826 -0.04154 -0.04072 -0.03638 -0.07545 106 2PY -0.02131 0.01544 0.07045 0.02276 -0.01348 107 2PZ -0.03286 0.00484 0.01754 -0.00900 0.10149 108 3S 0.03894 0.03292 0.01008 0.03756 -0.00171 109 3PX 0.06157 -0.01583 -0.02907 -0.01483 -0.08060 110 3PY -0.04199 0.00393 0.02060 0.01828 0.01807 111 3PZ -0.00484 0.02487 0.01761 0.00808 0.07069 112 4XX 0.01180 -0.00671 -0.00323 -0.01368 0.00968 113 4YY -0.00250 0.00149 -0.00236 0.00225 -0.00211 114 4ZZ -0.00724 0.00411 0.00537 0.00947 -0.00515 115 4XY 0.00318 -0.00175 0.00108 -0.00084 -0.00516 116 4XZ -0.00161 -0.00017 0.00258 0.00409 -0.00505 117 4YZ -0.00352 0.00072 -0.00251 -0.00145 0.00740 118 14 O 1S 0.00440 -0.00152 0.00622 0.00387 -0.00232 119 2S -0.00431 0.00462 -0.01234 -0.00699 0.00183 120 2PX 0.17413 -0.06329 -0.06112 -0.10721 0.07196 121 2PY -0.09835 0.05452 -0.03248 -0.00043 -0.00159 122 2PZ -0.24695 0.11980 0.06053 0.16849 -0.07474 123 3S -0.03609 -0.00561 -0.02748 -0.02268 0.02597 124 3PX 0.13311 -0.04313 -0.04358 -0.07749 0.06062 125 3PY -0.06159 0.03943 -0.02186 0.00021 -0.00652 126 3PZ -0.16746 0.08429 0.04199 0.12561 -0.06623 127 4XX -0.00450 0.00313 0.00401 0.00662 0.00115 128 4YY 0.00626 -0.00197 0.00166 0.00057 -0.00071 129 4ZZ 0.00321 -0.00022 -0.00221 -0.00374 -0.00434 130 4XY -0.00615 0.00148 0.00085 0.00285 -0.00245 131 4XZ 0.00109 -0.00037 -0.00081 -0.00131 -0.00043 132 4YZ 0.01005 -0.00528 -0.00311 -0.00633 0.00288 133 15 C 1S 0.00000 0.00000 -0.00483 -0.00071 0.00000 134 2S 0.00000 0.00001 0.01383 0.00372 0.00001 135 2PX 0.00000 0.00002 0.03289 0.07150 -0.00005 136 2PY 0.01507 0.00163 0.00000 0.00001 -0.00731 137 2PZ 0.00000 -0.00006 -0.08194 -0.11323 0.00002 138 3S 0.00000 0.00001 0.01435 0.00062 0.00002 139 3PX 0.00000 0.00000 0.00510 0.00276 -0.00001 140 3PY -0.01075 0.00629 0.00000 0.00000 -0.01242 141 3PZ 0.00001 -0.00002 -0.02067 -0.01324 -0.00004 142 4XX 0.00000 0.00001 0.00861 0.01578 -0.00001 143 4YY 0.00000 0.00000 0.00007 0.00386 0.00000 144 4ZZ 0.00000 0.00000 -0.00936 -0.02004 0.00001 145 4XY 0.00912 -0.00346 0.00000 0.00000 0.00582 146 4XZ 0.00000 0.00000 0.00054 -0.00058 0.00000 147 4YZ -0.01719 0.00728 0.00000 0.00000 -0.00599 148 16 C 1S -0.00394 0.00531 -0.00346 -0.01309 -0.00047 149 2S 0.01437 -0.00844 0.00540 0.03296 0.00362 150 2PX -0.06828 0.04149 -0.04075 -0.03638 0.07519 151 2PY -0.02132 0.01536 -0.07047 -0.02275 -0.01357 152 2PZ 0.03287 -0.00483 0.01753 -0.00901 -0.10128 153 3S -0.03894 -0.03291 0.01008 0.03755 0.00184 154 3PX -0.06158 0.01580 -0.02908 -0.01481 0.08045 155 3PY -0.04199 0.00391 -0.02062 -0.01828 0.01799 156 3PZ 0.00484 -0.02485 0.01762 0.00808 -0.07054 157 4XX -0.01180 0.00671 -0.00324 -0.01368 -0.00966 158 4YY 0.00250 -0.00149 -0.00236 0.00225 0.00210 159 4ZZ 0.00724 -0.00410 0.00537 0.00947 0.00514 160 4XY 0.00318 -0.00175 -0.00108 0.00084 -0.00517 161 4XZ 0.00162 0.00018 0.00258 0.00409 0.00504 162 4YZ -0.00352 0.00072 0.00251 0.00145 0.00742 163 17 H 1S 0.00000 0.00003 0.04716 0.08539 -0.00006 164 2S 0.00000 0.00003 0.05042 0.11070 -0.00010 165 18 H 1S 0.00000 -0.00004 -0.05915 -0.10844 0.00006 166 2S -0.00001 -0.00004 -0.07280 -0.14171 0.00012 167 19 O 1S -0.00440 0.00153 0.00621 0.00387 0.00233 168 2S 0.00431 -0.00464 -0.01234 -0.00699 -0.00184 169 2PX -0.17415 0.06323 -0.06117 -0.10719 -0.07169 170 2PY -0.09841 0.05459 0.03244 0.00040 -0.00157 171 2PZ 0.24695 -0.11972 0.06063 0.16846 0.07444 172 3S 0.03610 0.00556 -0.02749 -0.02268 -0.02606 173 3PX -0.13312 0.04308 -0.04362 -0.07747 -0.06040 174 3PY -0.06162 0.03947 0.02183 -0.00023 -0.00652 175 3PZ 0.16746 -0.08423 0.04206 0.12559 0.06599 176 4XX 0.00451 -0.00313 0.00401 0.00662 -0.00115 177 4YY -0.00626 0.00197 0.00166 0.00057 0.00071 178 4ZZ -0.00321 0.00022 -0.00221 -0.00374 0.00435 179 4XY -0.00615 0.00148 -0.00085 -0.00285 -0.00244 180 4XZ -0.00110 0.00036 -0.00081 -0.00131 0.00043 181 4YZ 0.01005 -0.00528 0.00312 0.00633 0.00287 182 20 H 1S 0.14061 0.00342 0.03765 -0.04876 -0.08655 183 2S 0.14961 -0.00224 0.04298 -0.04234 -0.10177 184 21 H 1S -0.14062 -0.00333 0.03757 -0.04875 0.08658 185 2S -0.14962 0.00234 0.04290 -0.04231 0.10184 186 22 H 1S -0.01308 0.01730 0.03246 0.04364 -0.06509 187 2S -0.00240 0.01917 0.03077 0.03396 -0.07002 188 23 H 1S 0.01308 -0.01726 0.03247 0.04364 0.06507 189 2S 0.00241 -0.01912 0.03077 0.03395 0.06996 41 42 43 44 45 O V V V V Eigenvalues -- -0.18560 -0.00699 0.01019 0.08379 0.11233 1 1 C 1S -0.00195 0.00460 -0.00663 0.02285 -0.02044 2 2S 0.00984 -0.00464 0.01376 -0.05094 0.02313 3 2PX 0.15355 -0.12053 -0.20335 0.03991 -0.07623 4 2PY -0.02331 0.03532 0.00584 -0.03603 0.05712 5 2PZ -0.11264 0.10322 0.15773 0.02659 -0.09752 6 3S 0.02464 -0.03353 -0.00387 -0.24358 0.42065 7 3PX 0.12917 -0.17287 -0.30019 0.08827 -0.15508 8 3PY -0.00715 0.02152 0.06006 -0.06203 0.11730 9 3PZ -0.08409 0.15000 0.17042 0.09429 -0.19295 10 4XX -0.00252 0.01610 -0.00012 -0.00056 0.00123 11 4YY 0.00188 -0.00378 -0.00175 -0.00387 -0.00098 12 4ZZ 0.00268 -0.00941 -0.00075 0.00528 -0.00295 13 4XY -0.00496 0.00829 -0.01075 -0.00494 0.00731 14 4XZ 0.00085 0.00539 -0.00099 0.00230 -0.00121 15 4YZ 0.00558 -0.01374 0.00905 -0.00596 0.00807 16 2 C 1S -0.00473 -0.02868 0.00882 0.02362 -0.04189 17 2S 0.02223 0.05165 -0.04385 -0.04894 0.06232 18 2PX -0.03691 0.29282 -0.00789 -0.00127 0.03384 19 2PY 0.00633 -0.09312 0.01684 -0.07482 0.08529 20 2PZ 0.02554 -0.18156 0.01180 0.00260 -0.01081 21 3S -0.04324 0.21357 0.08577 -0.26270 0.59800 22 3PX -0.01504 0.37271 -0.00152 0.00401 0.12821 23 3PY 0.03918 -0.10313 -0.02699 -0.16938 0.23973 24 3PZ 0.04465 -0.21537 0.03743 0.04878 0.06928 25 4XX -0.01126 0.00020 0.01993 -0.00062 -0.00327 26 4YY 0.00295 -0.00195 -0.00423 0.00824 -0.00910 27 4ZZ 0.00571 -0.00747 -0.01352 -0.00332 0.00293 28 4XY 0.00115 0.00500 -0.00005 0.00252 -0.00055 29 4XZ 0.00523 0.00384 -0.00879 -0.00656 -0.00084 30 4YZ 0.00006 -0.00467 0.00028 -0.00384 -0.00171 31 3 C 1S -0.01157 0.01411 0.01541 0.05243 0.00921 32 2S 0.02705 -0.02560 -0.03229 -0.07738 -0.00303 33 2PX -0.00744 0.01031 0.02049 -0.09419 -0.10188 34 2PY -0.00756 0.01787 -0.02728 -0.05154 -0.02532 35 2PZ -0.04300 0.02633 0.05412 -0.08098 0.00526 36 3S 0.03924 -0.12994 -0.14371 -0.73835 -0.26478 37 3PX -0.01337 0.01227 0.05387 -0.18145 -0.21144 38 3PY -0.00261 -0.01359 -0.04796 -0.19722 -0.15842 39 3PZ -0.03372 0.01991 0.04196 -0.16111 0.07278 40 4XX -0.00183 -0.00649 0.00244 0.01073 0.00045 41 4YY 0.00255 -0.00565 -0.00081 -0.00369 -0.00067 42 4ZZ -0.00267 0.01495 -0.00076 0.00228 -0.00187 43 4XY 0.00040 0.00587 0.00101 0.00322 0.00055 44 4XZ 0.00392 -0.01388 -0.00243 0.00026 0.00083 45 4YZ -0.00099 0.00202 0.00226 0.00681 -0.00837 46 4 C 1S -0.01156 0.01410 -0.01543 0.05242 0.00921 47 2S 0.02704 -0.02557 0.03233 -0.07738 -0.00303 48 2PX -0.00735 0.01028 -0.02052 -0.09420 -0.10191 49 2PY 0.00756 -0.01793 -0.02724 0.05153 0.02530 50 2PZ -0.04304 0.02624 -0.05414 -0.08094 0.00530 51 3S 0.03908 -0.12987 0.14387 -0.73823 -0.26479 52 3PX -0.01334 0.01219 -0.05390 -0.18145 -0.21143 53 3PY 0.00260 0.01346 -0.04797 0.19717 0.15830 54 3PZ -0.03374 0.01979 -0.04197 -0.16087 0.07303 55 4XX -0.00182 -0.00651 -0.00243 0.01073 0.00045 56 4YY 0.00255 -0.00565 0.00082 -0.00368 -0.00067 57 4ZZ -0.00268 0.01496 0.00074 0.00227 -0.00187 58 4XY -0.00040 -0.00587 0.00102 -0.00322 -0.00055 59 4XZ 0.00394 -0.01387 0.00245 0.00026 0.00083 60 4YZ 0.00100 -0.00202 0.00226 -0.00682 0.00837 61 5 C 1S -0.00471 -0.02868 -0.00878 0.02362 -0.04188 62 2S 0.02219 0.05170 0.04379 -0.04895 0.06230 63 2PX -0.03722 0.29285 0.00753 -0.00131 0.03376 64 2PY -0.00643 0.09313 0.01672 0.07479 -0.08531 65 2PZ 0.02574 -0.18159 -0.01156 0.00264 -0.01081 66 3S -0.04328 0.21337 -0.08600 -0.26256 0.59803 67 3PX -0.01531 0.37271 0.00101 0.00394 0.12807 68 3PY -0.03920 0.10307 -0.02712 0.16936 -0.23972 69 3PZ 0.04482 -0.21544 -0.03715 0.04885 0.06927 70 4XX -0.01125 0.00017 -0.01993 -0.00063 -0.00327 71 4YY 0.00295 -0.00194 0.00423 0.00824 -0.00911 72 4ZZ 0.00570 -0.00745 0.01353 -0.00331 0.00293 73 4XY -0.00115 -0.00501 -0.00004 -0.00251 0.00055 74 4XZ 0.00524 0.00385 0.00879 -0.00656 -0.00084 75 4YZ -0.00006 0.00467 0.00027 0.00384 0.00171 76 6 C 1S -0.00195 0.00460 0.00662 0.02285 -0.02043 77 2S 0.00987 -0.00466 -0.01375 -0.05096 0.02312 78 2PX 0.15338 -0.12031 0.20349 0.03998 -0.07618 79 2PY 0.02327 -0.03531 0.00586 0.03602 -0.05709 80 2PZ -0.11245 0.10306 -0.15786 0.02653 -0.09757 81 3S 0.02455 -0.03350 0.00392 -0.24368 0.42049 82 3PX 0.12899 -0.17255 0.30039 0.08835 -0.15503 83 3PY 0.00704 -0.02143 0.06006 0.06202 -0.11728 84 3PZ -0.08398 0.14983 -0.17062 0.09418 -0.19305 85 4XX -0.00253 0.01610 0.00009 -0.00056 0.00122 86 4YY 0.00188 -0.00378 0.00175 -0.00387 -0.00097 87 4ZZ 0.00269 -0.00941 0.00077 0.00528 -0.00295 88 4XY 0.00497 -0.00830 -0.01074 0.00493 -0.00732 89 4XZ 0.00085 0.00539 0.00099 0.00230 -0.00122 90 4YZ -0.00559 0.01375 0.00903 0.00596 -0.00807 91 7 H 1S -0.00339 0.02130 -0.01093 0.02993 -0.02732 92 2S -0.00394 0.06244 -0.06757 0.37818 -0.61038 93 8 H 1S 0.01302 -0.01335 -0.01335 0.02888 -0.02884 94 2S 0.00686 -0.05556 -0.01293 0.42894 -0.62079 95 9 H 1S 0.00218 -0.02834 0.00552 0.03639 0.00738 96 2S 0.02543 -0.04311 0.00654 0.67014 0.35020 97 10 H 1S 0.00228 -0.02837 -0.00547 0.03639 0.00740 98 2S 0.02562 -0.04313 -0.00645 0.66991 0.35020 99 11 H 1S 0.01304 -0.01334 0.01335 0.02888 -0.02885 100 2S 0.00692 -0.05553 0.01293 0.42886 -0.62076 101 12 H 1S -0.00342 0.02131 0.01090 0.02993 -0.02732 102 2S -0.00400 0.06251 0.06745 0.37819 -0.61035 103 13 C 1S 0.01561 0.01163 -0.05213 0.01390 -0.00959 104 2S -0.02637 -0.03776 0.11168 -0.04165 0.00095 105 2PX 0.21995 0.15853 -0.23742 0.01569 -0.06758 106 2PY -0.08632 -0.03378 0.07431 -0.03086 0.05607 107 2PZ -0.17703 -0.09894 0.20983 0.03479 -0.11988 108 3S -0.11585 0.00297 0.27490 -0.14095 0.29367 109 3PX 0.14330 0.20287 -0.31523 0.07931 -0.14860 110 3PY -0.07610 -0.00763 0.23624 -0.04996 0.12631 111 3PZ -0.13602 -0.07995 0.11713 0.10463 -0.27850 112 4XX -0.00837 0.00551 -0.00422 0.00188 0.00358 113 4YY 0.00091 -0.00097 -0.00407 -0.00079 -0.00558 114 4ZZ 0.01023 0.00183 -0.00641 0.00347 -0.00128 115 4XY -0.01162 -0.01369 -0.01143 -0.00153 0.00287 116 4XZ 0.00280 -0.01142 -0.00574 -0.00155 0.00413 117 4YZ 0.01258 0.01067 0.00815 -0.00259 0.01277 118 14 O 1S -0.00599 0.00575 0.01755 0.01155 -0.00909 119 2S 0.00548 -0.00827 -0.04327 -0.03193 0.00994 120 2PX -0.18577 -0.01604 0.12508 0.01590 -0.06027 121 2PY 0.02662 0.01482 0.01590 0.01248 -0.02725 122 2PZ 0.21705 0.08066 -0.08201 0.00359 -0.00481 123 3S 0.06526 -0.07385 -0.11186 -0.11297 0.12159 124 3PX -0.15616 -0.00513 0.10862 0.03680 -0.07011 125 3PY 0.01185 0.02618 0.00818 0.07041 -0.05144 126 3PZ 0.17788 0.09782 -0.09533 0.04667 0.02240 127 4XX -0.00410 -0.00186 0.01483 -0.00271 -0.00461 128 4YY -0.00348 0.00090 -0.00163 -0.00300 -0.00383 129 4ZZ -0.00104 0.00592 -0.00725 -0.00047 -0.00323 130 4XY 0.00705 -0.00053 -0.00326 -0.00059 -0.00353 131 4XZ 0.00027 -0.00120 0.00156 -0.01156 -0.00506 132 4YZ -0.00293 0.00122 0.00246 0.00326 0.00296 133 15 C 1S 0.00839 -0.00001 0.00000 0.05871 0.04879 134 2S -0.02049 -0.00328 0.00000 -0.10857 -0.07177 135 2PX 0.07239 0.00106 0.00000 -0.05294 -0.05267 136 2PY 0.00000 0.00003 0.06577 0.00003 -0.00003 137 2PZ -0.02596 0.02195 -0.00001 -0.19215 -0.16882 138 3S -0.04373 0.02257 -0.00002 -0.80835 -0.80860 139 3PX 0.01174 0.01859 -0.00001 -0.17740 -0.14499 140 3PY -0.00002 0.00007 0.11934 0.00009 -0.00008 141 3PZ 0.05639 0.04091 -0.00002 -0.48221 -0.43517 142 4XX 0.01838 0.00011 0.00000 0.01076 0.00338 143 4YY 0.00230 0.00338 0.00000 0.00118 -0.00217 144 4ZZ -0.01983 -0.00331 0.00000 0.00491 0.00638 145 4XY 0.00000 0.00001 0.01363 0.00000 0.00000 146 4XZ 0.00046 0.00053 0.00000 -0.00823 -0.00557 147 4YZ 0.00000 0.00000 -0.00627 0.00000 0.00000 148 16 C 1S 0.01561 0.01169 0.05212 0.01389 -0.00961 149 2S -0.02636 -0.03791 -0.11163 -0.04163 0.00100 150 2PX 0.22005 0.15884 0.23721 0.01564 -0.06763 151 2PY 0.08634 0.03389 0.07430 0.03085 -0.05608 152 2PZ -0.17716 -0.09922 -0.20971 0.03482 -0.11981 153 3S -0.11583 0.00268 -0.27487 -0.14090 0.29373 154 3PX 0.14342 0.20324 0.31496 0.07921 -0.14871 155 3PY 0.07614 0.00790 0.23624 0.04993 -0.12635 156 3PZ -0.13610 -0.08008 -0.11701 0.10460 -0.27845 157 4XX -0.00839 0.00552 0.00421 0.00188 0.00358 158 4YY 0.00092 -0.00096 0.00407 -0.00079 -0.00558 159 4ZZ 0.01024 0.00183 0.00641 0.00347 -0.00129 160 4XY 0.01161 0.01368 -0.01145 0.00154 -0.00287 161 4XZ 0.00281 -0.01141 0.00576 -0.00155 0.00413 162 4YZ -0.01257 -0.01066 0.00816 0.00258 -0.01277 163 17 H 1S 0.09038 0.00386 0.00000 0.03349 0.02901 164 2S 0.14833 0.00357 0.00000 0.46146 0.42986 165 18 H 1S -0.08858 -0.01615 0.00001 0.02914 0.04105 166 2S -0.16276 -0.08593 0.00006 0.84938 0.84399 167 19 O 1S -0.00598 0.00573 -0.01756 0.01154 -0.00907 168 2S 0.00548 -0.00821 0.04328 -0.03192 0.00991 169 2PX -0.18586 -0.01622 -0.12506 0.01592 -0.06026 170 2PY -0.02668 -0.01482 0.01591 -0.01248 0.02723 171 2PZ 0.21714 0.08078 0.08192 0.00359 -0.00485 172 3S 0.06521 -0.07373 0.11196 -0.11290 0.12139 173 3PX -0.15622 -0.00527 -0.10862 0.03683 -0.07011 174 3PY -0.01190 -0.02619 0.00820 -0.07040 0.05138 175 3PZ 0.17797 0.09795 0.09522 0.04664 0.02233 176 4XX -0.00410 -0.00188 -0.01483 -0.00271 -0.00460 177 4YY -0.00348 0.00090 0.00163 -0.00299 -0.00382 178 4ZZ -0.00103 0.00593 0.00724 -0.00047 -0.00323 179 4XY -0.00705 0.00053 -0.00326 0.00059 0.00354 180 4XZ 0.00027 -0.00120 -0.00156 -0.01156 -0.00506 181 4YZ 0.00294 -0.00122 0.00246 -0.00326 -0.00296 182 20 H 1S -0.01971 0.06087 -0.01288 0.01246 -0.01634 183 2S -0.04996 0.20033 -0.09843 0.34456 -0.17681 184 21 H 1S -0.01960 0.06087 0.01279 0.01248 -0.01631 185 2S -0.04984 0.20041 0.09812 0.34462 -0.17666 186 22 H 1S 0.00980 -0.02419 -0.06322 0.00918 -0.03358 187 2S 0.04013 -0.06006 -0.35370 0.28073 -0.60417 188 23 H 1S 0.00989 -0.02410 0.06325 0.00918 -0.03361 189 2S 0.04021 -0.05963 0.35374 0.28065 -0.60426 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 0.01474 -0.01360 -0.03538 -0.01151 0.01725 2 2S -0.02934 0.03733 0.05278 0.02269 -0.04593 3 2PX 0.20624 -0.06469 -0.03768 -0.04253 -0.01097 4 2PY 0.01529 -0.01194 0.04995 0.01762 -0.02899 5 2PZ -0.17826 0.06539 -0.10370 0.00503 0.07780 6 3S -0.08453 0.07911 0.54895 0.13713 -0.28582 7 3PX 0.36938 -0.17388 -0.09485 -0.06048 0.04032 8 3PY -0.00951 0.03687 0.19838 0.03516 -0.12838 9 3PZ -0.25870 0.09363 -0.21281 -0.02184 0.10557 10 4XX -0.00909 0.00561 -0.00675 -0.00169 0.00609 11 4YY 0.00703 -0.00489 0.00456 0.00139 -0.00422 12 4ZZ 0.00669 -0.00222 -0.00541 -0.00081 -0.00410 13 4XY 0.00974 -0.00308 0.00607 0.00813 -0.00192 14 4XZ -0.00164 0.00399 -0.00393 -0.00211 -0.00252 15 4YZ -0.00498 0.00072 0.00977 -0.00140 -0.00318 16 2 C 1S 0.01241 -0.01041 0.00410 -0.00801 -0.01006 17 2S -0.02185 0.01815 -0.01712 0.02439 0.01470 18 2PX -0.20660 0.13139 -0.04536 0.02646 0.03321 19 2PY 0.06479 -0.07482 0.06422 0.02516 -0.00247 20 2PZ 0.09826 -0.06765 -0.02079 -0.02585 0.01728 21 3S -0.13111 0.09176 -0.00567 0.04199 0.14327 22 3PX -0.26557 0.25661 -0.07977 0.11191 -0.05442 23 3PY 0.13959 -0.21287 0.13896 0.09381 0.01958 24 3PZ 0.14774 -0.00938 0.04900 -0.18968 -0.00190 25 4XX -0.00752 0.00134 0.00519 -0.00037 -0.00387 26 4YY -0.00256 0.00269 -0.00866 -0.00709 0.00507 27 4ZZ 0.01374 -0.00790 0.00162 0.00656 -0.00245 28 4XY -0.00785 0.00711 -0.01061 0.00574 -0.00282 29 4XZ -0.00242 0.00429 0.00485 0.00070 0.00048 30 4YZ 0.00725 -0.00382 -0.00072 -0.00433 0.00346 31 3 C 1S 0.00823 0.02090 0.01862 -0.03955 -0.00565 32 2S -0.00741 -0.00502 -0.01714 0.04340 0.00174 33 2PX -0.04543 -0.02586 0.11935 -0.11347 0.09431 34 2PY 0.05816 -0.05308 -0.02554 0.06760 0.01918 35 2PZ -0.02591 -0.01236 -0.14049 0.08816 0.01757 36 3S -0.13040 -0.44902 -0.39915 0.70594 0.14613 37 3PX -0.14963 -0.08404 0.34191 -0.30790 0.28079 38 3PY 0.15462 -0.10130 -0.13646 0.19188 0.03920 39 3PZ -0.04652 0.01089 -0.36406 0.20457 0.03944 40 4XX 0.00359 0.00007 0.00593 -0.00341 -0.00483 41 4YY 0.00718 -0.00134 0.00096 -0.00205 -0.00170 42 4ZZ -0.00924 0.00874 -0.00224 -0.00287 0.00399 43 4XY -0.00507 0.00117 -0.01140 0.00253 -0.00577 44 4XZ 0.00817 -0.00747 -0.01276 -0.00043 0.00028 45 4YZ -0.00192 0.00065 0.00398 -0.00403 -0.00053 46 4 C 1S -0.00827 -0.02072 0.01879 -0.03953 -0.00565 47 2S 0.00746 0.00486 -0.01718 0.04339 0.00173 48 2PX 0.04513 0.02699 0.11912 -0.11347 0.09430 49 2PY 0.05812 -0.05285 0.02622 -0.06771 -0.01921 50 2PZ 0.02617 0.01108 -0.14057 0.08818 0.01755 51 3S 0.13118 0.44537 -0.40281 0.70578 0.14629 52 3PX 0.14882 0.08721 0.34111 -0.30783 0.28076 53 3PY 0.15439 -0.10004 0.13794 -0.19212 -0.03921 54 3PZ 0.04730 -0.01427 -0.36402 0.20476 0.03926 55 4XX -0.00361 -0.00001 0.00592 -0.00341 -0.00483 56 4YY -0.00718 0.00134 0.00093 -0.00205 -0.00170 57 4ZZ 0.00924 -0.00877 -0.00214 -0.00287 0.00398 58 4XY -0.00509 0.00127 0.01138 -0.00253 0.00577 59 4XZ -0.00815 0.00735 -0.01284 -0.00043 0.00029 60 4YZ -0.00191 0.00062 -0.00399 0.00403 0.00053 61 5 C 1S -0.01242 0.01044 0.00398 -0.00802 -0.01006 62 2S 0.02189 -0.01830 -0.01690 0.02438 0.01471 63 2PX 0.20670 -0.13180 -0.04378 0.02638 0.03313 64 2PY 0.06487 -0.07539 -0.06334 -0.02529 0.00241 65 2PZ -0.09821 0.06744 -0.02158 -0.02582 0.01733 66 3S 0.13123 -0.09175 -0.00476 0.04237 0.14326 67 3PX 0.26579 -0.25734 -0.07693 0.11182 -0.05457 68 3PY 0.13978 -0.21412 -0.13672 -0.09407 -0.01974 69 3PZ -0.14780 0.00981 0.04860 -0.18959 -0.00185 70 4XX 0.00750 -0.00129 0.00522 -0.00037 -0.00388 71 4YY 0.00258 -0.00277 -0.00863 -0.00710 0.00507 72 4ZZ -0.01373 0.00791 0.00152 0.00657 -0.00244 73 4XY -0.00787 0.00721 0.01052 -0.00574 0.00282 74 4XZ 0.00241 -0.00424 0.00489 0.00070 0.00048 75 4YZ 0.00725 -0.00381 0.00077 0.00432 -0.00346 76 6 C 1S -0.01468 0.01327 -0.03552 -0.01152 0.01726 77 2S 0.02923 -0.03684 0.05316 0.02270 -0.04594 78 2PX -0.20622 0.06436 -0.03868 -0.04249 -0.01089 79 2PY 0.01538 -0.01241 -0.04976 -0.01766 0.02897 80 2PZ 0.17845 -0.06636 -0.10276 0.00493 0.07772 81 3S 0.08363 -0.07404 0.54980 0.13740 -0.28578 82 3PX -0.36926 0.17302 -0.09714 -0.06049 0.04048 83 3PY -0.00915 0.03503 -0.19859 -0.03519 0.12842 84 3PZ 0.25905 -0.09556 -0.21141 -0.02213 0.10546 85 4XX 0.00911 -0.00567 -0.00668 -0.00170 0.00608 86 4YY -0.00705 0.00494 0.00451 0.00139 -0.00422 87 4ZZ -0.00669 0.00217 -0.00544 -0.00081 -0.00409 88 4XY 0.00975 -0.00313 -0.00602 -0.00814 0.00192 89 4XZ 0.00165 -0.00403 -0.00389 -0.00212 -0.00251 90 4YZ -0.00496 0.00063 -0.00978 0.00140 0.00319 91 7 H 1S 0.01559 0.00616 -0.05055 -0.02521 0.00283 92 2S 0.04296 -0.05045 -0.70985 -0.19427 0.35531 93 8 H 1S -0.01965 0.01709 -0.02662 -0.02466 0.01511 94 2S -0.09638 0.19837 -0.19922 -0.22067 -0.05295 95 9 H 1S 0.02406 -0.01424 -0.03242 0.00355 -0.02960 96 2S 0.18925 0.24106 -0.18630 -0.04942 -0.45204 97 10 H 1S -0.02401 0.01394 -0.03259 0.00355 -0.02959 98 2S -0.18877 -0.24279 -0.18434 -0.04942 -0.45200 99 11 H 1S 0.01970 -0.01733 -0.02641 -0.02470 0.01510 100 2S 0.09664 -0.20024 -0.19705 -0.22121 -0.05314 101 12 H 1S -0.01551 -0.00662 -0.05051 -0.02521 0.00285 102 2S -0.04180 0.04393 -0.71021 -0.19465 0.35529 103 13 C 1S -0.04793 0.00481 0.00427 0.02437 0.04023 104 2S 0.10828 -0.00062 -0.02711 -0.02956 -0.08337 105 2PX -0.06056 0.25291 0.06177 0.06638 -0.11901 106 2PY 0.09221 0.04984 -0.00989 -0.09777 -0.05144 107 2PZ 0.10910 -0.05681 0.08045 0.17972 -0.10593 108 3S 0.37760 -0.13609 -0.07228 -0.54042 -0.46715 109 3PX -0.18615 0.44285 0.14541 0.22754 -0.28776 110 3PY 0.15630 0.23134 -0.04479 -0.24368 -0.21881 111 3PZ -0.02125 -0.06989 0.19183 0.38939 -0.20630 112 4XX -0.00752 0.00241 -0.00623 0.00003 0.00835 113 4YY 0.00149 0.00781 -0.00053 0.00530 -0.01141 114 4ZZ -0.00679 -0.00145 0.00663 0.00097 0.00473 115 4XY 0.00014 0.01183 -0.00438 -0.01083 0.01372 116 4XZ -0.00119 -0.00911 -0.00755 0.00081 0.01366 117 4YZ 0.00255 -0.00017 -0.01330 -0.01507 0.01041 118 14 O 1S 0.04224 0.06544 0.01834 0.00218 -0.04983 119 2S -0.06942 -0.08854 -0.03239 -0.01869 0.07547 120 2PX -0.00199 -0.09419 0.07765 0.07937 -0.09374 121 2PY 0.07132 0.08584 0.04899 -0.00008 -0.07172 122 2PZ -0.07574 -0.04185 0.01120 0.03753 -0.10708 123 3S -0.44606 -0.81519 -0.23338 -0.00225 0.59802 124 3PX -0.05154 -0.13143 0.12619 0.14089 -0.12566 125 3PY 0.13398 0.21727 0.10534 0.02039 -0.15242 126 3PZ -0.13530 -0.06362 0.01459 0.05125 -0.19974 127 4XX 0.02418 0.02284 0.00570 -0.00588 -0.02160 128 4YY 0.00311 0.01306 -0.00006 -0.00294 -0.01109 129 4ZZ 0.01339 0.03608 0.00559 -0.00764 -0.01767 130 4XY 0.00078 -0.00035 0.00395 0.00725 0.00874 131 4XZ 0.00909 0.00779 -0.00541 -0.00309 -0.00242 132 4YZ 0.00294 0.00177 -0.00259 0.00064 -0.00283 133 15 C 1S 0.00003 0.00003 0.00923 0.05793 0.06459 134 2S -0.00001 -0.00017 -0.04202 -0.09731 -0.09101 135 2PX 0.00005 -0.00036 -0.09027 -0.07810 -0.24186 136 2PY 0.22824 0.34646 -0.00135 0.00001 -0.00001 137 2PZ -0.00003 0.00021 0.03439 0.03544 0.13725 138 3S -0.00044 -0.00015 -0.08884 -0.79181 -0.99101 139 3PX 0.00024 -0.00143 -0.33437 -0.13282 -0.61817 140 3PY 0.62495 0.88989 -0.00342 0.00000 -0.00003 141 3PZ -0.00007 0.00046 0.07124 0.07098 0.31588 142 4XX 0.00000 0.00002 0.00475 0.00394 0.01355 143 4YY 0.00000 0.00000 0.00130 0.00812 -0.00621 144 4ZZ 0.00001 -0.00001 -0.00352 0.00275 0.00523 145 4XY 0.01713 0.01392 -0.00005 0.00000 0.00000 146 4XZ 0.00001 -0.00002 -0.00444 0.00494 0.00598 147 4YZ 0.01048 0.02309 -0.00009 0.00000 0.00000 148 16 C 1S 0.04795 -0.00479 0.00442 0.02435 0.04020 149 2S -0.10826 0.00040 -0.02734 -0.02952 -0.08332 150 2PX 0.06037 -0.25230 0.06418 0.06632 -0.11908 151 2PY 0.09226 0.04987 0.00960 0.09771 0.05144 152 2PZ -0.10924 0.05750 0.07973 0.17975 -0.10592 153 3S -0.37780 0.13573 -0.07439 -0.54006 -0.46675 154 3PX 0.18572 -0.44147 0.14981 0.22738 -0.28795 155 3PY 0.15637 0.23159 0.04297 0.24363 0.21889 156 3PZ 0.02090 0.07158 0.19132 0.38933 -0.20639 157 4XX 0.00753 -0.00247 -0.00619 0.00002 0.00834 158 4YY -0.00150 -0.00781 -0.00046 0.00529 -0.01141 159 4ZZ 0.00678 0.00150 0.00663 0.00097 0.00472 160 4XY 0.00013 0.01187 0.00427 0.01083 -0.01372 161 4XZ 0.00122 0.00904 -0.00763 0.00082 0.01365 162 4YZ 0.00252 -0.00006 0.01331 0.01507 -0.01041 163 17 H 1S 0.00001 0.00005 0.01444 0.00763 0.07892 164 2S -0.00010 0.00185 0.46083 0.59982 1.41912 165 18 H 1S 0.00003 -0.00007 -0.01376 0.00902 0.02088 166 2S 0.00047 -0.00085 -0.15920 0.24446 -0.09559 167 19 O 1S -0.04230 -0.06526 0.01885 0.00217 -0.04984 168 2S 0.06951 0.08824 -0.03305 -0.01869 0.07547 169 2PX 0.00178 0.09491 0.07679 0.07939 -0.09372 170 2PY 0.07145 0.08538 -0.04962 0.00007 0.07173 171 2PZ 0.07570 0.04200 0.01096 0.03753 -0.10705 172 3S 0.44689 0.81294 -0.23989 -0.00217 0.59812 173 3PX 0.05123 0.13257 0.12510 0.14089 -0.12568 174 3PY 0.13426 0.21629 -0.10705 -0.02039 0.15247 175 3PZ 0.13526 0.06385 0.01425 0.05124 -0.19970 176 4XX -0.02421 -0.02278 0.00585 -0.00588 -0.02160 177 4YY -0.00312 -0.01306 0.00005 -0.00295 -0.01109 178 4ZZ -0.01341 -0.03602 0.00589 -0.00764 -0.01768 179 4XY 0.00078 -0.00038 -0.00394 -0.00725 -0.00875 180 4XZ -0.00908 -0.00784 -0.00536 -0.00310 -0.00242 181 4YZ 0.00293 0.00180 0.00258 -0.00064 0.00283 182 20 H 1S 0.04433 -0.03831 0.06367 -0.02407 0.01623 183 2S 0.19248 -0.20530 0.88366 -0.81927 0.17483 184 21 H 1S -0.04446 0.03890 0.06324 -0.02405 0.01626 185 2S -0.19440 0.21340 0.88145 -0.81910 0.17498 186 22 H 1S -0.04689 -0.03213 0.03829 0.05617 -0.00896 187 2S -0.41338 -0.11644 0.35416 0.94737 0.08396 188 23 H 1S 0.04683 0.03247 0.03809 0.05617 -0.00897 189 2S 0.41294 0.11928 0.35405 0.94710 0.08362 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 0.02424 0.01342 0.03540 -0.04226 0.05795 2 2S -0.03789 0.03153 -0.03290 0.06380 -0.07421 3 2PX 0.06622 0.07773 0.04044 0.02960 0.07377 4 2PY -0.06666 -0.04462 -0.08610 -0.01233 -0.06310 5 2PZ 0.06123 0.00044 0.03380 -0.05978 0.06877 6 3S -0.58867 -0.40584 -0.73680 0.58856 -0.87174 7 3PX 0.25314 0.05588 0.05154 -0.06338 0.24382 8 3PY 0.06283 -0.14054 -0.35770 0.05297 -0.20171 9 3PZ 0.23338 0.02438 0.02636 -0.27864 0.43100 10 4XX 0.00007 -0.00263 -0.00019 0.00112 0.00857 11 4YY -0.00806 0.00632 -0.00049 -0.01160 0.00477 12 4ZZ 0.00483 0.00783 0.00684 0.00000 0.00218 13 4XY 0.00075 -0.00554 -0.00138 0.00028 0.00198 14 4XZ -0.00005 0.00677 0.00325 0.00108 0.00454 15 4YZ 0.00102 0.00217 0.00822 -0.00325 0.00261 16 2 C 1S 0.04504 -0.01273 -0.08276 0.00568 -0.01578 17 2S -0.06345 0.01532 0.09998 -0.03025 0.05214 18 2PX -0.07405 -0.05081 -0.02173 0.03494 0.00215 19 2PY -0.20027 0.00292 0.07366 -0.05771 -0.07587 20 2PZ 0.04235 0.03333 0.10838 0.03262 -0.03257 21 3S -0.86615 0.25127 1.44148 0.00759 -0.00376 22 3PX -0.12927 -0.09754 -0.09352 0.07811 -0.09257 23 3PY -0.60181 -0.06307 0.25369 -0.33141 -0.02686 24 3PZ 0.00887 0.04848 0.22297 0.36970 -0.04448 25 4XX 0.00488 0.00115 -0.00527 -0.00106 -0.00506 26 4YY 0.00187 0.00041 -0.00066 -0.00267 0.01113 27 4ZZ 0.00171 -0.00448 -0.01047 0.00257 -0.00737 28 4XY 0.00121 0.00341 -0.00076 0.00455 -0.00474 29 4XZ -0.00652 -0.00018 -0.00084 0.00032 -0.00377 30 4YZ -0.00442 0.00439 0.00510 0.01351 -0.00337 31 3 C 1S 0.00353 -0.00214 0.03764 0.11464 -0.00881 32 2S 0.02170 -0.01214 -0.03724 -0.09203 -0.00022 33 2PX -0.03251 -0.01434 0.09149 -0.00514 0.01488 34 2PY -0.07350 0.00883 -0.04077 0.04691 -0.09719 35 2PZ -0.05413 0.08230 0.06545 -0.10603 0.01340 36 3S -0.25097 0.12613 -0.62809 -2.23035 0.21045 37 3PX -0.11654 0.05133 0.31202 0.07391 0.16641 38 3PY 0.05571 0.03158 -0.28534 0.46153 -0.31944 39 3PZ -0.09330 0.16450 0.27479 -0.21917 -0.05669 40 4XX 0.00716 0.00076 -0.00269 0.00209 0.00103 41 4YY -0.00723 -0.00271 -0.00299 0.01886 -0.00931 42 4ZZ 0.00476 -0.00095 0.01230 0.00190 0.00650 43 4XY -0.00052 -0.00303 -0.01179 0.00046 0.00074 44 4XZ 0.00385 -0.00085 0.00567 -0.00039 0.00394 45 4YZ 0.00037 -0.00453 -0.01440 -0.00166 0.00248 46 4 C 1S -0.00351 -0.00213 0.03760 -0.11465 0.00883 47 2S -0.02171 -0.01217 -0.03721 0.09204 0.00019 48 2PX 0.03257 -0.01432 0.09150 0.00511 -0.01487 49 2PY -0.07348 -0.00882 0.04081 0.04686 -0.09715 50 2PZ 0.05401 0.08229 0.06548 0.10606 -0.01342 51 3S 0.25062 0.12599 -0.62728 2.23067 -0.21079 52 3PX 0.11668 0.05135 0.31208 -0.07406 -0.16636 53 3PY 0.05580 -0.03145 0.28560 0.46136 -0.31932 54 3PZ 0.09307 0.16436 0.27482 0.21923 0.05663 55 4XX -0.00716 0.00076 -0.00269 -0.00209 -0.00103 56 4YY 0.00723 -0.00271 -0.00301 -0.01886 0.00931 57 4ZZ -0.00476 -0.00095 0.01230 -0.00191 -0.00650 58 4XY -0.00052 0.00303 0.01179 0.00046 0.00074 59 4XZ -0.00385 -0.00085 0.00568 0.00039 -0.00394 60 4YZ 0.00037 0.00452 0.01439 -0.00167 0.00249 61 5 C 1S -0.04502 -0.01274 -0.08277 -0.00567 0.01577 62 2S 0.06343 0.01536 0.10001 0.03023 -0.05212 63 2PX 0.07401 -0.05073 -0.02172 -0.03491 -0.00217 64 2PY -0.20028 -0.00295 -0.07371 -0.05768 -0.07591 65 2PZ -0.04241 0.03330 0.10836 -0.03268 0.03257 66 3S 0.86595 0.25146 1.44160 -0.00799 0.00397 67 3PX 0.12912 -0.09736 -0.09350 -0.07814 0.09263 68 3PY -0.60183 0.06282 -0.25389 -0.33130 -0.02704 69 3PZ -0.00893 0.04848 0.22283 -0.36990 0.04459 70 4XX -0.00487 0.00114 -0.00528 0.00107 0.00506 71 4YY -0.00187 0.00042 -0.00065 0.00267 -0.01113 72 4ZZ -0.00171 -0.00449 -0.01047 -0.00256 0.00737 73 4XY 0.00122 -0.00341 0.00076 0.00455 -0.00474 74 4XZ 0.00652 -0.00018 -0.00084 -0.00032 0.00377 75 4YZ -0.00442 -0.00439 -0.00510 0.01351 -0.00338 76 6 C 1S -0.02426 0.01341 0.03540 0.04226 -0.05794 77 2S 0.03790 0.03153 -0.03291 -0.06382 0.07418 78 2PX -0.06625 0.07769 0.04042 -0.02960 -0.07377 79 2PY -0.06667 0.04460 0.08608 -0.01235 -0.06307 80 2PZ -0.06129 0.00047 0.03381 0.05977 -0.06876 81 3S 0.58897 -0.40559 -0.73678 -0.58844 0.87170 82 3PX -0.25317 0.05585 0.05157 0.06339 -0.24378 83 3PY 0.06279 0.14059 0.35773 0.05287 -0.20153 84 3PZ -0.23344 0.02449 0.02645 0.27870 -0.43095 85 4XX -0.00007 -0.00262 -0.00019 -0.00112 -0.00857 86 4YY 0.00806 0.00632 -0.00049 0.01160 -0.00477 87 4ZZ -0.00483 0.00783 0.00683 -0.00001 -0.00218 88 4XY 0.00076 0.00554 0.00138 0.00028 0.00198 89 4XZ 0.00005 0.00677 0.00325 -0.00108 -0.00453 90 4YZ 0.00102 -0.00218 -0.00822 -0.00325 0.00261 91 7 H 1S 0.00643 0.03754 0.01574 -0.00140 0.04622 92 2S 0.59118 0.33130 0.60684 -0.47291 1.01065 93 8 H 1S 0.02118 0.00172 -0.02368 -0.01787 0.04065 94 2S 1.13262 -0.02808 -0.85857 0.32463 0.14182 95 9 H 1S 0.02072 -0.01305 -0.03991 0.00289 0.00958 96 2S 0.26005 -0.16329 -0.16953 0.67482 0.00798 97 10 H 1S -0.02072 -0.01305 -0.03989 -0.00288 -0.00956 98 2S -0.25995 -0.16312 -0.16969 -0.67473 -0.00783 99 11 H 1S -0.02117 0.00172 -0.02367 0.01788 -0.04066 100 2S -1.13254 -0.02842 -0.85879 -0.32446 -0.14205 101 12 H 1S -0.00645 0.03753 0.01574 0.00140 -0.04622 102 2S -0.59150 0.33125 0.60685 0.47286 -1.01045 103 13 C 1S 0.03254 -0.05606 -0.00411 -0.01466 -0.06491 104 2S -0.03711 0.09084 0.01994 0.01500 0.09271 105 2PX -0.05906 0.06273 0.05490 -0.02287 0.02878 106 2PY -0.01605 0.12471 0.02484 -0.03174 0.01152 107 2PZ 0.13289 0.01305 0.08417 -0.07704 -0.20252 108 3S -0.64236 0.90715 -0.10956 0.25885 1.08633 109 3PX 0.00634 0.24253 0.12467 -0.14353 -0.17593 110 3PY 0.04388 0.44259 -0.09534 0.02067 0.01114 111 3PZ 0.45756 0.03560 0.16419 -0.30120 -0.68657 112 4XX 0.00607 -0.00893 -0.00391 -0.00026 -0.00873 113 4YY 0.00410 0.00892 -0.00009 -0.01066 -0.01365 114 4ZZ -0.00078 -0.00113 0.00303 0.00264 0.00178 115 4XY -0.00230 -0.00448 -0.00853 -0.00277 0.00030 116 4XZ 0.00459 -0.01416 -0.00531 -0.00129 -0.00699 117 4YZ 0.00612 -0.01154 -0.00978 -0.00384 -0.01064 118 14 O 1S 0.00159 0.05756 -0.00666 -0.01644 -0.01098 119 2S 0.00092 -0.07983 0.00193 0.00468 0.00175 120 2PX 0.01518 0.12680 0.05154 0.04746 0.02941 121 2PY -0.03310 0.10929 -0.03794 -0.04561 0.01505 122 2PZ -0.05339 0.05958 0.08770 0.00970 0.07347 123 3S -0.05081 -0.76985 0.12919 0.29199 0.22666 124 3PX 0.04409 0.28570 0.07356 0.02560 -0.00321 125 3PY -0.00794 0.23066 -0.10402 -0.08176 -0.04539 126 3PZ -0.07024 0.10991 0.13187 0.04111 0.11082 127 4XX 0.00041 0.01877 0.00121 -0.01400 -0.00845 128 4YY 0.00369 0.01341 -0.00496 -0.00846 -0.00864 129 4ZZ -0.00378 0.02486 -0.00496 -0.00871 0.00014 130 4XY -0.00258 -0.00366 0.00285 0.00136 0.00432 131 4XZ -0.00418 -0.00495 0.00568 -0.00708 0.00278 132 4YZ 0.00054 -0.00851 0.00259 0.00567 0.00325 133 15 C 1S -0.00002 -0.01528 0.03925 -0.00001 -0.00003 134 2S 0.00004 0.02414 -0.06069 0.00002 0.00005 135 2PX 0.00004 -0.32141 0.16687 -0.00005 -0.00005 136 2PY 0.00270 0.00003 -0.00002 -0.14840 -0.09949 137 2PZ -0.00002 0.03836 -0.04018 0.00002 -0.00001 138 3S 0.00032 -0.02683 -0.49150 0.00017 0.00043 139 3PX 0.00007 -0.87053 0.49208 -0.00019 -0.00019 140 3PY 0.00464 0.00006 -0.00004 -0.27944 -0.20322 141 3PZ -0.00004 0.03013 -0.04323 0.00006 -0.00007 142 4XX 0.00000 0.00021 -0.00486 0.00000 0.00000 143 4YY 0.00000 0.00357 0.01187 0.00000 -0.00001 144 4ZZ 0.00000 -0.00503 -0.00247 0.00000 0.00000 145 4XY -0.00082 0.00000 0.00000 -0.01056 -0.00500 146 4XZ 0.00000 -0.01428 0.00539 0.00000 -0.00001 147 4YZ -0.00493 0.00000 0.00000 -0.00687 0.00108 148 16 C 1S -0.03254 -0.05606 -0.00411 0.01466 0.06493 149 2S 0.03711 0.09081 0.01993 -0.01501 -0.09275 150 2PX 0.05902 0.06276 0.05492 0.02288 -0.02880 151 2PY -0.01604 -0.12470 -0.02487 -0.03175 0.01153 152 2PZ -0.13295 0.01296 0.08416 0.07702 0.20248 153 3S 0.64250 0.90726 -0.10959 -0.25880 -1.08653 154 3PX -0.00646 0.24257 0.12472 0.14353 0.17584 155 3PY 0.04391 -0.44252 0.09527 0.02056 0.01107 156 3PZ -0.45767 0.03540 0.16420 0.30119 0.68649 157 4XX -0.00607 -0.00893 -0.00391 0.00026 0.00874 158 4YY -0.00410 0.00892 -0.00009 0.01066 0.01365 159 4ZZ 0.00078 -0.00113 0.00303 -0.00264 -0.00179 160 4XY -0.00230 0.00448 0.00853 -0.00278 0.00029 161 4XZ -0.00459 -0.01416 -0.00530 0.00129 0.00699 162 4YZ 0.00612 0.01154 0.00978 -0.00383 -0.01065 163 17 H 1S 0.00000 0.01457 -0.03335 0.00001 0.00002 164 2S -0.00027 1.06610 -0.40321 0.00017 0.00001 165 18 H 1S 0.00000 -0.02509 -0.00110 -0.00001 0.00000 166 2S -0.00006 -0.41255 0.49971 -0.00024 -0.00023 167 19 O 1S -0.00159 0.05755 -0.00666 0.01644 0.01099 168 2S -0.00091 -0.07982 0.00192 -0.00468 -0.00176 169 2PX -0.01523 0.12681 0.05152 -0.04746 -0.02948 170 2PY -0.03313 -0.10929 0.03791 -0.04564 0.01498 171 2PZ 0.05335 0.05958 0.08772 -0.00973 -0.07355 172 3S 0.05080 -0.76974 0.12912 -0.29211 -0.22684 173 3PX -0.04420 0.28571 0.07354 -0.02559 0.00308 174 3PY -0.00798 -0.23065 0.10397 -0.08183 -0.04555 175 3PZ 0.07019 0.10990 0.13190 -0.04118 -0.11098 176 4XX -0.00041 0.01876 0.00122 0.01400 0.00845 177 4YY -0.00369 0.01340 -0.00496 0.00846 0.00865 178 4ZZ 0.00378 0.02486 -0.00495 0.00872 -0.00013 179 4XY -0.00258 0.00367 -0.00285 0.00136 0.00432 180 4XZ 0.00419 -0.00495 0.00568 0.00708 -0.00279 181 4YZ 0.00053 0.00850 -0.00258 0.00567 0.00325 182 20 H 1S 0.00952 -0.00343 -0.00525 -0.00688 -0.01237 183 2S -0.07263 -0.20793 0.31195 -0.87882 -0.19370 184 21 H 1S -0.00950 -0.00345 -0.00524 0.00689 0.01236 185 2S 0.07311 -0.20814 0.31224 0.87858 0.19387 186 22 H 1S -0.00142 -0.00535 0.04189 0.00119 -0.01946 187 2S 0.65959 -0.66002 0.32098 -0.36221 -1.14809 188 23 H 1S 0.00140 -0.00534 0.04189 -0.00119 0.01944 189 2S -0.65987 -0.66008 0.32096 0.36216 1.14816 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 0.00895 -0.05859 -0.01514 0.01036 0.00705 2 2S -0.03612 0.13603 0.05889 -0.00297 0.00099 3 2PX -0.01193 -0.02096 0.00010 0.04982 0.06857 4 2PY -0.01272 0.01852 0.02994 0.05777 -0.09815 5 2PZ 0.02809 -0.07636 0.02509 -0.01999 0.09172 6 3S -0.05598 0.42280 0.21050 -0.49247 -0.42171 7 3PX 0.04395 -0.39523 -0.03030 0.03090 0.24364 8 3PY -0.08864 0.33978 0.20748 0.27244 -0.33899 9 3PZ 0.05996 -0.60406 -0.09378 -0.10127 0.42494 10 4XX 0.00059 0.00135 0.00295 -0.00346 -0.00450 11 4YY -0.00388 -0.01272 0.00464 0.00663 0.01300 12 4ZZ 0.00042 0.00280 -0.00173 -0.00602 -0.00898 13 4XY 0.00419 -0.00326 -0.00700 0.00148 0.00905 14 4XZ -0.00138 0.00016 0.00314 -0.00591 -0.01241 15 4YZ 0.00224 -0.00691 -0.00326 -0.00123 -0.00232 16 2 C 1S -0.03044 0.05350 0.01362 0.01875 0.04416 17 2S 0.04311 -0.08636 -0.01752 -0.04385 -0.05050 18 2PX 0.01099 -0.00094 0.00262 -0.02473 -0.03680 19 2PY 0.05149 -0.10988 -0.09757 0.00697 0.18661 20 2PZ 0.01420 -0.00156 0.07717 -0.00994 -0.19011 21 3S 0.45728 -0.53135 -0.24710 -0.23584 -0.78748 22 3PX 0.11778 -0.07118 0.00421 -0.38244 -0.21671 23 3PY 0.24739 -0.72540 -0.46879 -0.09001 0.92182 24 3PZ 0.08120 0.08534 0.25189 -0.03591 -0.83996 25 4XX -0.00320 -0.00112 0.00295 0.00542 0.00220 26 4YY -0.00205 0.00461 -0.00280 -0.00545 -0.00022 27 4ZZ -0.00167 0.00894 0.00262 0.00162 0.00442 28 4XY 0.00206 0.00611 -0.00356 -0.01081 -0.00140 29 4XZ -0.00275 0.00724 0.00846 0.01199 0.00159 30 4YZ -0.00097 0.00099 0.00728 0.00210 -0.00510 31 3 C 1S 0.01300 -0.06055 -0.03012 -0.01385 -0.06151 32 2S -0.02075 0.09496 0.05545 0.02948 0.05134 33 2PX -0.03118 -0.01280 0.10595 0.29928 0.01809 34 2PY -0.00828 0.00090 0.06482 0.01540 0.07086 35 2PZ 0.03356 0.03290 0.07415 -0.13105 -0.09914 36 3S -0.24234 0.66927 0.47297 0.12307 1.28508 37 3PX -0.06002 0.05730 0.48528 1.18827 -0.09125 38 3PY -0.14197 0.13806 0.19291 0.13344 0.33055 39 3PZ 0.06362 0.24740 0.33314 -0.49921 -0.81758 40 4XX 0.00236 -0.00183 -0.01521 0.00180 0.01028 41 4YY -0.00335 -0.01049 0.00251 -0.00078 0.00189 42 4ZZ 0.00078 -0.00519 0.00889 -0.00327 -0.02398 43 4XY -0.00133 0.00160 -0.01773 0.00762 -0.00054 44 4XZ 0.00080 -0.00284 -0.00776 -0.00146 -0.01388 45 4YZ -0.00610 0.00323 -0.00291 -0.00409 0.01218 46 4 C 1S 0.01305 0.06055 -0.03013 0.01370 -0.06152 47 2S -0.02083 -0.09494 0.05544 -0.02941 0.05139 48 2PX -0.03123 0.01284 0.10550 -0.29933 0.01907 49 2PY 0.00833 0.00091 -0.06474 0.01522 -0.07110 50 2PZ 0.03355 -0.03292 0.07427 0.13073 -0.09951 51 3S -0.24285 -0.66918 0.47336 -0.11967 1.28496 52 3PX -0.06022 -0.05724 0.48350 -1.18931 -0.08749 53 3PY 0.14226 0.13803 -0.19238 0.13245 -0.33167 54 3PZ 0.06349 -0.24731 0.33368 0.49630 -0.81891 55 4XX 0.00236 0.00183 -0.01522 -0.00173 0.01027 56 4YY -0.00335 0.01049 0.00250 0.00078 0.00191 57 4ZZ 0.00079 0.00520 0.00890 0.00316 -0.02399 58 4XY 0.00133 0.00160 0.01774 0.00759 0.00052 59 4XZ 0.00081 0.00284 -0.00775 0.00143 -0.01389 60 4YZ 0.00610 0.00323 0.00290 -0.00412 -0.01216 61 5 C 1S -0.03049 -0.05348 0.01359 -0.01860 0.04421 62 2S 0.04320 0.08633 -0.01744 0.04369 -0.05062 63 2PX 0.01100 0.00091 0.00265 0.02466 -0.03688 64 2PY -0.05153 -0.10981 0.09756 0.00624 -0.18655 65 2PZ 0.01418 0.00155 0.07726 0.00922 -0.19018 66 3S 0.45771 0.53109 -0.24676 0.23307 -0.78827 67 3PX 0.11775 0.07095 0.00485 0.38184 -0.21808 68 3PY -0.24791 -0.72505 0.46857 -0.09378 -0.92121 69 3PZ 0.08101 -0.08546 0.25206 0.03281 -0.84013 70 4XX -0.00320 0.00112 0.00294 -0.00542 0.00222 71 4YY -0.00205 -0.00461 -0.00279 0.00545 -0.00024 72 4ZZ -0.00168 -0.00894 0.00262 -0.00160 0.00443 73 4XY -0.00206 0.00611 0.00354 -0.01081 0.00143 74 4XZ -0.00276 -0.00723 0.00844 -0.01200 0.00164 75 4YZ 0.00098 0.00099 -0.00728 0.00212 0.00508 76 6 C 1S 0.00902 0.05859 -0.01517 -0.01033 0.00708 77 2S -0.03626 -0.13600 0.05892 0.00287 0.00099 78 2PX -0.01190 0.02095 -0.00001 -0.04953 0.06879 79 2PY 0.01277 0.01848 -0.02987 0.05812 0.09794 80 2PZ 0.02818 0.07635 0.02506 0.02027 0.09178 81 3S -0.05668 -0.42274 0.21139 0.49106 -0.42343 82 3PX 0.04430 0.39522 -0.03051 -0.02987 0.24401 83 3PY 0.08901 0.33950 -0.20720 0.27374 0.33809 84 3PZ 0.06057 0.60399 -0.09394 0.10304 0.42498 85 4XX 0.00059 -0.00135 0.00295 0.00344 -0.00451 86 4YY -0.00387 0.01273 0.00462 -0.00660 0.01302 87 4ZZ 0.00042 -0.00281 -0.00172 0.00599 -0.00901 88 4XY -0.00419 -0.00326 0.00701 0.00144 -0.00905 89 4XZ -0.00138 -0.00016 0.00315 0.00586 -0.01242 90 4YZ -0.00224 -0.00691 0.00326 -0.00123 0.00233 91 7 H 1S -0.00960 -0.01867 0.01228 -0.02160 -0.03802 92 2S 0.17196 -1.03855 -0.22788 -0.05948 0.72413 93 8 H 1S -0.01806 0.06790 0.00168 -0.02134 -0.00961 94 2S -0.47550 1.09022 0.63490 0.17015 -0.74454 95 9 H 1S -0.00009 -0.02510 -0.12094 -0.03208 0.02497 96 2S 0.16785 -0.45043 -1.03063 -1.22591 -0.28890 97 10 H 1S -0.00004 0.02508 -0.12088 0.03237 0.02481 98 2S 0.16855 0.45019 -1.02875 1.22671 -0.29343 99 11 H 1S -0.01808 -0.06788 0.00174 0.02128 -0.00972 100 2S -0.47621 -1.08971 0.63468 -0.17330 -0.74397 101 12 H 1S -0.00956 0.01868 0.01231 0.02147 -0.03809 102 2S 0.17315 1.03833 -0.22821 0.06230 0.72442 103 13 C 1S 0.04178 -0.03038 -0.00031 -0.00397 -0.01075 104 2S -0.08462 0.07268 -0.02231 0.00836 0.01289 105 2PX -0.05171 0.00313 -0.02242 0.02254 -0.00391 106 2PY -0.12662 0.03620 -0.00698 0.02665 0.02170 107 2PZ -0.00530 -0.08505 -0.00848 0.03448 -0.02709 108 3S -0.53932 0.21778 0.07225 -0.01534 0.18160 109 3PX -0.08825 -0.10862 0.04749 -0.00902 -0.02849 110 3PY -0.20034 0.38282 0.05295 0.08090 0.06294 111 3PZ -0.03354 -0.37424 0.00283 0.06914 -0.00110 112 4XX 0.00132 -0.00559 -0.00473 -0.00671 -0.00381 113 4YY 0.00335 -0.00683 0.00172 0.00170 0.00111 114 4ZZ 0.00173 0.00096 0.00023 0.00121 0.00002 115 4XY 0.01155 0.00104 0.00284 0.00372 -0.00426 116 4XZ -0.00065 -0.00172 -0.00252 -0.00325 0.00118 117 4YZ 0.01108 -0.00490 0.00438 0.00103 0.00162 118 14 O 1S 0.03754 -0.00431 0.01618 0.00884 0.00526 119 2S -0.03957 -0.00493 -0.01841 -0.01049 -0.01017 120 2PX -0.15565 0.01293 -0.08246 -0.02224 -0.00963 121 2PY 0.22890 0.01092 0.09689 0.05033 0.02993 122 2PZ -0.14117 0.05276 0.06624 0.01945 0.02164 123 3S -0.57432 0.12563 -0.25932 -0.10871 -0.07835 124 3PX -0.29284 0.01063 -0.10252 -0.00054 -0.01008 125 3PY 0.49012 -0.05551 0.16628 0.03387 0.03134 126 3PZ -0.27037 0.08401 0.09310 -0.00123 0.04713 127 4XX 0.01434 -0.00336 0.00696 0.01039 0.00301 128 4YY 0.01413 -0.00251 0.01073 0.00269 0.00062 129 4ZZ 0.01612 -0.00485 -0.00057 0.00183 -0.00040 130 4XY -0.00568 0.00008 -0.00763 -0.00085 -0.00251 131 4XZ -0.01376 0.00553 -0.00621 0.00775 -0.00283 132 4YZ -0.00571 -0.00204 -0.00121 -0.00675 0.00219 133 15 C 1S -0.13287 0.00005 0.00658 0.00003 0.01037 134 2S 0.21013 -0.00009 0.02146 -0.00011 -0.03317 135 2PX -0.15658 0.00008 -0.02948 0.00014 0.03800 136 2PY 0.00007 0.00208 0.00011 0.12176 -0.00022 137 2PZ -0.15354 0.00003 -0.33515 0.00005 -0.14495 138 3S 1.81188 -0.00074 -0.42563 -0.00014 -0.21408 139 3PX -0.64697 0.00032 0.08748 0.00019 0.07370 140 3PY 0.00015 -0.15172 0.00015 0.09343 -0.00006 141 3PZ -0.60753 0.00015 -0.96026 0.00025 -0.35310 142 4XX 0.01719 -0.00001 -0.00420 -0.00001 -0.00520 143 4YY -0.03106 0.00001 -0.00884 0.00000 -0.00538 144 4ZZ 0.00854 0.00000 0.02074 -0.00001 0.00607 145 4XY 0.00001 0.00318 0.00001 0.01285 -0.00002 146 4XZ -0.02413 0.00001 -0.00910 0.00000 -0.00454 147 4YZ 0.00000 0.00101 0.00000 0.00586 -0.00001 148 16 C 1S 0.04177 0.03036 -0.00030 0.00393 -0.01075 149 2S -0.08465 -0.07264 -0.02232 -0.00829 0.01291 150 2PX -0.05172 -0.00310 -0.02247 -0.02250 -0.00381 151 2PY 0.12666 0.03612 0.00701 0.02655 -0.02181 152 2PZ -0.00530 0.08505 -0.00850 -0.03456 -0.02697 153 3S -0.53898 -0.21749 0.07216 0.01604 0.18138 154 3PX -0.08829 0.10866 0.04748 0.00882 -0.02841 155 3PY 0.20065 0.38262 -0.05279 0.08070 -0.06337 156 3PZ -0.03351 0.37431 0.00279 -0.06914 -0.00080 157 4XX 0.00132 0.00559 -0.00472 0.00671 -0.00384 158 4YY 0.00335 0.00683 0.00172 -0.00170 0.00112 159 4ZZ 0.00172 -0.00097 0.00022 -0.00121 0.00003 160 4XY -0.01155 0.00105 -0.00284 0.00374 0.00424 161 4XZ -0.00065 0.00173 -0.00251 0.00326 0.00117 162 4YZ -0.01108 -0.00489 -0.00438 0.00103 -0.00162 163 17 H 1S 0.05445 -0.00002 -0.02905 -0.00001 -0.01541 164 2S -0.30245 0.00004 -0.22059 -0.00012 -0.13187 165 18 H 1S 0.02872 0.00000 0.11738 -0.00002 0.04449 166 2S -0.41069 0.00028 1.47322 -0.00012 0.62710 167 19 O 1S 0.03753 0.00428 0.01617 -0.00886 0.00529 168 2S -0.03956 0.00497 -0.01838 0.01049 -0.01021 169 2PX -0.15563 -0.01284 -0.08246 0.02239 -0.00971 170 2PY -0.22884 0.01112 -0.09685 0.05047 -0.03011 171 2PZ -0.14123 -0.05266 0.06619 -0.01947 0.02173 172 3S -0.57418 -0.12509 -0.25914 0.10898 -0.07874 173 3PX -0.29282 -0.01047 -0.10256 0.00074 -0.01004 174 3PY -0.49004 -0.05509 -0.16627 0.03416 -0.03146 175 3PZ -0.27048 -0.08383 0.09305 0.00128 0.04718 176 4XX 0.01433 0.00335 0.00695 -0.01039 0.00304 177 4YY 0.01413 0.00250 0.01073 -0.00270 0.00063 178 4ZZ 0.01613 0.00484 -0.00058 -0.00183 -0.00039 179 4XY 0.00569 0.00008 0.00763 -0.00085 0.00252 180 4XZ -0.01377 -0.00552 -0.00621 -0.00775 -0.00279 181 4YZ 0.00570 -0.00204 0.00121 -0.00676 -0.00216 182 20 H 1S -0.00472 0.01119 0.03955 -0.02665 0.06595 183 2S -0.02473 0.52561 -0.10503 -1.20352 0.08528 184 21 H 1S -0.00472 -0.01118 0.03960 0.02678 0.06587 185 2S -0.02505 -0.52553 -0.10301 1.20395 0.08161 186 22 H 1S -0.03844 -0.01575 -0.00971 -0.00109 0.00208 187 2S 0.39783 -0.72278 -0.02309 0.03190 -0.19441 188 23 H 1S -0.03843 0.01578 -0.00971 0.00110 0.00208 189 2S 0.39787 0.72255 -0.02301 -0.03268 -0.19422 61 62 63 64 65 V V V V V Eigenvalues -- 0.24911 0.30439 0.31362 0.32662 0.37013 1 1 C 1S -0.00768 -0.04923 -0.06112 0.00227 -0.00127 2 2S 0.01973 0.05124 0.03523 0.00790 0.02213 3 2PX 0.06483 0.02945 0.10792 0.06932 0.02059 4 2PY -0.01807 -0.19973 0.04503 0.03378 0.03084 5 2PZ 0.15616 -0.04034 0.10445 -0.05971 0.00494 6 3S 0.13939 1.39914 1.97655 0.08215 -0.13833 7 3PX 0.35999 -0.00095 0.90354 0.13315 0.04289 8 3PY -0.17733 -1.37780 0.73304 -0.09872 0.22936 9 3PZ 0.57678 -0.29776 0.79060 0.00003 -0.03208 10 4XX 0.00610 0.00236 -0.01765 -0.01091 -0.00253 11 4YY -0.00103 -0.02469 0.00745 0.01043 0.00338 12 4ZZ -0.00483 0.01758 -0.00118 0.00623 0.00019 13 4XY 0.00241 -0.00355 -0.02268 0.00382 -0.00019 14 4XZ 0.00233 0.01439 -0.01146 0.00795 0.00113 15 4YZ 0.00641 0.00069 -0.02428 -0.00019 0.00159 16 2 C 1S 0.00503 -0.05454 0.04998 -0.01183 -0.00112 17 2S 0.01908 0.06378 -0.05075 0.01458 -0.03163 18 2PX 0.03118 -0.03920 0.16621 -0.08600 -0.01372 19 2PY -0.04676 -0.04797 0.13032 0.02967 0.00220 20 2PZ -0.03019 0.15542 0.17494 0.02968 0.00022 21 3S -0.41629 1.37331 -1.44347 0.20229 0.12335 22 3PX 0.26603 -0.06148 1.07021 0.07206 0.13151 23 3PY -0.13570 -0.13803 0.85987 0.07396 -0.14657 24 3PZ 0.13916 0.67870 1.01314 0.10927 0.14430 25 4XX 0.00287 -0.00927 0.01016 0.00493 0.00618 26 4YY -0.00720 0.02212 -0.00265 -0.00404 -0.00162 27 4ZZ 0.00576 -0.01851 -0.00221 -0.00470 -0.00847 28 4XY 0.01179 0.01094 0.01299 0.00593 -0.00777 29 4XZ 0.00619 -0.01087 0.00237 0.00062 0.00587 30 4YZ 0.01996 0.01502 0.01317 -0.00466 0.00688 31 3 C 1S 0.04245 0.02517 0.01174 0.00098 0.00753 32 2S -0.04860 -0.02438 -0.00762 -0.00883 0.00490 33 2PX 0.03235 0.14629 0.02902 -0.00402 -0.01001 34 2PY 0.32592 -0.14221 -0.07088 -0.06989 0.01890 35 2PZ 0.12548 0.20180 0.02870 0.00683 0.05848 36 3S -0.69504 -0.42775 -0.49244 -0.01365 -0.20467 37 3PX 0.14519 0.58970 -0.15309 -0.00258 -0.00978 38 3PY 1.37302 -0.47736 -0.29422 -0.28808 0.14405 39 3PZ 0.45297 0.90093 0.04773 0.03158 0.24742 40 4XX -0.01494 0.00163 -0.00573 0.00480 0.00054 41 4YY 0.02627 -0.00809 0.01242 -0.00498 0.00126 42 4ZZ -0.00597 0.01032 -0.00592 -0.00218 0.00275 43 4XY 0.00264 0.00241 0.00662 0.00051 -0.00135 44 4XZ -0.00094 0.01343 -0.00628 0.00208 -0.01221 45 4YZ 0.00510 0.00510 -0.02348 -0.00169 0.00199 46 4 C 1S -0.04249 -0.02515 0.01176 -0.00099 -0.00754 47 2S 0.04862 0.02439 -0.00763 0.00884 -0.00491 48 2PX -0.03246 -0.14627 0.02932 0.00403 0.00997 49 2PY 0.32590 -0.14204 0.07117 -0.06991 0.01891 50 2PZ -0.12548 -0.20178 0.02894 -0.00687 -0.05845 51 3S 0.69597 0.42686 -0.49295 0.01372 0.20486 52 3PX -0.14566 -0.59002 -0.15180 0.00262 0.00969 53 3PY 1.37283 -0.47667 0.29527 -0.28809 0.14403 54 3PZ -0.45327 -0.90089 0.04897 -0.03168 -0.24750 55 4XX 0.01495 -0.00165 -0.00572 -0.00479 -0.00053 56 4YY -0.02628 0.00811 0.01239 0.00497 -0.00126 57 4ZZ 0.00595 -0.01032 -0.00589 0.00218 -0.00275 58 4XY 0.00264 0.00239 -0.00662 0.00051 -0.00136 59 4XZ 0.00092 -0.01344 -0.00626 -0.00208 0.01220 60 4YZ 0.00507 0.00514 0.02348 -0.00169 0.00198 61 5 C 1S -0.00501 0.05462 0.04988 0.01183 0.00112 62 2S -0.01911 -0.06386 -0.05067 -0.01457 0.03162 63 2PX -0.03122 0.03938 0.16614 0.08598 0.01369 64 2PY -0.04685 -0.04815 -0.13033 0.02964 0.00221 65 2PZ 0.02996 -0.15515 0.17513 -0.02968 -0.00026 66 3S 0.41593 -1.37547 -1.44089 -0.20213 -0.12332 67 3PX -0.26633 0.06295 1.06962 -0.07222 -0.13172 68 3PY -0.13610 -0.13922 -0.85991 0.07404 -0.14652 69 3PZ -0.14014 -0.67712 1.01376 -0.10938 -0.14451 70 4XX -0.00287 0.00930 0.01013 -0.00492 -0.00617 71 4YY 0.00719 -0.02213 -0.00261 0.00404 0.00162 72 4ZZ -0.00575 0.01851 -0.00224 0.00470 0.00847 73 4XY 0.01180 0.01092 -0.01300 0.00593 -0.00776 74 4XZ -0.00620 0.01089 0.00235 -0.00061 -0.00587 75 4YZ 0.01997 0.01499 -0.01318 -0.00466 0.00688 76 6 C 1S 0.00770 0.04913 -0.06119 -0.00226 0.00128 77 2S -0.01975 -0.05117 0.03529 -0.00790 -0.02212 78 2PX -0.06485 -0.02931 0.10793 -0.06931 -0.02060 79 2PY -0.01794 -0.19980 -0.04473 0.03378 0.03085 80 2PZ -0.15611 0.04049 0.10433 0.05972 -0.00493 81 3S -0.14008 -1.39621 1.97824 -0.08238 0.13810 82 3PX -0.36009 0.00208 0.90310 -0.13323 -0.04292 83 3PY -0.17679 -1.37892 -0.73113 -0.09860 0.22946 84 3PZ -0.57663 0.29874 0.78968 -0.00013 0.03204 85 4XX -0.00610 -0.00239 -0.01764 0.01091 0.00253 86 4YY 0.00104 0.02471 0.00739 -0.01043 -0.00338 87 4ZZ 0.00482 -0.01758 -0.00115 -0.00623 -0.00019 88 4XY 0.00240 -0.00351 0.02270 0.00382 -0.00020 89 4XZ -0.00234 -0.01441 -0.01143 -0.00795 -0.00113 90 4YZ 0.00641 0.00073 0.02428 -0.00019 0.00158 91 7 H 1S 0.00068 0.06453 0.08426 0.04222 0.00085 92 2S 0.70195 0.13214 0.19509 0.06215 -0.05947 93 8 H 1S -0.04858 0.09261 -0.02691 -0.01843 0.00913 94 2S 0.14672 -0.07505 -0.43576 -0.18363 0.11050 95 9 H 1S -0.05915 0.00897 -0.03398 0.01519 -0.03027 96 2S -0.65902 -0.47083 0.15213 0.11691 -0.11292 97 10 H 1S 0.05923 -0.00899 -0.03391 -0.01518 0.03026 98 2S 0.65912 0.47100 0.15126 -0.11693 0.11298 99 11 H 1S 0.04858 -0.09266 -0.02674 0.01844 -0.00914 100 2S -0.14715 0.07439 -0.43584 0.18355 -0.11044 101 12 H 1S -0.00072 -0.06441 0.08436 -0.04222 -0.00086 102 2S -0.70149 -0.13178 0.19512 -0.06215 0.05948 103 13 C 1S 0.00707 0.00782 -0.00109 0.02272 -0.11316 104 2S 0.00513 -0.00679 -0.00358 0.00748 0.12507 105 2PX 0.02775 -0.03857 -0.00294 0.12825 0.15942 106 2PY 0.04320 -0.00895 -0.00519 0.24083 -0.14950 107 2PZ -0.00628 0.05665 0.01926 0.08473 0.22706 108 3S -0.28476 -0.09037 -0.02073 -1.25393 2.60205 109 3PX 0.05063 -0.02085 -0.03788 0.70808 1.07755 110 3PY 0.29445 -0.17666 -0.02060 1.79277 -1.77023 111 3PZ -0.02140 0.08861 -0.02238 0.29515 0.98268 112 4XX -0.00157 -0.00080 -0.00318 -0.00393 0.00537 113 4YY 0.00600 0.00272 0.00030 0.02512 -0.02342 114 4ZZ -0.00244 0.00104 0.00005 -0.00402 0.01367 115 4XY 0.00176 0.00144 -0.00388 0.00482 -0.00227 116 4XZ -0.00086 0.00203 0.00058 -0.01351 -0.01115 117 4YZ 0.00090 0.00266 0.00371 -0.00093 0.00423 118 14 O 1S 0.00214 -0.00067 -0.00131 0.01840 0.04211 119 2S -0.00236 0.01326 -0.02282 -0.05336 -0.03818 120 2PX -0.01727 -0.03927 0.03690 0.18589 0.17937 121 2PY 0.00797 0.02594 -0.03329 -0.08118 0.01773 122 2PZ 0.03256 -0.00829 -0.01283 0.15780 0.16682 123 3S -0.00736 -0.01940 0.09576 -0.17067 -0.92177 124 3PX 0.01098 -0.04494 0.00261 0.44733 0.39736 125 3PY -0.01791 0.03109 -0.03097 -0.21315 0.29186 126 3PZ 0.04119 -0.04893 -0.00670 0.41042 0.27639 127 4XX 0.00244 0.00765 -0.00360 -0.00468 0.02430 128 4YY 0.00397 0.00385 -0.00886 0.00902 -0.00078 129 4ZZ -0.00188 -0.00048 -0.01008 -0.00492 0.01833 130 4XY -0.00587 0.00003 -0.00149 -0.02044 0.02167 131 4XZ 0.00771 0.00505 -0.00143 -0.00122 -0.01204 132 4YZ -0.00537 -0.00456 0.00267 -0.01789 0.01720 133 15 C 1S 0.00001 0.00001 0.00678 0.00000 0.00000 134 2S -0.00004 -0.00003 -0.02252 0.00001 -0.00002 135 2PX 0.00005 -0.00001 -0.00888 0.00000 0.00002 136 2PY 0.09127 0.07179 -0.00008 -0.03525 -0.31611 137 2PZ 0.00000 0.00001 0.02875 -0.00001 -0.00003 138 3S -0.00005 -0.00011 -0.05186 -0.00001 0.00004 139 3PX 0.00008 0.00008 0.03586 -0.00001 -0.00001 140 3PY -0.07853 0.09357 -0.00013 -0.95931 0.10076 141 3PZ -0.00001 0.00002 0.05968 -0.00012 0.00003 142 4XX 0.00000 0.00000 -0.00469 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00334 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00191 0.00000 0.00000 145 4XY 0.00726 0.00631 -0.00001 -0.00644 -0.01097 146 4XZ 0.00000 0.00000 0.00287 0.00000 0.00000 147 4YZ 0.00156 0.00332 -0.00001 -0.00987 -0.01510 148 16 C 1S -0.00707 -0.00782 -0.00107 -0.02273 0.11316 149 2S -0.00514 0.00677 -0.00359 -0.00745 -0.12508 150 2PX -0.02774 0.03854 -0.00301 -0.12825 -0.15943 151 2PY 0.04317 -0.00895 0.00521 0.24083 -0.14948 152 2PZ 0.00625 -0.05662 0.01933 -0.08466 -0.22711 153 3S 0.28481 0.09034 -0.02088 1.25394 -2.60203 154 3PX -0.05065 0.02079 -0.03803 -0.70804 -1.07761 155 3PY 0.29446 -0.17660 0.02088 1.79283 -1.76999 156 3PZ 0.02141 -0.08869 -0.02229 -0.29472 -0.98311 157 4XX 0.00158 0.00079 -0.00318 0.00393 -0.00536 158 4YY -0.00600 -0.00273 0.00030 -0.02511 0.02342 159 4ZZ 0.00244 -0.00104 0.00005 0.00402 -0.01367 160 4XY 0.00177 0.00144 0.00387 0.00482 -0.00227 161 4XZ 0.00086 -0.00204 0.00058 0.01351 0.01115 162 4YZ 0.00089 0.00266 -0.00372 -0.00093 0.00424 163 17 H 1S 0.00000 -0.00002 -0.01420 0.00000 0.00000 164 2S -0.00008 0.00002 0.04274 0.00000 -0.00001 165 18 H 1S 0.00000 0.00002 0.00723 0.00000 -0.00001 166 2S 0.00005 0.00004 -0.06127 0.00002 -0.00004 167 19 O 1S -0.00214 0.00066 -0.00131 -0.01839 -0.04211 168 2S 0.00236 -0.01330 -0.02278 0.05335 0.03818 169 2PX 0.01728 0.03933 0.03680 -0.18589 -0.17936 170 2PY 0.00801 0.02601 0.03323 -0.08117 0.01777 171 2PZ -0.03257 0.00827 -0.01285 -0.15780 -0.16683 172 3S 0.00745 0.01957 0.09574 0.17062 0.92181 173 3PX -0.01097 0.04494 0.00248 -0.44731 -0.39737 174 3PY -0.01784 0.03114 0.03092 -0.21308 0.29192 175 3PZ -0.04119 0.04894 -0.00682 -0.41045 -0.27633 176 4XX -0.00245 -0.00765 -0.00359 0.00469 -0.02430 177 4YY -0.00397 -0.00386 -0.00885 -0.00901 0.00077 178 4ZZ 0.00188 0.00046 -0.01008 0.00491 -0.01832 179 4XY -0.00587 0.00003 0.00149 -0.02044 0.02166 180 4XZ -0.00772 -0.00505 -0.00142 0.00122 0.01204 181 4YZ -0.00538 -0.00457 -0.00267 -0.01789 0.01720 182 20 H 1S 0.03646 0.01794 -0.04196 -0.00550 -0.02144 183 2S 0.53278 -0.09828 0.07722 -0.09633 0.19822 184 21 H 1S -0.03643 -0.01804 -0.04192 0.00550 0.02145 185 2S -0.53276 0.09857 0.07657 0.09634 -0.19825 186 22 H 1S -0.00774 0.01322 -0.01279 -0.02443 -0.06637 187 2S -0.09428 0.28189 0.02651 -0.34194 0.96141 188 23 H 1S 0.00773 -0.01324 -0.01277 0.02444 0.06639 189 2S 0.09415 -0.28181 0.02689 0.34195 -0.96151 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 -0.09297 -0.00204 -0.03357 -0.00378 -0.00425 2 2S 0.03023 -0.05807 0.01641 0.06497 -0.33228 3 2PX 0.04081 -0.09810 0.16388 0.12707 -0.08378 4 2PY -0.15075 0.05006 0.22075 0.24780 0.03598 5 2PZ 0.11604 0.12626 0.11081 0.13662 -0.06434 6 3S 3.56254 0.19257 1.45027 -0.00113 0.36937 7 3PX 1.02283 0.08561 1.81198 -0.14204 0.06534 8 3PY -2.25640 0.03524 1.70891 -0.36949 -0.01910 9 3PZ 1.26242 -0.11623 1.45125 -0.15645 0.07981 10 4XX 0.00255 0.00695 -0.01396 0.01031 -0.00994 11 4YY -0.00687 -0.00880 0.02035 -0.02339 -0.04663 12 4ZZ 0.00742 -0.00205 0.00212 0.01747 -0.01513 13 4XY 0.00892 -0.00696 0.00318 0.01909 -0.00376 14 4XZ 0.00498 -0.00170 -0.00249 0.01944 -0.03193 15 4YZ 0.00823 -0.00591 0.00462 0.01975 -0.00080 16 2 C 1S 0.08006 0.00727 0.04115 -0.00014 -0.00065 17 2S -0.05678 -0.09496 0.01191 0.02358 -0.13251 18 2PX -0.11019 -0.04985 0.05354 -0.24901 0.09738 19 2PY 0.12926 0.06165 0.05959 0.00812 0.00592 20 2PZ -0.14485 -0.02258 0.19036 -0.19376 0.07373 21 3S -2.35131 0.00579 -2.13741 0.15019 -0.00525 22 3PX 0.28446 0.04173 1.64584 0.47723 -0.05932 23 3PY 1.87576 -0.03998 0.91892 0.00692 0.10358 24 3PZ -0.57145 0.19693 1.79556 0.34700 -0.17689 25 4XX 0.00039 -0.00232 0.02197 0.01143 -0.00868 26 4YY 0.00201 0.01229 -0.00827 -0.00916 -0.00644 27 4ZZ -0.00842 -0.02266 -0.01410 -0.01042 -0.00569 28 4XY 0.01700 -0.01242 0.00696 0.02815 -0.01018 29 4XZ -0.01030 -0.00884 0.01371 0.01366 -0.02765 30 4YZ 0.00523 0.01339 0.01281 0.02801 0.00000 31 3 C 1S -0.05781 -0.00521 -0.00860 0.00041 0.00109 32 2S -0.02160 -0.06905 0.00017 0.06023 0.00095 33 2PX 0.01441 -0.16203 0.01057 0.07791 0.21392 34 2PY 0.02801 0.05275 -0.18925 -0.29522 -0.02152 35 2PZ -0.08586 0.16473 0.15344 0.04024 -0.00802 36 3S 1.82654 0.05263 0.03544 -0.21154 0.08736 37 3PX -0.50890 0.23936 -0.06472 -0.13895 -0.28046 38 3PY -0.40588 -0.05195 -1.14335 0.30685 0.05941 39 3PZ -1.62436 -0.14239 0.40057 -0.03686 -0.01695 40 4XX 0.01908 -0.00219 -0.00424 -0.01283 0.00773 41 4YY 0.00214 -0.01656 -0.00719 0.06121 0.00629 42 4ZZ -0.02746 -0.00826 0.01039 -0.03538 -0.00313 43 4XY 0.00207 -0.02133 0.00251 0.01223 0.02779 44 4XZ -0.01028 -0.02767 -0.02005 -0.00821 0.04330 45 4YZ -0.00175 0.01508 -0.00797 0.01224 -0.00196 46 4 C 1S 0.05782 -0.00518 0.00861 0.00041 0.00109 47 2S 0.02157 -0.06909 -0.00001 0.06026 0.00093 48 2PX -0.01436 -0.16201 -0.01013 0.07792 0.21393 49 2PY 0.02794 -0.05334 -0.18909 0.29535 0.02153 50 2PZ 0.08589 0.16434 -0.15379 0.04045 -0.00801 51 3S -1.82650 0.05279 -0.03549 -0.21178 0.08714 52 3PX 0.50924 0.23947 0.06398 -0.13881 -0.28029 53 3PY -0.40621 0.04917 -1.14343 -0.30637 -0.05984 54 3PZ 1.62420 -0.14356 -0.40060 -0.03655 -0.01695 55 4XX -0.01906 -0.00220 0.00426 -0.01283 0.00775 56 4YY -0.00216 -0.01653 0.00723 0.06120 0.00628 57 4ZZ 0.02745 -0.00828 -0.01039 -0.03537 -0.00315 58 4XY 0.00209 0.02135 0.00243 -0.01224 -0.02780 59 4XZ 0.01030 -0.02762 0.02009 -0.00822 0.04328 60 4YZ -0.00175 -0.01511 -0.00792 -0.01221 0.00196 61 5 C 1S -0.08006 0.00717 -0.04118 -0.00014 -0.00067 62 2S 0.05681 -0.09492 -0.01159 0.02363 -0.13255 63 2PX 0.11028 -0.04995 -0.05364 -0.24899 0.09734 64 2PY 0.12926 -0.06147 0.05985 -0.00805 -0.00595 65 2PZ 0.14489 -0.02299 -0.19040 -0.19364 0.07362 66 3S 2.35118 0.01072 2.13753 0.14954 -0.00426 67 3PX -0.28403 0.03766 -1.64572 0.47784 -0.05997 68 3PY 1.87562 0.04203 0.91943 -0.00720 -0.10299 69 3PZ 0.57182 0.19235 -1.79572 0.34789 -0.17731 70 4XX -0.00039 -0.00237 -0.02195 0.01143 -0.00869 71 4YY -0.00202 0.01231 0.00823 -0.00913 -0.00645 72 4ZZ 0.00843 -0.02262 0.01415 -0.01044 -0.00570 73 4XY 0.01698 0.01243 0.00692 -0.02816 0.01019 74 4XZ 0.01030 -0.00887 -0.01366 0.01365 -0.02766 75 4YZ 0.00523 -0.01335 0.01283 -0.02802 0.00001 76 6 C 1S 0.09297 -0.00197 0.03358 -0.00378 -0.00423 77 2S -0.03030 -0.05808 -0.01620 0.06498 -0.33230 78 2PX -0.04082 -0.09853 -0.16350 0.12710 -0.08382 79 2PY -0.15076 -0.04952 0.22077 -0.24797 -0.03591 80 2PZ -0.11611 0.12602 -0.11103 0.13659 -0.06442 81 3S -3.56238 0.18920 -1.45100 -0.00091 0.36856 82 3PX -1.02324 0.08124 -1.81207 -0.14131 0.06468 83 3PY -2.25597 -0.03090 1.70994 0.36860 0.01945 84 3PZ -1.26273 -0.11975 -1.45085 -0.15592 0.07922 85 4XX -0.00255 0.00698 0.01395 0.01030 -0.00993 86 4YY 0.00685 -0.00885 -0.02034 -0.02337 -0.04663 87 4ZZ -0.00741 -0.00206 -0.00209 0.01747 -0.01514 88 4XY 0.00893 0.00697 0.00314 -0.01910 0.00375 89 4XZ -0.00498 -0.00169 0.00252 0.01944 -0.03192 90 4YZ 0.00824 0.00592 0.00459 -0.01976 0.00080 91 7 H 1S -0.04078 0.00357 -0.03609 -0.01154 -0.07768 92 2S 1.03638 -0.07789 0.42457 0.04202 -0.04252 93 8 H 1S 0.08373 0.07548 -0.03354 -0.01004 -0.02088 94 2S -0.74067 0.00012 -0.21713 -0.02505 -0.07781 95 9 H 1S 0.05306 -0.08398 -0.07731 -0.02361 0.14629 96 2S 0.17288 -0.08878 0.11373 0.07986 0.02163 97 10 H 1S -0.05312 -0.08381 0.07754 -0.02365 0.14626 98 2S -0.17284 -0.08910 -0.11356 0.07984 0.02160 99 11 H 1S -0.08373 0.07556 0.03340 -0.01004 -0.02090 100 2S 0.74068 0.00061 0.21713 -0.02502 -0.07768 101 12 H 1S 0.04078 0.00365 0.03607 -0.01153 -0.07764 102 2S -1.03642 -0.07888 -0.42437 0.04208 -0.04273 103 13 C 1S -0.00852 -0.00397 0.00860 0.00102 -0.02783 104 2S 0.00024 -0.21688 -0.06338 -0.08095 -0.01547 105 2PX 0.01232 0.05378 -0.10274 -0.19444 0.16425 106 2PY -0.01551 0.31625 -0.06998 -0.02025 0.20518 107 2PZ -0.02133 0.10342 -0.11338 0.10949 0.29647 108 3S 0.24237 0.06156 0.06696 0.02887 0.07294 109 3PX -0.06033 -0.04813 -0.10784 0.22598 -0.16292 110 3PY -0.09739 -0.42507 -0.15024 -0.02387 -0.19063 111 3PZ 0.03028 -0.22619 -0.09941 -0.13180 -0.32428 112 4XX 0.00107 0.00757 -0.00262 -0.00457 0.00940 113 4YY -0.00313 -0.07468 -0.00896 -0.00698 -0.01798 114 4ZZ 0.00219 0.02592 0.00880 -0.00177 -0.03214 115 4XY -0.00293 0.00272 -0.00244 0.01435 -0.02750 116 4XZ 0.00122 -0.02770 0.00474 -0.00534 -0.02621 117 4YZ -0.00144 0.00263 0.00128 0.02036 0.00775 118 14 O 1S 0.00186 0.01079 -0.00850 -0.00174 0.01452 119 2S -0.02440 0.05182 -0.01347 -0.03067 -0.13484 120 2PX 0.04321 0.06605 -0.01184 -0.02347 -0.00452 121 2PY -0.02800 -0.08570 -0.04243 -0.07266 0.11358 122 2PZ -0.01783 0.04842 -0.07982 0.00510 0.13821 123 3S -0.02139 -0.49398 0.13298 0.07027 0.26430 124 3PX -0.00344 -0.04442 -0.11384 -0.07298 -0.06763 125 3PY 0.01734 0.33908 0.01410 0.01387 -0.01209 126 3PZ -0.00915 -0.00446 -0.06745 0.07319 0.03809 127 4XX -0.00512 0.05356 -0.01312 -0.00814 -0.01022 128 4YY -0.01150 -0.05527 -0.01108 -0.01384 -0.02059 129 4ZZ -0.00653 0.04797 -0.01708 -0.02073 -0.02284 130 4XY 0.00423 0.02183 -0.00800 -0.01260 0.00403 131 4XZ -0.00976 -0.01923 -0.01772 -0.01579 0.03917 132 4YZ 0.00900 0.02333 0.00245 -0.00084 0.00754 133 15 C 1S 0.00000 0.01004 -0.00001 0.00756 -0.01609 134 2S 0.00000 -0.36575 0.00046 -0.00673 0.09798 135 2PX 0.00004 0.37668 -0.00048 -0.13865 -0.29040 136 2PY -0.10844 -0.00004 0.00495 -0.00003 0.00002 137 2PZ 0.00002 0.31870 -0.00044 0.05629 0.03592 138 3S 0.00006 0.91963 -0.00119 -0.07168 -0.12255 139 3PX -0.00012 -0.79800 0.00106 0.39770 0.43643 140 3PY 0.12640 0.00024 0.10561 0.00001 0.00002 141 3PZ 0.00005 -0.71023 0.00102 -0.12293 -0.34429 142 4XX 0.00000 -0.01089 0.00001 -0.02611 -0.03732 143 4YY 0.00001 0.03632 -0.00005 0.00514 0.00492 144 4ZZ -0.00001 -0.01434 0.00002 0.02865 0.01858 145 4XY -0.00484 -0.00001 -0.00375 0.00000 0.00000 146 4XZ 0.00000 -0.01529 0.00003 0.01364 -0.00821 147 4YZ -0.00822 -0.00001 -0.00878 0.00000 0.00000 148 16 C 1S 0.00851 -0.00400 -0.00859 0.00102 -0.02782 149 2S -0.00017 -0.21670 0.06391 -0.08099 -0.01554 150 2PX -0.01225 0.05410 0.10248 -0.19450 0.16425 151 2PY -0.01547 -0.31643 -0.06920 0.02030 -0.20525 152 2PZ 0.02132 0.10370 0.11307 0.10942 0.29638 153 3S -0.24237 0.06164 -0.06720 0.02907 0.07280 154 3PX 0.06020 -0.04782 0.10807 0.22600 -0.16296 155 3PY -0.09747 0.42487 -0.15126 0.02399 0.19045 156 3PZ -0.03028 -0.22580 0.09996 -0.13171 -0.32412 157 4XX -0.00106 0.00758 0.00259 -0.00457 0.00939 158 4YY 0.00314 -0.07465 0.00915 -0.00699 -0.01798 159 4ZZ -0.00220 0.02589 -0.00885 -0.00177 -0.03215 160 4XY -0.00292 -0.00272 -0.00245 -0.01435 0.02750 161 4XZ -0.00121 -0.02772 -0.00467 -0.00534 -0.02621 162 4YZ -0.00143 -0.00265 0.00129 -0.02036 -0.00775 163 17 H 1S 0.00002 0.05631 -0.00009 -0.11198 -0.15010 164 2S 0.00004 0.05050 -0.00006 -0.09424 -0.07488 165 18 H 1S -0.00003 0.03704 -0.00005 0.07919 0.08961 166 2S -0.00009 0.00411 -0.00003 0.07707 0.24456 167 19 O 1S -0.00186 0.01082 0.00847 -0.00175 0.01451 168 2S 0.02441 0.05184 0.01332 -0.03065 -0.13483 169 2PX -0.04318 0.06608 0.01170 -0.02351 -0.00451 170 2PY -0.02800 0.08556 -0.04261 0.07267 -0.11358 171 2PZ 0.01782 0.04868 0.07962 0.00507 0.13817 172 3S 0.02137 -0.49437 -0.13162 0.07022 0.26426 173 3PX 0.00348 -0.04408 0.11393 -0.07298 -0.06761 174 3PY 0.01734 -0.33907 0.01495 -0.01391 0.01210 175 3PZ 0.00912 -0.00434 0.06747 0.07317 0.03810 176 4XX 0.00513 0.05360 0.01298 -0.00815 -0.01023 177 4YY 0.01150 -0.05523 0.01121 -0.01384 -0.02059 178 4ZZ 0.00653 0.04800 0.01694 -0.02073 -0.02285 179 4XY 0.00422 -0.02185 -0.00793 0.01261 -0.00404 180 4XZ 0.00977 -0.01918 0.01775 -0.01580 0.03916 181 4YZ 0.00900 -0.02335 0.00251 0.00084 -0.00754 182 20 H 1S -0.05920 0.13975 -0.06633 -0.02976 -0.17007 183 2S -0.28294 -0.06693 0.03731 0.04887 0.06074 184 21 H 1S 0.05926 0.13991 0.06602 -0.02978 -0.17010 185 2S 0.28285 -0.06705 -0.03719 0.04891 0.06075 186 22 H 1S -0.00191 -0.07817 0.02206 -0.08483 -0.19784 187 2S -0.07238 -0.02451 -0.02992 0.08759 -0.04187 188 23 H 1S 0.00192 -0.07826 -0.02183 -0.08483 -0.19783 189 2S 0.07233 -0.02435 0.03006 0.08764 -0.04189 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 -0.00605 0.00086 0.00970 -0.00162 0.04595 2 2S -0.17988 -0.02076 0.09702 0.19004 0.09133 3 2PX 0.01263 0.01980 0.01777 -0.19931 -0.01985 4 2PY 0.18845 -0.05073 0.00122 -0.09639 0.23831 5 2PZ 0.04499 -0.03791 -0.16570 0.26806 0.07357 6 3S 0.37911 -0.05675 -0.15448 -0.27844 -0.97572 7 3PX 0.09651 -0.01575 -0.00244 0.05853 -0.66277 8 3PY -0.22966 0.14572 0.03758 0.19695 -0.32630 9 3PZ -0.04116 -0.00548 0.14529 -0.27092 -0.61405 10 4XX 0.01531 0.00514 -0.00696 0.00157 -0.01362 11 4YY -0.04916 -0.01493 0.01349 0.04496 0.06038 12 4ZZ 0.00329 0.00250 0.02889 -0.01505 0.00265 13 4XY -0.00937 -0.00416 -0.03013 0.01830 0.00518 14 4XZ -0.00369 -0.00468 0.04122 -0.00957 0.03635 15 4YZ -0.00033 -0.00399 -0.03194 -0.00178 0.00603 16 2 C 1S 0.00899 -0.00573 -0.00059 0.00296 -0.01426 17 2S -0.00218 0.04224 -0.05167 -0.00460 0.08406 18 2PX 0.10642 0.08843 -0.06899 -0.10150 -0.31263 19 2PY -0.03799 -0.07529 0.15437 0.08888 0.03787 20 2PZ -0.12388 0.08035 -0.04270 0.04516 -0.10962 21 3S -0.34131 -0.12872 0.16730 0.27575 1.12943 22 3PX -0.14073 -0.16526 0.18585 0.04858 0.09997 23 3PY 0.32840 0.13227 -0.27350 -0.41111 -0.75555 24 3PZ 0.35712 0.01520 0.02005 -0.03801 -0.21580 25 4XX 0.01346 0.00387 -0.02920 0.00061 -0.00194 26 4YY 0.01941 -0.00489 0.05566 -0.00783 0.01821 27 4ZZ -0.02599 0.00242 -0.03662 0.01726 0.00643 28 4XY 0.00180 0.00196 0.00009 -0.01284 0.00476 29 4XZ -0.01480 -0.00896 -0.00276 0.02601 0.04069 30 4YZ 0.03559 0.01210 -0.01246 -0.01925 -0.02385 31 3 C 1S 0.00316 0.00388 0.00068 0.00096 -0.00265 32 2S -0.11649 -0.04276 -0.06192 0.09975 0.11664 33 2PX 0.01440 0.10525 0.06451 -0.23193 -0.04358 34 2PY -0.07441 0.07381 0.19303 -0.06793 0.05798 35 2PZ 0.27281 0.11206 0.09843 -0.27081 -0.16933 36 3S 0.15262 0.28515 -0.17567 -0.21713 -0.56033 37 3PX 0.00058 0.04621 -0.11788 0.26095 0.31132 38 3PY 0.04468 -0.15970 -0.25161 0.11985 0.31016 39 3PZ -0.32962 -0.08428 -0.05965 0.35087 0.42701 40 4XX 0.00287 -0.00995 0.02644 -0.03045 -0.00338 41 4YY -0.00477 0.00937 -0.04678 0.02867 0.00367 42 4ZZ -0.01540 0.00898 -0.00718 0.01714 -0.00003 43 4XY -0.00626 -0.00236 0.02247 -0.01528 -0.00002 44 4XZ -0.02149 0.00650 0.00210 -0.01425 -0.01262 45 4YZ 0.00579 -0.00422 0.03312 0.01483 0.00832 46 4 C 1S 0.00315 -0.00388 0.00067 0.00096 0.00265 47 2S -0.11648 0.04279 -0.06190 0.09979 -0.11671 48 2PX 0.01448 -0.10523 0.06439 -0.23222 0.04360 49 2PY 0.07437 0.07399 -0.19289 0.06793 0.05802 50 2PZ 0.27272 -0.11204 0.09838 -0.27084 0.16947 51 3S 0.15266 -0.28488 -0.17610 -0.21752 0.56048 52 3PX 0.00037 -0.04622 -0.11792 0.26131 -0.31148 53 3PY -0.04439 -0.15989 0.25147 -0.12019 0.31018 54 3PZ -0.32955 0.08419 -0.05949 0.35106 -0.42710 55 4XX 0.00286 0.00994 0.02645 -0.03047 0.00338 56 4YY -0.00476 -0.00933 -0.04679 0.02869 -0.00367 57 4ZZ -0.01540 -0.00897 -0.00719 0.01714 0.00004 58 4XY 0.00627 -0.00235 -0.02247 0.01527 0.00000 59 4XZ -0.02151 -0.00649 0.00205 -0.01421 0.01261 60 4YZ -0.00579 -0.00416 -0.03313 -0.01483 0.00835 61 5 C 1S 0.00901 0.00573 -0.00059 0.00294 0.01424 62 2S -0.00224 -0.04215 -0.05168 -0.00447 -0.08411 63 2PX 0.10641 -0.08833 -0.06902 -0.10175 0.31251 64 2PY 0.03795 -0.07499 -0.15441 -0.08891 0.03792 65 2PZ -0.12385 -0.08026 -0.04286 0.04519 0.10972 66 3S -0.34180 0.12836 0.16727 0.27647 -1.12941 67 3PX -0.14028 0.16505 0.18607 0.04865 -0.10008 68 3PY -0.32873 0.13168 0.27364 0.41169 -0.75586 69 3PZ 0.35730 -0.01527 0.02039 -0.03829 0.21540 70 4XX 0.01346 -0.00384 -0.02919 0.00061 0.00197 71 4YY 0.01942 0.00481 0.05566 -0.00782 -0.01826 72 4ZZ -0.02599 -0.00236 -0.03663 0.01728 -0.00645 73 4XY -0.00180 0.00195 -0.00007 0.01282 0.00480 74 4XZ -0.01481 0.00896 -0.00275 0.02605 -0.04075 75 4YZ -0.03557 0.01209 0.01249 0.01927 -0.02385 76 6 C 1S -0.00607 -0.00087 0.00970 -0.00160 -0.04594 77 2S -0.17987 0.02053 0.09703 0.19010 -0.09136 78 2PX 0.01261 -0.01972 0.01780 -0.19936 0.01959 79 2PY -0.18851 -0.05076 -0.00126 0.09626 0.23853 80 2PZ 0.04502 0.03795 -0.16570 0.26817 -0.07344 81 3S 0.37974 0.05710 -0.15455 -0.27920 0.97577 82 3PX 0.09703 0.01572 -0.00237 0.05805 0.66298 83 3PY 0.22953 0.14585 -0.03780 -0.19670 -0.32674 84 3PZ -0.04067 0.00549 0.14531 -0.27144 0.61393 85 4XX 0.01531 -0.00514 -0.00695 0.00155 0.01361 86 4YY -0.04916 0.01489 0.01349 0.04500 -0.06036 87 4ZZ 0.00329 -0.00253 0.02890 -0.01504 -0.00265 88 4XY 0.00936 -0.00419 0.03013 -0.01828 0.00513 89 4XZ -0.00369 0.00463 0.04124 -0.00955 -0.03635 90 4YZ 0.00032 -0.00403 0.03193 0.00179 0.00600 91 7 H 1S -0.01071 -0.02002 0.26221 -0.05703 0.16818 92 2S -0.04810 -0.06540 -0.11992 0.01410 -0.20194 93 8 H 1S 0.04057 -0.05771 0.26300 -0.01760 0.11257 94 2S -0.13426 -0.00640 -0.08722 0.20352 0.24331 95 9 H 1S -0.00184 -0.01445 0.15761 -0.13221 -0.08361 96 2S -0.01816 -0.15948 0.00870 0.10854 -0.22191 97 10 H 1S -0.00185 0.01436 0.15756 -0.13222 0.08356 98 2S -0.01812 0.15945 0.00900 0.10860 0.22209 99 11 H 1S 0.04058 0.05737 0.26304 -0.01750 -0.11284 100 2S -0.13437 0.00641 -0.08719 0.20369 -0.24336 101 12 H 1S -0.01072 0.01970 0.26224 -0.05694 -0.16828 102 2S -0.04789 0.06555 -0.11993 0.01395 0.20202 103 13 C 1S -0.00943 0.04597 -0.00656 -0.02133 0.01978 104 2S 0.01697 -0.04453 -0.16613 0.00676 -0.08470 105 2PX 0.33504 0.14740 -0.29025 0.00111 -0.43679 106 2PY 0.06254 0.18004 0.13178 0.18646 -0.07031 107 2PZ -0.13090 -0.03243 0.02835 0.07926 -0.05747 108 3S -0.14349 -1.08401 0.00741 -0.13931 -0.12596 109 3PX -0.40218 -0.68456 0.54043 0.14207 0.89798 110 3PY -0.19249 0.72469 -0.37966 -0.35578 0.13517 111 3PZ 0.17638 -0.27193 0.15186 -0.03092 0.07757 112 4XX -0.02496 -0.00941 -0.00439 0.00145 0.01655 113 4YY 0.00108 0.02172 -0.03085 -0.00932 -0.00732 114 4ZZ 0.00252 -0.00998 0.01537 -0.00805 0.02192 115 4XY -0.02332 -0.01329 0.04770 0.00791 -0.00655 116 4XZ -0.01118 0.01145 -0.01522 -0.02018 0.02833 117 4YZ -0.02614 -0.01530 0.00186 0.00882 0.00057 118 14 O 1S -0.00214 -0.00737 0.00119 0.00434 -0.00342 119 2S -0.13983 0.09623 -0.01278 -0.15653 0.07777 120 2PX 0.10179 0.02727 -0.07680 0.02810 -0.10069 121 2PY 0.15662 -0.21110 0.03959 0.11662 -0.14949 122 2PZ -0.08791 0.05693 -0.03764 -0.04649 -0.04628 123 3S 0.61693 -0.27774 0.07988 0.56875 -0.54572 124 3PX 0.00952 -0.21856 0.05000 -0.01000 -0.04143 125 3PY -0.19740 0.01619 -0.02200 -0.15444 0.09885 126 3PZ -0.12211 -0.25870 0.06371 0.01243 0.02113 127 4XX -0.04010 0.02060 -0.01280 -0.03972 -0.00344 128 4YY 0.00213 -0.00021 0.02100 -0.00639 0.01380 129 4ZZ -0.04400 0.01484 -0.01036 -0.04211 -0.00361 130 4XY 0.00353 0.05394 -0.01825 -0.01254 0.00364 131 4XZ 0.03595 -0.01609 -0.01298 0.02836 -0.05648 132 4YZ -0.00378 0.05933 -0.02253 -0.01779 -0.00426 133 15 C 1S -0.01514 0.00001 -0.00361 -0.02239 0.00000 134 2S 0.14613 -0.00017 0.13360 0.25155 0.00004 135 2PX -0.06753 0.00020 -0.17566 -0.28125 -0.00009 136 2PY -0.00001 -0.85347 -0.00055 -0.00015 -0.25768 137 2PZ -0.45845 0.00017 -0.22628 -0.30831 -0.00015 138 3S -0.30173 0.00028 -0.23261 -0.34910 -0.00009 139 3PX 0.11476 -0.00060 0.63375 0.66091 0.00034 140 3PY 0.00000 1.46683 0.00093 0.00022 0.53818 141 3PZ 0.94777 -0.00063 0.72816 0.94653 0.00050 142 4XX 0.02772 -0.00001 0.00797 0.01271 0.00000 143 4YY -0.03416 0.00004 -0.02557 -0.01962 0.00000 144 4ZZ -0.03183 -0.00001 0.00556 -0.02083 -0.00001 145 4XY 0.00000 -0.04312 -0.00003 -0.00001 -0.03034 146 4XZ 0.00054 -0.00003 0.03058 0.01648 0.00002 147 4YZ 0.00000 -0.05049 -0.00003 -0.00001 -0.02434 148 16 C 1S -0.00944 -0.04596 -0.00662 -0.02134 -0.01979 149 2S 0.01703 0.04473 -0.16622 0.00680 0.08442 150 2PX 0.33503 -0.14706 -0.29047 0.00085 0.43671 151 2PY -0.06247 0.18032 -0.13152 -0.18635 -0.07032 152 2PZ -0.13091 0.03242 0.02829 0.07929 0.05737 153 3S -0.14338 1.08415 0.00927 -0.13905 0.12644 154 3PX -0.40204 0.68384 0.54141 0.14278 -0.89767 155 3PY 0.19268 0.72389 0.38066 0.35595 0.13512 156 3PZ 0.17634 0.27187 0.15255 -0.03089 -0.07747 157 4XX -0.02496 0.00943 -0.00438 0.00147 -0.01654 158 4YY 0.00106 -0.02167 -0.03089 -0.00933 0.00730 159 4ZZ 0.00254 0.00996 0.01538 -0.00804 -0.02195 160 4XY 0.02332 -0.01323 -0.04772 -0.00791 -0.00657 161 4XZ -0.01118 -0.01142 -0.01525 -0.02019 -0.02836 162 4YZ 0.02613 -0.01531 -0.00189 -0.00883 0.00052 163 17 H 1S 0.06055 0.00007 -0.09368 -0.06891 -0.00006 164 2S 0.03875 0.00016 -0.19598 -0.13669 -0.00010 165 18 H 1S -0.16535 0.00015 -0.13055 -0.22994 -0.00011 166 2S -0.22762 0.00022 -0.20050 -0.31344 -0.00015 167 19 O 1S -0.00214 0.00737 0.00120 0.00435 0.00343 168 2S -0.13985 -0.09611 -0.01291 -0.15656 -0.07789 169 2PX 0.10180 -0.02719 -0.07684 0.02806 0.10067 170 2PY -0.15664 -0.21093 -0.03983 -0.11667 -0.14943 171 2PZ -0.08794 -0.05689 -0.03777 -0.04657 0.04618 172 3S 0.61704 0.27724 0.08015 0.56879 0.54596 173 3PX 0.00952 0.21852 0.05034 -0.00993 0.04150 174 3PY 0.19743 0.01600 0.02197 0.15444 0.09894 175 3PZ -0.12203 0.25864 0.06410 0.01262 -0.02101 176 4XX -0.04010 -0.02056 -0.01284 -0.03974 0.00339 177 4YY 0.00212 0.00015 0.02099 -0.00639 -0.01381 178 4ZZ -0.04400 -0.01477 -0.01037 -0.04211 0.00358 179 4XY -0.00353 0.05390 0.01833 0.01256 0.00366 180 4XZ 0.03596 0.01610 -0.01297 0.02835 0.05646 181 4YZ 0.00380 0.05929 0.02262 0.01783 -0.00425 182 20 H 1S 0.06275 0.00683 0.06191 0.05796 -0.06038 183 2S -0.05189 -0.04571 -0.01782 -0.02805 -0.01687 184 21 H 1S 0.06272 -0.00701 0.06182 0.05802 0.06039 185 2S -0.05195 0.04581 -0.01766 -0.02802 0.01692 186 22 H 1S 0.09125 0.08755 0.00256 -0.12370 0.04076 187 2S 0.08666 -0.39166 0.31231 0.18573 0.03409 188 23 H 1S 0.09121 -0.08754 0.00245 -0.12374 -0.04105 189 2S 0.08670 0.39116 0.31291 0.18587 -0.03402 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 0.02294 0.01988 0.00852 -0.02372 0.02650 2 2S -0.06307 -0.14438 0.12611 -0.22320 -0.02179 3 2PX -0.22299 0.05303 -0.48224 0.08620 0.26954 4 2PY -0.28149 -0.11567 0.06857 0.17261 0.07866 5 2PZ -0.12526 -0.25524 0.26106 0.06381 -0.15255 6 3S -0.04639 0.00719 -0.11456 0.67911 -0.29975 7 3PX 0.19966 -0.31683 0.61744 0.09326 -0.61320 8 3PY 0.30237 -0.24837 -0.23465 -0.19771 0.08380 9 3PZ 0.02674 -0.02198 -0.09243 0.11237 -0.09976 10 4XX -0.01056 0.00318 -0.01416 -0.02514 0.02657 11 4YY 0.02668 -0.01806 0.00204 -0.04661 0.01842 12 4ZZ 0.00416 0.00127 0.06270 0.00916 -0.02955 13 4XY 0.01575 0.00187 0.02490 0.01467 0.01088 14 4XZ 0.01697 0.01538 0.04334 -0.03474 0.01491 15 4YZ 0.02142 0.00097 -0.02861 0.02742 -0.00043 16 2 C 1S -0.04631 -0.03208 0.00297 0.02861 0.00126 17 2S 0.00214 -0.03544 0.14756 -0.06689 -0.05547 18 2PX 0.02283 0.01916 -0.15834 -0.19083 0.12211 19 2PY -0.11243 -0.11459 -0.06961 -0.08346 -0.01311 20 2PZ 0.00280 -0.12877 0.05829 0.22803 -0.47151 21 3S -0.11928 -0.08008 -0.47138 -0.23613 0.47030 22 3PX -0.30233 -0.45336 0.09790 0.42847 -0.18794 23 3PY 0.07665 0.24646 0.41888 0.77732 -0.26979 24 3PZ -0.12602 -0.32258 -0.05099 -0.09702 0.60586 25 4XX 0.02317 0.01957 0.01653 0.03105 -0.01822 26 4YY -0.03220 -0.03854 0.02954 -0.03261 0.01888 27 4ZZ -0.04532 -0.03156 -0.02864 0.01865 -0.00444 28 4XY -0.03577 -0.02181 0.02095 0.01415 -0.02063 29 4XZ -0.06398 -0.05132 -0.02251 0.00523 0.01099 30 4YZ 0.01037 0.03622 -0.02626 -0.01172 0.01810 31 3 C 1S 0.01475 0.00272 0.00444 -0.00858 -0.02528 32 2S -0.12540 -0.14550 -0.01731 -0.02011 0.23403 33 2PX 0.00933 0.09561 0.16375 0.06146 -0.07815 34 2PY -0.24644 0.04687 0.05493 0.33695 -0.31945 35 2PZ 0.33542 0.38610 0.05382 0.02735 0.01522 36 3S 0.33039 0.51286 0.01937 -0.10212 -1.00026 37 3PX 0.05092 -0.20253 -0.29613 -0.19840 0.18649 38 3PY 0.35139 0.01333 -0.17879 -0.64580 0.75632 39 3PZ -0.39522 -1.03813 -0.28758 -0.19838 0.11165 40 4XX -0.00544 0.01700 0.02318 0.03489 0.03158 41 4YY 0.01431 -0.00216 -0.02674 -0.06351 -0.03133 42 4ZZ -0.00033 -0.02034 0.00268 0.00941 -0.00900 43 4XY -0.01813 -0.00334 0.01066 -0.00903 0.00517 44 4XZ -0.00125 -0.00806 0.00997 -0.01346 -0.02599 45 4YZ -0.00832 0.00062 0.00250 -0.04211 0.01763 46 4 C 1S 0.01476 -0.00271 0.00442 -0.00860 0.02528 47 2S -0.12543 0.14553 -0.01682 -0.01977 -0.23402 48 2PX 0.00947 -0.09609 0.16355 0.06151 0.07830 49 2PY 0.24618 0.04767 -0.05464 -0.33673 -0.31946 50 2PZ 0.33543 -0.38615 0.05292 0.02654 -0.01539 51 3S 0.33030 -0.51262 0.01758 -0.10332 1.00026 52 3PX 0.05088 0.20356 -0.29576 -0.19834 -0.18686 53 3PY -0.35150 0.01157 0.17841 0.64563 0.75636 54 3PZ -0.39521 1.03886 -0.28490 -0.19613 -0.11138 55 4XX -0.00546 -0.01709 0.02316 0.03486 -0.03156 56 4YY 0.01432 0.00232 -0.02675 -0.06353 0.03132 57 4ZZ -0.00033 0.02030 0.00272 0.00947 0.00900 58 4XY 0.01813 -0.00334 -0.01066 0.00904 0.00515 59 4XZ -0.00126 0.00810 0.00996 -0.01346 0.02602 60 4YZ 0.00832 0.00055 -0.00252 0.04209 0.01761 61 5 C 1S -0.04633 0.03202 0.00304 0.02867 -0.00125 62 2S 0.00222 0.03522 0.14761 -0.06688 0.05547 63 2PX 0.02251 -0.01846 -0.15844 -0.19098 -0.12216 64 2PY 0.11248 -0.11494 0.06935 0.08320 -0.01327 65 2PZ 0.00279 0.12830 0.05843 0.22831 0.47159 66 3S -0.11830 0.08143 -0.47090 -0.23588 -0.47033 67 3PX -0.30235 0.45235 0.09896 0.42945 0.18794 68 3PY -0.07604 0.24849 -0.41810 -0.77684 -0.26963 69 3PZ -0.12650 0.32264 -0.05008 -0.09655 -0.60611 70 4XX 0.02318 -0.01966 0.01648 0.03102 0.01819 71 4YY -0.03221 0.03853 0.02963 -0.03256 -0.01884 72 4ZZ -0.04532 0.03159 -0.02856 0.01869 0.00443 73 4XY 0.03577 -0.02174 -0.02099 -0.01420 -0.02066 74 4XZ -0.06397 0.05134 -0.02240 0.00532 -0.01099 75 4YZ -0.01034 0.03614 0.02637 0.01177 0.01811 76 6 C 1S 0.02299 -0.01986 0.00849 -0.02374 -0.02650 77 2S -0.06306 0.14433 0.12641 -0.22295 0.02180 78 2PX -0.22306 -0.05211 -0.48235 0.08604 -0.26956 79 2PY 0.28137 -0.11528 -0.06887 -0.17296 0.07858 80 2PZ -0.12517 0.25441 0.26164 0.06429 0.15255 81 3S -0.04730 -0.00807 -0.11473 0.67914 0.29956 82 3PX 0.19894 0.31529 0.61805 0.09398 0.61326 83 3PY -0.30207 -0.24918 0.23396 0.19727 0.08388 84 3PZ 0.02603 0.02205 -0.09249 0.11243 0.09986 85 4XX -0.01058 -0.00313 -0.01417 -0.02517 -0.02657 86 4YY 0.02674 0.01811 0.00210 -0.04654 -0.01844 87 4ZZ 0.00416 -0.00141 0.06270 0.00916 0.02957 88 4XY -0.01574 0.00197 -0.02490 -0.01467 0.01090 89 4XZ 0.01700 -0.01542 0.04332 -0.03476 -0.01489 90 4YZ -0.02143 0.00097 0.02859 -0.02743 -0.00040 91 7 H 1S 0.01104 0.04072 0.20322 -0.23034 0.06949 92 2S 0.00033 -0.13990 0.08617 0.12256 -0.16895 93 8 H 1S -0.23795 -0.16244 0.10842 -0.05980 0.02508 94 2S 0.00842 -0.03200 -0.24801 -0.31259 0.05897 95 9 H 1S -0.01261 0.06798 0.15702 0.00616 -0.03306 96 2S -0.01749 0.01840 0.09282 0.12526 -0.13485 97 10 H 1S -0.01269 -0.06828 0.15683 0.00603 0.03315 98 2S -0.01767 -0.01867 0.09268 0.12502 0.13495 99 11 H 1S -0.23793 0.16230 0.10879 -0.05953 -0.02492 100 2S 0.00863 0.03296 -0.24787 -0.31250 -0.05906 101 12 H 1S 0.01120 -0.04075 0.20319 -0.23035 -0.06933 102 2S 0.00004 0.13950 0.08641 0.12284 0.16895 103 13 C 1S -0.00533 -0.01847 0.01196 -0.00899 0.01500 104 2S -0.34788 -0.22844 0.13599 -0.21701 -0.14377 105 2PX -0.10718 -0.17654 0.12751 -0.04008 0.01438 106 2PY -0.06045 -0.33666 -0.16230 -0.06959 0.23753 107 2PZ -0.12499 -0.23649 -0.04750 -0.12718 0.11717 108 3S 0.64570 0.66026 0.03154 0.46220 0.68287 109 3PX 0.26488 0.53562 -0.14689 0.14185 -0.17588 110 3PY 0.16179 0.33467 0.39368 0.20970 -0.76947 111 3PZ 0.19565 0.51819 -0.00361 0.06561 0.15661 112 4XX 0.01624 0.02774 0.02568 0.00533 -0.05020 113 4YY -0.03594 -0.06439 0.03854 -0.01191 0.04354 114 4ZZ -0.01961 0.00805 -0.02287 -0.02908 -0.00402 115 4XY 0.01725 0.00330 -0.01257 0.01360 0.00558 116 4XZ -0.01730 0.00244 0.01810 -0.01522 0.00563 117 4YZ 0.04665 0.00504 -0.00041 0.05780 -0.00840 118 14 O 1S 0.00312 0.00518 0.00037 0.00267 -0.00253 119 2S -0.02577 -0.02866 0.01989 -0.06325 0.05444 120 2PX -0.05913 -0.07575 -0.00542 0.03001 0.01938 121 2PY -0.10312 -0.09267 -0.03136 -0.13872 0.02637 122 2PZ -0.03144 -0.05436 0.04669 -0.04803 -0.04084 123 3S -0.12412 -0.39296 -0.09205 0.00187 -0.03974 124 3PX 0.10640 0.16417 0.02320 0.05366 -0.02378 125 3PY 0.01751 0.07623 -0.03001 0.02718 0.03780 126 3PZ 0.10298 0.11049 0.00094 0.02987 -0.03688 127 4XX -0.03160 -0.04997 -0.00158 -0.03268 0.03823 128 4YY -0.00103 0.00504 0.00501 -0.02292 0.00363 129 4ZZ -0.00323 -0.00951 0.00512 -0.01443 0.00613 130 4XY -0.01986 -0.01734 -0.00227 -0.02097 -0.00114 131 4XZ -0.03221 -0.05520 0.00738 -0.01461 0.01014 132 4YZ -0.00810 -0.01179 0.00719 -0.00979 -0.00319 133 15 C 1S 0.00672 -0.00001 0.00311 0.00174 0.00000 134 2S -0.03543 0.00006 -0.00720 -0.03274 0.00003 135 2PX -0.08768 -0.00010 0.02112 0.02758 -0.00001 136 2PY 0.00009 0.04603 0.00006 0.00016 -0.00713 137 2PZ -0.04553 0.00004 0.08453 -0.12315 0.00005 138 3S -0.01863 0.00000 -0.07414 0.07533 -0.00008 139 3PX 0.46547 0.00030 -0.14446 0.05287 -0.00002 140 3PY -0.00022 -0.09953 -0.00012 -0.00036 0.07581 141 3PZ 0.29341 0.00001 -0.34157 0.52020 -0.00020 142 4XX 0.00060 0.00001 -0.01688 0.00842 -0.00001 143 4YY -0.00665 -0.00002 0.01212 0.01985 0.00000 144 4ZZ 0.00258 0.00001 0.01032 -0.02785 0.00001 145 4XY 0.00001 -0.02055 -0.00002 -0.00001 0.01142 146 4XZ 0.03118 0.00000 -0.01174 0.03020 -0.00001 147 4YZ 0.00001 -0.00655 0.00000 0.00001 -0.00525 148 16 C 1S -0.00533 0.01845 0.01201 -0.00896 -0.01498 149 2S -0.34791 0.22836 0.13645 -0.21671 0.14396 150 2PX -0.10749 0.17616 0.12794 -0.03995 -0.01432 151 2PY 0.06075 -0.33713 0.16146 0.06923 0.23766 152 2PZ -0.12510 0.23677 -0.04698 -0.12694 -0.11708 153 3S 0.64553 -0.66067 0.03016 0.46102 -0.68304 154 3PX 0.26554 -0.53526 -0.14817 0.14134 0.17572 155 3PY -0.16221 0.33584 -0.39267 -0.20957 -0.76965 156 3PZ 0.19563 -0.51817 -0.00476 0.06496 -0.15685 157 4XX 0.01626 -0.02779 0.02561 0.00531 0.05021 158 4YY -0.03597 0.06431 0.03870 -0.01181 -0.04350 159 4ZZ -0.01961 -0.00798 -0.02289 -0.02911 0.00401 160 4XY -0.01724 0.00327 0.01258 -0.01359 0.00559 161 4XZ -0.01729 -0.00246 0.01810 -0.01521 -0.00562 162 4YZ -0.04666 0.00513 0.00044 -0.05779 -0.00839 163 17 H 1S -0.08721 -0.00002 -0.00112 -0.02244 0.00000 164 2S -0.20516 -0.00018 0.09487 -0.00112 0.00003 165 18 H 1S -0.08734 -0.00002 0.10540 -0.19898 0.00008 166 2S -0.05849 -0.00002 0.14871 -0.19917 0.00008 167 19 O 1S 0.00312 -0.00518 0.00036 0.00266 0.00252 168 2S -0.02573 0.02869 0.01997 -0.06314 -0.05439 169 2PX -0.05923 0.07564 -0.00524 0.03002 -0.01941 170 2PY 0.10324 -0.09290 0.03115 0.13869 0.02634 171 2PZ -0.03145 0.05432 0.04680 -0.04788 0.04090 172 3S -0.12453 0.39307 -0.09116 0.00201 0.03972 173 3PX 0.10640 -0.16423 0.02278 0.05345 0.02375 174 3PY -0.01760 0.07620 0.03016 -0.02714 0.03785 175 3PZ 0.10300 -0.11044 0.00067 0.02965 0.03687 176 4XX -0.03162 0.05001 -0.00146 -0.03261 -0.03822 177 4YY -0.00102 -0.00501 0.00500 -0.02291 -0.00361 178 4ZZ -0.00324 0.00952 0.00513 -0.01440 -0.00612 179 4XY 0.01987 -0.01738 0.00224 0.02094 -0.00114 180 4XZ -0.03226 0.05519 0.00750 -0.01454 -0.01012 181 4YZ 0.00810 -0.01178 -0.00722 0.00976 -0.00319 182 20 H 1S 0.02458 -0.02264 0.06165 0.03827 0.04351 183 2S 0.03054 -0.10404 0.06976 0.06520 0.16973 184 21 H 1S 0.02451 0.02243 0.06172 0.03829 -0.04346 185 2S 0.03051 0.10379 0.07016 0.06546 -0.16983 186 22 H 1S -0.17112 -0.09505 0.00233 -0.28341 0.20256 187 2S 0.04866 0.04672 -0.18005 0.01040 0.24487 188 23 H 1S -0.17117 0.09539 0.00260 -0.28332 -0.20245 189 2S 0.04861 -0.04633 -0.18007 0.01030 -0.24498 81 82 83 84 85 V V V V V Eigenvalues -- 0.66309 0.67863 0.71283 0.72293 0.74094 1 1 C 1S 0.04388 -0.04068 -0.02180 -0.00066 0.02246 2 2S -0.18412 -0.01602 -0.19125 0.03952 -0.11316 3 2PX -0.42792 -0.01925 -0.02954 -0.14846 0.36932 4 2PY 0.24122 -0.19976 0.19014 -0.00913 0.10215 5 2PZ 0.16985 -0.06715 0.12730 0.11290 -0.23440 6 3S 0.68027 -0.05597 -0.49764 0.33055 0.35978 7 3PX 0.68474 0.01983 -0.17952 0.43475 -0.95781 8 3PY -0.61407 -0.00953 -0.28695 0.08006 -0.15933 9 3PZ -0.27665 0.18086 -0.44487 -0.17982 0.40889 10 4XX -0.01811 -0.00021 -0.01721 -0.00203 -0.00083 11 4YY 0.05568 -0.03387 -0.03657 0.00920 0.01783 12 4ZZ 0.00473 -0.01634 -0.01255 0.00319 -0.01675 13 4XY 0.00625 0.00961 -0.05108 0.03838 0.00899 14 4XZ 0.04063 -0.04481 -0.05958 0.00283 0.01290 15 4YZ 0.01271 0.00702 -0.03756 0.01358 0.00660 16 2 C 1S -0.01596 -0.00038 0.01540 0.00177 0.01016 17 2S 0.13199 -0.19974 -0.31505 -0.15350 0.06540 18 2PX -0.20698 0.02794 0.22061 0.27923 -0.33050 19 2PY -0.09175 0.21999 0.38879 -0.10199 0.03092 20 2PZ -0.16108 0.02607 0.03771 -0.57861 0.07899 21 3S -0.52206 0.56571 0.75141 0.51812 0.17579 22 3PX -0.05437 -0.06068 -0.79422 -0.18665 0.62046 23 3PY 0.31371 -0.59577 -0.95230 0.28768 -0.04436 24 3PZ 0.20163 -0.12252 -0.14152 1.37121 -0.13484 25 4XX 0.03423 -0.01574 -0.00043 0.00462 -0.00737 26 4YY -0.02155 -0.01495 0.02482 -0.04484 -0.00825 27 4ZZ -0.01795 0.02117 -0.01898 0.02189 0.03448 28 4XY -0.01044 -0.01117 -0.00612 -0.01330 0.01581 29 4XZ -0.03371 -0.00779 0.01103 0.00163 0.00905 30 4YZ -0.02063 -0.02493 0.01128 -0.01103 -0.00451 31 3 C 1S -0.01275 -0.02764 0.00405 -0.02146 -0.00405 32 2S 0.06146 0.31582 -0.10741 0.11662 0.02068 33 2PX 0.07099 0.01415 -0.09411 -0.04722 0.06430 34 2PY -0.29713 -0.45346 -0.08285 0.29163 0.06658 35 2PZ 0.11986 -0.24331 -0.14121 -0.10988 -0.12048 36 3S -0.24957 -1.09497 0.30099 -0.91079 0.10664 37 3PX -0.11585 0.11568 0.30530 0.18960 -0.20502 38 3PY 0.62682 1.47117 0.38916 -0.66666 -0.24655 39 3PZ -0.33522 0.97895 0.40948 0.37641 0.37338 40 4XX 0.01801 0.00982 -0.02295 0.03434 -0.00571 41 4YY -0.02990 -0.03741 0.01019 -0.01433 0.00689 42 4ZZ 0.00502 0.02596 0.00647 -0.04538 -0.00187 43 4XY -0.00144 -0.00090 -0.01800 0.02753 0.00016 44 4XZ -0.00003 0.01833 -0.01212 -0.00582 0.00857 45 4YZ 0.00860 0.00199 0.06660 -0.00364 -0.00245 46 4 C 1S 0.01275 0.02763 0.00405 -0.02146 0.00409 47 2S -0.06148 -0.31582 -0.10738 0.11659 -0.02067 48 2PX -0.07091 -0.01410 -0.09440 -0.04713 -0.06431 49 2PY -0.29714 -0.45360 0.08288 -0.29160 0.06696 50 2PZ -0.11988 0.24319 -0.14118 -0.10987 0.12095 51 3S 0.24957 1.09490 0.30094 -0.91079 -0.10540 52 3PX 0.11572 -0.11600 0.30609 0.18939 0.20490 53 3PY 0.62687 1.47161 -0.38956 0.66666 -0.24723 54 3PZ 0.33521 -0.97858 0.40926 0.37643 -0.37487 55 4XX -0.01801 -0.00982 -0.02296 0.03436 0.00568 56 4YY 0.02989 0.03740 0.01022 -0.01434 -0.00686 57 4ZZ -0.00502 -0.02595 0.00646 -0.04540 0.00195 58 4XY -0.00145 -0.00093 0.01800 -0.02753 0.00018 59 4XZ 0.00004 -0.01834 -0.01213 -0.00582 -0.00854 60 4YZ 0.00863 0.00203 -0.06661 0.00366 -0.00234 61 5 C 1S 0.01596 0.00040 0.01539 0.00176 -0.01016 62 2S -0.13193 0.19973 -0.31508 -0.15356 -0.06501 63 2PX 0.20705 -0.02791 0.22035 0.27949 0.33114 64 2PY -0.09175 0.22002 -0.38877 0.10207 0.03108 65 2PZ 0.16104 -0.02597 0.03752 -0.57867 -0.07810 66 3S 0.52181 -0.56591 0.75198 0.51778 -0.17650 67 3PX 0.05432 0.06078 -0.79429 -0.18666 -0.62181 68 3PY 0.31344 -0.59610 0.95247 -0.28805 -0.04453 69 3PZ -0.20151 0.12248 -0.14147 1.37143 0.13256 70 4XX -0.03422 0.01575 -0.00044 0.00463 0.00741 71 4YY 0.02156 0.01496 0.02482 -0.04487 0.00828 72 4ZZ 0.01794 -0.02117 -0.01897 0.02187 -0.03449 73 4XY -0.01045 -0.01118 0.00615 0.01328 0.01575 74 4XZ 0.03370 0.00779 0.01102 0.00163 -0.00899 75 4YZ -0.02063 -0.02493 -0.01127 0.01102 -0.00454 76 6 C 1S -0.04388 0.04066 -0.02178 -0.00066 -0.02252 77 2S 0.18407 0.01595 -0.19133 0.03953 0.11333 78 2PX 0.42780 0.01922 -0.02953 -0.14882 -0.36927 79 2PY 0.24110 -0.19987 -0.18995 0.00901 0.10183 80 2PZ -0.16974 0.06717 0.12712 0.11316 0.23478 81 3S -0.68017 0.05631 -0.49778 0.33083 -0.36109 82 3PX -0.68457 -0.01970 -0.18009 0.43583 0.95745 83 3PY -0.61383 -0.00941 0.28718 -0.08005 -0.15860 84 3PZ 0.27651 -0.18076 -0.44505 -0.17994 -0.40947 85 4XX 0.01809 0.00021 -0.01717 -0.00206 0.00080 86 4YY -0.05571 0.03385 -0.03662 0.00923 -0.01787 87 4ZZ -0.00470 0.01634 -0.01255 0.00319 0.01677 88 4XY 0.00622 0.00961 0.05107 -0.03837 0.00902 89 4XZ -0.04063 0.04480 -0.05955 0.00282 -0.01298 90 4YZ 0.01271 0.00700 0.03755 -0.01357 0.00665 91 7 H 1S 0.15104 -0.17453 -0.03547 -0.04073 0.03704 92 2S 0.04252 0.24952 -0.17658 0.10201 -0.11770 93 8 H 1S -0.14274 -0.13515 0.05771 -0.09198 -0.02545 94 2S 0.00290 0.13453 0.31163 -0.05813 0.02084 95 9 H 1S -0.02427 -0.14081 -0.07604 0.01290 -0.05497 96 2S -0.07956 -0.35721 -0.19625 -0.08560 0.07321 97 10 H 1S 0.02429 0.14091 -0.07619 0.01306 0.05518 98 2S 0.07964 0.35713 -0.19644 -0.08554 -0.07301 99 11 H 1S 0.14272 0.13515 0.05764 -0.09197 0.02560 100 2S -0.00302 -0.13466 0.31159 -0.05812 -0.02095 101 12 H 1S -0.15106 0.17446 -0.03550 -0.04068 -0.03739 102 2S -0.04245 -0.24941 -0.17679 0.10224 0.11778 103 13 C 1S -0.00160 -0.01345 0.00635 -0.01661 0.00627 104 2S 0.09425 0.02704 -0.16152 -0.11920 0.33762 105 2PX 0.29344 -0.08912 0.01223 -0.09393 0.31906 106 2PY -0.09450 -0.20690 -0.16807 -0.02574 -0.38107 107 2PZ -0.10988 -0.05387 -0.22051 0.06929 0.00957 108 3S -0.51522 -0.34659 0.49841 0.50479 -1.86999 109 3PX -0.68338 0.25204 0.15966 0.02797 -1.00509 110 3PY 0.32309 0.69184 0.37788 0.19770 1.04121 111 3PZ 0.05506 -0.03146 0.45959 0.00728 -0.60712 112 4XX 0.01615 0.03512 0.03097 -0.02274 0.01324 113 4YY -0.01973 -0.03974 0.00460 -0.01106 -0.05511 114 4ZZ -0.00313 -0.00451 -0.03595 0.00307 0.02737 115 4XY -0.00430 -0.00343 0.03107 0.02836 -0.01759 116 4XZ -0.00650 0.00723 0.00864 -0.00056 -0.00374 117 4YZ -0.00047 0.00722 -0.00738 0.00892 -0.00480 118 14 O 1S -0.00051 0.00501 0.00676 0.00639 -0.00806 119 2S -0.03361 -0.00152 -0.02270 0.00865 -0.04027 120 2PX 0.05317 -0.09552 -0.18951 -0.02528 0.09256 121 2PY 0.02597 -0.10272 -0.10306 -0.06961 0.07019 122 2PZ -0.00894 0.10320 0.08253 0.01063 -0.05270 123 3S 0.25036 -0.25321 -0.28672 -0.18783 0.61520 124 3PX -0.04270 0.08570 0.22139 0.10734 -0.24789 125 3PY -0.05040 0.05920 0.07823 0.06085 -0.16546 126 3PZ -0.06206 -0.02944 0.03332 0.01418 -0.09692 127 4XX -0.00803 -0.02371 -0.04355 0.00606 -0.00330 128 4YY -0.00430 0.01188 -0.00046 -0.00066 0.00725 129 4ZZ -0.00240 -0.00409 0.00703 0.00569 -0.02206 130 4XY 0.00575 0.00622 -0.00989 -0.00274 0.02695 131 4XZ 0.01986 -0.01618 -0.02284 -0.00368 0.03064 132 4YZ 0.02322 0.00584 -0.00951 -0.01710 0.04016 133 15 C 1S 0.00000 0.00000 -0.00782 -0.00062 -0.00001 134 2S -0.00001 -0.00008 -0.02791 0.03204 -0.00017 135 2PX 0.00000 0.00006 -0.14208 0.04271 0.00001 136 2PY -0.00690 -0.11718 -0.00006 0.00003 0.00317 137 2PZ 0.00000 -0.00009 0.19919 -0.00973 0.00000 138 3S 0.00003 0.00013 0.07491 -0.03202 0.00035 139 3PX 0.00001 -0.00009 0.55979 -0.11937 0.00016 140 3PY 0.02810 0.23173 0.00009 -0.00004 0.09580 141 3PZ 0.00005 0.00017 -0.30145 0.09417 0.00019 142 4XX 0.00000 0.00000 -0.01673 0.00899 -0.00001 143 4YY 0.00001 0.00000 0.00982 0.02204 -0.00004 144 4ZZ -0.00001 -0.00001 0.00294 -0.01697 0.00000 145 4XY 0.01311 -0.01827 -0.00001 0.00001 0.02575 146 4XZ 0.00001 0.00000 0.03375 0.01119 0.00002 147 4YZ 0.00173 -0.01544 0.00000 0.00001 0.01047 148 16 C 1S 0.00159 0.01345 0.00636 -0.01662 -0.00627 149 2S -0.09432 -0.02712 -0.16154 -0.11921 -0.33761 150 2PX -0.29350 0.08911 0.01242 -0.09415 -0.31950 151 2PY -0.09445 -0.20686 0.16820 0.02570 -0.38111 152 2PZ 0.10987 0.05375 -0.22060 0.06939 -0.00958 153 3S 0.51559 0.34674 0.49817 0.50497 1.87016 154 3PX 0.68347 -0.25197 0.15922 0.02855 1.00572 155 3PY 0.32283 0.69171 -0.37798 -0.19787 1.04115 156 3PZ -0.05495 0.03164 0.45950 0.00718 0.60745 157 4XX -0.01614 -0.03512 0.03096 -0.02273 -0.01324 158 4YY 0.01974 0.03974 0.00459 -0.01106 0.05510 159 4ZZ 0.00311 0.00450 -0.03594 0.00305 -0.02733 160 4XY -0.00431 -0.00343 -0.03107 -0.02836 -0.01762 161 4XZ 0.00650 -0.00723 0.00862 -0.00055 0.00379 162 4YZ -0.00049 0.00722 0.00739 -0.00892 -0.00469 163 17 H 1S -0.00002 0.00001 -0.21828 -0.02972 -0.00012 164 2S 0.00000 0.00003 -0.28165 0.08685 -0.00013 165 18 H 1S -0.00005 0.00001 -0.08971 -0.09414 -0.00010 166 2S -0.00002 -0.00011 0.25220 0.00826 -0.00015 167 19 O 1S 0.00051 -0.00501 0.00675 0.00640 0.00806 168 2S 0.03357 0.00150 -0.02280 0.00869 0.04018 169 2PX -0.05319 0.09553 -0.18941 -0.02538 -0.09277 170 2PY 0.02606 -0.10264 0.10302 0.06967 0.07013 171 2PZ 0.00894 -0.10324 0.08246 0.01077 0.05265 172 3S -0.25046 0.25316 -0.28632 -0.18818 -0.61531 173 3PX 0.04279 -0.08567 0.22126 0.10749 0.24811 174 3PY -0.05045 0.05917 -0.07820 -0.06091 -0.16549 175 3PZ 0.06209 0.02944 0.03330 0.01418 0.09699 176 4XX 0.00801 0.02369 -0.04357 0.00606 0.00325 177 4YY 0.00428 -0.01189 -0.00049 -0.00065 -0.00727 178 4ZZ 0.00240 0.00408 0.00701 0.00571 0.02204 179 4XY 0.00576 0.00622 0.00990 0.00274 0.02693 180 4XZ -0.01986 0.01617 -0.02284 -0.00369 -0.03069 181 4YZ 0.02323 0.00583 0.00949 0.01711 0.04015 182 20 H 1S 0.02150 0.19709 0.07256 -0.18935 -0.00220 183 2S 0.05713 0.36661 -0.28893 0.09138 0.09177 184 21 H 1S -0.02150 -0.19720 0.07250 -0.18920 0.00234 185 2S -0.05708 -0.36648 -0.28895 0.09130 -0.09128 186 22 H 1S -0.02611 -0.17401 0.04812 -0.06167 0.07861 187 2S -0.06712 -0.13580 0.01432 -0.06299 -0.39557 188 23 H 1S 0.02599 0.17395 0.04816 -0.06179 -0.07828 189 2S 0.06706 0.13577 0.01430 -0.06306 0.39527 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 0.02618 0.00436 0.01006 -0.00283 0.00896 2 2S -0.18335 -0.00526 0.02157 -0.10189 -0.01145 3 2PX 0.00074 -0.01305 0.15218 -0.00868 0.07134 4 2PY -0.17730 -0.09397 -0.07413 0.41291 -0.05470 5 2PZ -0.20928 -0.05870 -0.01441 0.05200 0.00637 6 3S 0.63320 0.79541 -0.00586 1.19761 0.04418 7 3PX 0.01951 0.23336 -0.20550 0.73943 -0.09522 8 3PY 0.45048 0.33691 0.08873 -0.93604 0.05489 9 3PZ 0.28774 0.28190 -0.06446 0.46146 -0.08854 10 4XX 0.01613 0.00733 0.01225 -0.02297 -0.00286 11 4YY 0.00611 0.01559 -0.00027 0.05610 -0.00165 12 4ZZ -0.01695 -0.00734 -0.00271 -0.02453 0.01068 13 4XY -0.00135 0.03612 -0.02547 -0.00654 -0.01309 14 4XZ 0.03204 0.01444 0.02361 -0.01563 0.01706 15 4YZ 0.01577 0.05233 -0.02053 -0.01720 -0.01247 16 2 C 1S -0.00364 0.00521 -0.00442 0.01244 -0.00370 17 2S -0.17605 0.08619 0.11675 -0.14765 -0.00285 18 2PX -0.41660 -0.21914 0.10493 0.33540 0.05448 19 2PY 0.22961 -0.15285 -0.07227 -0.01598 -0.06698 20 2PZ -0.27845 -0.08743 -0.02433 -0.12360 -0.05951 21 3S 0.19699 -0.49446 0.00121 -0.06487 0.16006 22 3PX 0.69293 0.69063 -0.20521 -0.06772 -0.08304 23 3PY -0.47357 0.59487 -0.02778 0.41786 0.08681 24 3PZ 0.77534 0.49103 0.10532 0.62932 0.13099 25 4XX -0.02388 0.01241 -0.01283 -0.01375 0.00264 26 4YY -0.00046 -0.00932 0.02460 -0.03471 0.00566 27 4ZZ -0.00085 -0.00541 -0.00010 0.03135 -0.01210 28 4XY -0.03312 -0.02533 0.01055 0.02773 -0.00225 29 4XZ -0.03610 0.00902 0.00064 -0.01365 0.00640 30 4YZ -0.01606 -0.00938 0.00112 0.00120 0.00265 31 3 C 1S -0.01431 -0.00145 0.01023 -0.00337 0.00161 32 2S -0.07856 -0.05336 0.08782 0.05474 0.13053 33 2PX 0.00168 0.01245 -0.00145 0.02156 0.23559 34 2PY 0.08168 0.14045 -0.03167 0.15133 0.02861 35 2PZ -0.19757 -0.00084 0.01154 -0.04062 -0.00140 36 3S -0.21563 -0.31083 -0.24852 0.06140 -0.33477 37 3PX 0.06465 -0.22112 0.12724 -0.26927 -0.25738 38 3PY -0.03290 -0.42757 -0.07755 -0.90993 -0.14186 39 3PZ 0.71017 0.01481 -0.13315 0.16196 -0.05261 40 4XX -0.00972 0.01233 0.01485 0.03260 -0.00050 41 4YY -0.00113 -0.03899 -0.00646 0.01820 0.00513 42 4ZZ -0.02405 0.00856 0.01127 -0.04476 0.01805 43 4XY -0.00159 0.01418 -0.05776 0.01104 -0.06494 44 4XZ -0.01087 -0.03289 -0.02161 0.05816 -0.03926 45 4YZ 0.06527 -0.02028 0.01701 -0.00415 0.01556 46 4 C 1S -0.01430 -0.00144 0.01022 0.00339 0.00161 47 2S -0.07861 -0.05339 0.08783 -0.05455 0.13041 48 2PX 0.00132 0.01267 -0.00151 -0.02171 0.23519 49 2PY -0.08151 -0.14037 0.03148 0.15115 -0.02892 50 2PZ -0.19743 -0.00079 0.01144 0.04071 -0.00169 51 3S -0.21591 -0.31079 -0.24809 -0.06282 -0.33425 52 3PX 0.06581 -0.22203 0.12718 0.26954 -0.25604 53 3PY 0.03210 0.42745 0.07863 -0.90880 0.14337 54 3PZ 0.70959 0.01467 -0.13316 -0.16241 -0.05171 55 4XX -0.00972 0.01234 0.01485 -0.03257 -0.00054 56 4YY -0.00112 -0.03900 -0.00643 -0.01825 0.00517 57 4ZZ -0.02406 0.00857 0.01124 0.04479 0.01804 58 4XY 0.00158 -0.01418 0.05776 0.01105 0.06494 59 4XZ -0.01092 -0.03286 -0.02157 -0.05818 -0.03927 60 4YZ -0.06528 0.02027 -0.01703 -0.00414 -0.01560 61 5 C 1S -0.00366 0.00522 -0.00440 -0.01244 -0.00369 62 2S -0.17622 0.08623 0.11659 0.14786 -0.00306 63 2PX -0.41614 -0.21891 0.10516 -0.33524 0.05455 64 2PY -0.22943 0.15289 0.07240 -0.01547 0.06710 65 2PZ -0.27860 -0.08719 -0.02457 0.12331 -0.05988 66 3S 0.19708 -0.49507 0.00091 0.06453 0.16051 67 3PX 0.69181 0.69075 -0.20522 0.06816 -0.08323 68 3PY 0.47339 -0.59515 0.02680 0.41676 -0.08747 69 3PZ 0.77553 0.49046 0.10608 -0.62769 0.13250 70 4XX -0.02386 0.01242 -0.01284 0.01379 0.00265 71 4YY -0.00045 -0.00932 0.02459 0.03468 0.00566 72 4ZZ -0.00091 -0.00541 -0.00008 -0.03136 -0.01211 73 4XY 0.03317 0.02528 -0.01054 0.02774 0.00230 74 4XZ -0.03610 0.00903 0.00062 0.01367 0.00640 75 4YZ 0.01606 0.00937 -0.00111 0.00123 -0.00262 76 6 C 1S 0.02613 0.00436 0.01006 0.00283 0.00895 77 2S -0.18308 -0.00525 0.02150 0.10202 -0.01142 78 2PX 0.00018 -0.01294 0.15212 0.00882 0.07114 79 2PY 0.17764 0.09363 0.07390 0.41302 0.05484 80 2PZ -0.20889 -0.05863 -0.01439 -0.05192 0.00640 81 3S 0.63209 0.79569 -0.00449 -1.19645 0.04479 82 3PX 0.02086 0.23350 -0.20459 -0.73913 -0.09419 83 3PY -0.45096 -0.33660 -0.08796 -0.93629 -0.05503 84 3PZ 0.28682 0.28229 -0.06396 -0.46142 -0.08851 85 4XX 0.01614 0.00729 0.01225 0.02296 -0.00284 86 4YY 0.00607 0.01566 -0.00025 -0.05607 -0.00167 87 4ZZ -0.01692 -0.00736 -0.00271 0.02454 0.01070 88 4XY 0.00136 -0.03610 0.02547 -0.00661 0.01308 89 4XZ 0.03201 0.01441 0.02363 0.01563 0.01707 90 4YZ -0.01577 -0.05231 0.02053 -0.01730 0.01245 91 7 H 1S 0.18831 -0.11643 0.15088 0.07352 0.09847 92 2S -0.12504 0.15290 -0.24639 0.49980 -0.18198 93 8 H 1S -0.07064 -0.02065 0.08793 0.06264 0.03393 94 2S 0.19749 -0.22025 -0.03792 -0.13065 -0.09548 95 9 H 1S -0.13401 -0.00819 -0.02905 0.24528 -0.17431 96 2S -0.19832 0.24903 0.11649 0.14626 0.40924 97 10 H 1S -0.13396 -0.00801 -0.02889 -0.24509 -0.17431 98 2S -0.19868 0.24943 0.11653 -0.14612 0.40865 99 11 H 1S -0.07054 -0.02051 0.08798 -0.06260 0.03394 100 2S 0.19745 -0.22027 -0.03835 0.13010 -0.09583 101 12 H 1S 0.18821 -0.11636 0.15093 -0.07374 0.09844 102 2S -0.12490 0.15317 -0.24593 -0.49958 -0.18176 103 13 C 1S 0.00559 0.01482 0.00122 -0.00874 -0.00526 104 2S -0.00617 -0.01724 0.27395 0.08449 0.14435 105 2PX 0.28122 0.13349 0.14391 -0.02134 0.03745 106 2PY -0.05746 0.10272 -0.08550 -0.32559 0.01264 107 2PZ -0.11518 -0.16834 0.21068 0.30754 0.05147 108 3S -0.21231 -0.44552 -0.11533 -0.86616 -0.18056 109 3PX -0.33124 -0.19955 -0.32601 -0.36692 -0.11963 110 3PY 0.05478 -0.51316 0.27693 1.44340 -0.02873 111 3PZ -0.00441 0.29689 -0.38675 -0.97816 -0.01472 112 4XX 0.00320 0.00245 -0.01606 0.01516 0.01445 113 4YY 0.00794 -0.02456 0.04110 -0.05819 0.01680 114 4ZZ -0.02583 0.03922 -0.00115 0.00839 -0.02627 115 4XY -0.01245 -0.03729 0.04760 -0.00417 0.00168 116 4XZ -0.03422 0.04485 0.02649 0.01007 0.01017 117 4YZ 0.04436 -0.01523 0.05744 -0.00393 0.01680 118 14 O 1S -0.00229 -0.00474 0.01091 0.00258 0.00368 119 2S 0.03321 -0.20405 -0.12844 0.00826 -0.03425 120 2PX 0.11628 -0.16468 -0.11464 -0.09445 0.05639 121 2PY -0.05486 0.07712 -0.16280 -0.01585 -0.03950 122 2PZ 0.04609 -0.10428 -0.05927 0.13493 -0.09397 123 3S 0.08810 0.47818 0.21380 0.13081 0.07253 124 3PX -0.14098 -0.04397 0.13160 0.04624 -0.14502 125 3PY 0.01043 -0.00142 0.14889 -0.08605 0.04979 126 3PZ -0.08625 0.10602 0.00520 -0.07978 0.17218 127 4XX 0.02036 -0.04575 0.02148 0.00031 -0.03046 128 4YY -0.00069 -0.05654 -0.09101 0.03290 -0.02238 129 4ZZ 0.01121 -0.08587 -0.03367 -0.01162 0.03294 130 4XY -0.01724 0.00914 -0.03646 0.03031 0.03029 131 4XZ 0.02295 -0.01173 0.05256 0.01334 0.01926 132 4YZ 0.00367 0.03769 -0.00779 0.00412 -0.03299 133 15 C 1S 0.01846 -0.04871 -0.04322 -0.00002 -0.00669 134 2S 0.14077 -0.18597 0.30349 0.00008 0.08018 135 2PX -0.00283 -0.23807 0.30688 0.00007 -0.52058 136 2PY 0.00001 -0.00003 0.00002 -0.03512 -0.00007 137 2PZ -0.03257 0.29845 -0.13188 -0.00002 0.54411 138 3S -0.29019 0.54552 -0.33298 -0.00008 -0.08124 139 3PX -0.17797 1.11618 -0.90255 -0.00008 0.97894 140 3PY 0.00009 0.00007 0.00000 0.07328 0.00018 141 3PZ -0.18596 -0.59063 0.07617 -0.00001 -1.15785 142 4XX -0.00502 -0.09614 -0.12722 -0.00006 0.12256 143 4YY 0.04204 -0.04459 0.11339 0.00002 0.02799 144 4ZZ 0.01958 0.04281 0.01560 0.00003 -0.14222 145 4XY 0.00002 0.00000 0.00000 0.00191 0.00001 146 4XZ -0.01850 0.03492 -0.02842 0.00000 -0.01310 147 4YZ 0.00001 -0.00002 0.00002 -0.00208 0.00003 148 16 C 1S 0.00558 0.01482 0.00121 0.00873 -0.00526 149 2S -0.00688 -0.01717 0.27398 -0.08443 0.14424 150 2PX 0.28067 0.13336 0.14394 0.02135 0.03757 151 2PY 0.05664 -0.10272 0.08570 -0.32554 -0.01259 152 2PZ -0.11529 -0.16818 0.21080 -0.30742 0.05119 153 3S -0.20831 -0.44542 -0.11582 0.86621 -0.18014 154 3PX -0.32932 -0.19919 -0.32637 0.36663 -0.11983 155 3PY -0.05224 0.51312 -0.27771 1.44323 0.02890 156 3PZ -0.00288 0.29671 -0.38714 0.97817 -0.01374 157 4XX 0.00317 0.00246 -0.01606 -0.01523 0.01443 158 4YY 0.00809 -0.02456 0.04108 0.05818 0.01680 159 4ZZ -0.02590 0.03922 -0.00116 -0.00833 -0.02626 160 4XY 0.01242 0.03728 -0.04760 -0.00416 -0.00169 161 4XZ -0.03422 0.04487 0.02649 -0.01004 0.01017 162 4YZ -0.04437 0.01521 -0.05743 -0.00395 -0.01678 163 17 H 1S 0.10116 -0.57527 -0.60240 -0.00029 0.47700 164 2S 0.15675 -0.46903 1.17530 0.00032 -1.23453 165 18 H 1S 0.17108 -0.09012 -0.07284 0.00002 -0.56964 166 2S 0.10701 0.21433 -0.18148 -0.00009 1.38319 167 19 O 1S -0.00228 -0.00473 0.01091 -0.00258 0.00369 168 2S 0.03334 -0.20397 -0.12849 -0.00836 -0.03433 169 2PX 0.11611 -0.16479 -0.11464 0.09440 0.05648 170 2PY 0.05495 -0.07713 0.16285 -0.01581 0.03957 171 2PZ 0.04619 -0.10420 -0.05922 -0.13502 -0.09407 172 3S 0.08680 0.47796 0.21397 -0.13050 0.07246 173 3PX -0.14050 -0.04385 0.13161 -0.04626 -0.14496 174 3PY -0.01074 0.00140 -0.14887 -0.08605 -0.04991 175 3PZ -0.08609 0.10602 0.00515 0.07982 0.17221 176 4XX 0.02039 -0.04572 0.02147 -0.00027 -0.03049 177 4YY -0.00071 -0.05650 -0.09100 -0.03295 -0.02241 178 4ZZ 0.01127 -0.08585 -0.03369 0.01156 0.03292 179 4XY 0.01729 -0.00915 0.03644 0.03033 -0.03028 180 4XZ 0.02290 -0.01172 0.05257 -0.01331 0.01922 181 4YZ -0.00359 -0.03768 0.00777 0.00411 0.03297 182 20 H 1S -0.04961 0.00844 0.28222 0.21568 0.26243 183 2S -0.31906 -0.06026 -0.05661 -0.23105 -0.26236 184 21 H 1S -0.04970 0.00853 0.28234 -0.21539 0.26243 185 2S -0.31919 -0.06021 -0.05685 0.23128 -0.26268 186 22 H 1S -0.17328 0.27522 -0.17708 0.01101 -0.05901 187 2S 0.20525 0.17702 -0.06788 -0.86379 0.13305 188 23 H 1S -0.17342 0.27519 -0.17705 -0.01098 -0.05896 189 2S 0.20629 0.17692 -0.06833 0.86367 0.13345 91 92 93 94 95 V V V V V Eigenvalues -- 0.82847 0.84211 0.85443 0.86450 0.88061 1 1 C 1S 0.01250 0.00743 0.02295 -0.00877 -0.01513 2 2S -0.12975 -0.05242 -0.05664 0.18457 0.32588 3 2PX 0.04664 -0.08921 0.20724 -0.12040 -0.21599 4 2PY 0.15777 0.05245 -0.41087 -0.00787 0.21226 5 2PZ -0.15137 -0.08413 0.50875 -0.14666 -0.31976 6 3S 0.51882 -0.45056 -1.39791 -0.44341 -0.68990 7 3PX -0.14463 0.06098 -1.00453 0.16103 0.50324 8 3PY -0.33232 -0.38387 1.91112 -0.43819 -0.43536 9 3PZ 0.87794 0.24539 -1.78114 0.55067 0.66113 10 4XX -0.01217 0.01699 0.00078 0.01960 0.00477 11 4YY 0.01566 -0.02272 -0.07392 0.00900 0.02090 12 4ZZ 0.00371 -0.00332 0.02507 0.00447 0.02015 13 4XY -0.00720 0.01073 -0.02290 0.00054 0.06034 14 4XZ 0.01640 0.01267 0.02857 0.00402 -0.02712 15 4YZ -0.01600 -0.04156 -0.02387 0.00123 0.04444 16 2 C 1S -0.00195 0.00722 0.00749 -0.00085 0.00291 17 2S 0.10202 0.10684 -0.08920 0.16353 0.10409 18 2PX -0.12940 -0.06485 0.00978 -0.08900 0.07352 19 2PY -0.17583 0.05009 -0.00851 -0.09074 -0.05742 20 2PZ 0.30204 0.03936 -0.01405 0.21702 -0.02440 21 3S -1.31994 -0.35556 0.73769 -0.80228 -0.42127 22 3PX 0.67173 -0.13440 -0.15286 -0.31724 0.01931 23 3PY 0.65150 -0.02261 -0.58086 0.31005 0.33037 24 3PZ -1.45809 -0.65582 0.10349 -0.98676 -0.13602 25 4XX -0.02343 -0.03791 -0.02421 -0.01859 -0.00874 26 4YY 0.02315 0.00522 0.06657 0.02636 0.01667 27 4ZZ -0.02706 0.05429 -0.03688 0.00014 -0.00776 28 4XY 0.02865 0.01261 0.03636 0.01204 -0.01118 29 4XZ -0.02592 -0.01194 0.00299 -0.00971 0.01888 30 4YZ 0.00489 0.00139 0.02490 -0.01340 -0.01343 31 3 C 1S 0.00423 -0.02741 -0.01106 -0.00277 0.00149 32 2S -0.03675 0.15838 0.09051 0.01932 -0.21344 33 2PX 0.44409 0.14802 0.10360 -0.52818 0.14466 34 2PY -0.27025 0.00842 -0.08191 -0.16917 -0.08285 35 2PZ 0.19329 -0.03830 0.05199 0.28769 -0.07675 36 3S 0.28399 0.53427 -0.55436 0.23661 0.68672 37 3PX -1.76145 -0.16832 -0.19832 1.46100 -0.22987 38 3PY 1.12552 0.41232 0.23538 0.90731 0.27330 39 3PZ -1.14769 0.00200 -0.22338 -1.25966 0.15436 40 4XX 0.01212 -0.05665 -0.00739 0.00072 -0.03144 41 4YY -0.02303 0.07265 -0.00058 -0.01251 -0.01315 42 4ZZ 0.01968 0.00385 -0.00272 0.01608 0.02265 43 4XY -0.00126 -0.00803 -0.00340 0.01746 -0.00908 44 4XZ 0.03416 0.05677 -0.02079 0.05666 0.00052 45 4YZ -0.00517 -0.03142 0.00385 -0.00884 0.02757 46 4 C 1S -0.00422 -0.02740 0.01106 0.00279 0.00149 47 2S 0.03648 0.15845 -0.09063 -0.01917 -0.21338 48 2PX -0.44442 0.14802 -0.10354 0.52773 0.14525 49 2PY -0.27030 -0.00861 -0.08190 -0.16904 0.08271 50 2PZ -0.19325 -0.03858 -0.05202 -0.28772 -0.07691 51 3S -0.28382 0.53358 0.55461 -0.23760 0.68648 52 3PX 1.76180 -0.16771 0.19818 -1.46033 -0.23125 53 3PY 1.12583 -0.41153 0.23534 0.90694 -0.27248 54 3PZ 1.14753 0.00334 0.22340 1.26027 0.15497 55 4XX -0.01209 -0.05664 0.00740 -0.00067 -0.03147 56 4YY 0.02295 0.07265 0.00056 0.01254 -0.01312 57 4ZZ -0.01968 0.00383 0.00270 -0.01611 0.02265 58 4XY -0.00130 0.00802 -0.00340 0.01740 0.00911 59 4XZ -0.03415 0.05671 0.02078 -0.05666 0.00047 60 4YZ -0.00513 0.03144 0.00385 -0.00880 -0.02758 61 5 C 1S 0.00196 0.00720 -0.00750 0.00083 0.00289 62 2S -0.10215 0.10685 0.08910 -0.16349 0.10432 63 2PX 0.12917 -0.06498 -0.00977 0.08900 0.07354 64 2PY -0.17529 -0.05041 -0.00846 -0.09118 0.05718 65 2PZ -0.30213 0.03903 0.01406 -0.21696 -0.02461 66 3S 1.31959 -0.35442 -0.73751 0.80304 -0.42231 67 3PX -0.67035 -0.13459 0.15278 0.31719 0.01985 68 3PY 0.64947 0.02393 -0.58108 0.31163 -0.33001 69 3PZ 1.45884 -0.65437 -0.10366 0.98683 -0.13515 70 4XX 0.02345 -0.03785 0.02422 0.01863 -0.00870 71 4YY -0.02319 0.00517 -0.06660 -0.02641 0.01660 72 4ZZ 0.02702 0.05431 0.03689 -0.00012 -0.00773 73 4XY 0.02866 -0.01254 0.03633 0.01202 0.01122 74 4XZ 0.02592 -0.01191 -0.00299 0.00973 0.01889 75 4YZ 0.00490 -0.00140 0.02487 -0.01347 0.01345 76 6 C 1S -0.01252 0.00742 -0.02295 0.00879 -0.01514 77 2S 0.12984 -0.05234 0.05659 -0.18440 0.32584 78 2PX -0.04680 -0.08927 -0.20736 0.12078 -0.21627 79 2PY 0.15766 -0.05211 -0.41075 -0.00770 -0.21218 80 2PZ 0.15123 -0.08409 -0.50878 0.14716 -0.32001 81 3S -0.51780 -0.45138 1.39796 0.44315 -0.68936 82 3PX 0.14545 0.06090 1.00496 -0.16226 0.50439 83 3PY -0.33222 0.38289 1.91068 -0.43870 0.43489 84 3PZ -0.87716 0.24454 1.78139 -0.55197 0.66200 85 4XX 0.01216 0.01700 -0.00080 -0.01958 0.00475 86 4YY -0.01565 -0.02276 0.07392 -0.00895 0.02094 87 4ZZ -0.00368 -0.00331 -0.02506 -0.00453 0.02014 88 4XY -0.00729 -0.01076 -0.02289 0.00063 -0.06036 89 4XZ -0.01642 0.01266 -0.02858 -0.00399 -0.02715 90 4YZ -0.01609 0.04152 -0.02384 0.00128 -0.04446 91 7 H 1S 0.02178 0.18752 0.33066 -0.12643 -0.30959 92 2S 0.21041 0.14434 -1.68735 0.54958 1.02835 93 8 H 1S 0.12862 -0.00635 0.09358 0.03775 0.09076 94 2S -0.41223 0.07159 -0.04038 -0.16052 -0.21924 95 9 H 1S 0.04830 -0.26717 -0.07577 0.13762 -0.10309 96 2S 0.75538 -0.00784 0.29972 -0.96016 0.01204 97 10 H 1S -0.04810 -0.26731 0.07572 -0.13715 -0.10342 98 2S -0.75568 -0.00807 -0.29966 0.95981 0.01332 99 11 H 1S -0.12852 -0.00666 -0.09361 -0.03806 0.09051 100 2S 0.41115 0.07244 0.04021 0.16181 -0.21853 101 12 H 1S -0.02219 0.18746 -0.33068 0.12672 -0.30971 102 2S -0.20949 0.14390 1.68736 -0.55090 1.02900 103 13 C 1S 0.00555 0.01307 0.00609 0.01816 -0.01109 104 2S -0.01077 -0.08961 -0.07054 -0.16374 0.50895 105 2PX -0.16020 0.04947 0.02514 0.00046 -0.05705 106 2PY 0.21290 -0.00319 -0.25668 -0.16923 0.25847 107 2PZ 0.22356 0.06627 0.29155 0.28220 -0.26233 108 3S 0.49643 0.22686 -0.51301 -0.15132 -1.11561 109 3PX 0.46922 -0.01254 -0.26967 -0.03934 0.20847 110 3PY -0.67159 0.03898 1.14503 0.74904 -0.63961 111 3PZ -0.70247 -0.11085 -1.05193 -0.96393 0.66061 112 4XX 0.00817 0.04416 -0.01360 -0.03289 0.03620 113 4YY 0.03559 -0.02121 -0.04282 -0.02816 0.02241 114 4ZZ -0.02527 0.01325 0.01393 0.03294 0.01207 115 4XY -0.00255 0.00435 -0.00560 -0.00749 0.06122 116 4XZ -0.00363 0.06527 0.00795 0.00120 -0.00483 117 4YZ 0.01168 -0.03943 -0.01751 -0.02243 0.06396 118 14 O 1S -0.00237 0.00789 -0.00258 -0.00554 0.01245 119 2S 0.06285 -0.25676 -0.07321 -0.04115 0.02687 120 2PX -0.06070 -0.11462 0.02357 0.03452 -0.04242 121 2PY 0.04029 -0.16496 -0.01466 0.06051 -0.12145 122 2PZ 0.06631 -0.17193 -0.01510 -0.05703 0.02555 123 3S -0.00301 0.07252 0.34702 0.21153 -0.26360 124 3PX -0.04199 0.21798 -0.09157 -0.12902 0.10918 125 3PY -0.00254 0.33380 -0.07978 -0.14773 0.35103 126 3PZ 0.01071 0.08139 0.06611 0.10989 -0.06773 127 4XX 0.02117 -0.09697 -0.02555 0.00555 0.02677 128 4YY 0.00195 -0.08519 -0.00190 -0.01517 -0.03012 129 4ZZ 0.02917 -0.06048 -0.03116 -0.02669 0.02921 130 4XY -0.00182 0.04627 0.02085 0.02517 -0.00423 131 4XZ 0.01733 -0.02514 -0.00443 -0.02153 0.01475 132 4YZ -0.00593 0.01656 0.00430 -0.00001 -0.01256 133 15 C 1S 0.00000 -0.03048 0.00000 0.00000 0.01446 134 2S 0.00013 -0.59696 0.00009 0.00014 -0.09439 135 2PX 0.00015 0.17545 0.00010 -0.00012 -0.01069 136 2PY 0.01727 0.00003 0.01734 -0.05022 -0.00004 137 2PZ -0.00010 -0.18820 -0.00003 0.00014 -0.08004 138 3S -0.00042 1.37956 -0.00026 -0.00033 0.36098 139 3PX 0.00004 -0.66896 -0.00017 0.00037 -0.14461 140 3PY -0.02806 -0.00009 -0.07675 0.08532 0.00014 141 3PZ 0.00039 0.38108 0.00020 -0.00031 -0.06948 142 4XX -0.00007 0.03394 0.00000 -0.00001 0.00608 143 4YY -0.00004 -0.03073 -0.00001 0.00001 0.02722 144 4ZZ 0.00011 -0.08760 0.00002 0.00000 -0.00014 145 4XY -0.00196 0.00000 -0.00514 0.02282 0.00002 146 4XZ 0.00003 0.00033 0.00001 -0.00001 -0.04137 147 4YZ 0.01319 0.00002 0.00650 0.01570 0.00000 148 16 C 1S -0.00555 0.01307 -0.00609 -0.01816 -0.01110 149 2S 0.01052 -0.08951 0.07034 0.16395 0.50892 150 2PX 0.16007 0.04961 -0.02524 -0.00038 -0.05707 151 2PY 0.21291 0.00316 -0.25657 -0.16925 -0.25844 152 2PZ -0.22364 0.06590 -0.29153 -0.28243 -0.26219 153 3S -0.49655 0.22652 0.51346 0.15068 -1.11520 154 3PX -0.46905 -0.01287 0.26983 0.03930 0.20853 155 3PY -0.67143 -0.03881 1.14464 0.74907 0.63958 156 3PZ 0.70238 -0.10981 1.05206 0.96437 0.66034 157 4XX -0.00823 0.04416 0.01359 0.03292 0.03620 158 4YY -0.03562 -0.02123 0.04281 0.02818 0.02243 159 4ZZ 0.02532 0.01328 -0.01394 -0.03297 0.01204 160 4XY -0.00247 -0.00437 -0.00558 -0.00750 -0.06122 161 4XZ 0.00360 0.06527 -0.00796 -0.00126 -0.00483 162 4YZ 0.01166 0.03942 -0.01747 -0.02246 -0.06395 163 17 H 1S -0.00031 0.03581 -0.00006 -0.00002 0.07718 164 2S 0.00047 -0.04227 0.00025 -0.00017 -0.07142 165 18 H 1S 0.00029 -0.26634 0.00001 -0.00004 0.15205 166 2S -0.00046 -0.39451 -0.00011 0.00034 -0.15710 167 19 O 1S 0.00235 0.00789 0.00258 0.00554 0.01246 168 2S -0.06270 -0.25678 0.07327 0.04129 0.02686 169 2PX 0.06075 -0.11459 -0.02359 -0.03453 -0.04237 170 2PY 0.03997 0.16506 -0.01477 0.06037 0.12149 171 2PZ -0.06617 -0.17192 0.01514 0.05714 0.02550 172 3S 0.00322 0.07242 -0.34710 -0.21157 -0.26350 173 3PX 0.04183 0.21801 0.09165 0.12893 0.10916 174 3PY -0.00204 -0.33392 -0.07959 -0.14753 -0.35110 175 3PZ -0.01085 0.08121 -0.06615 -0.10996 -0.06767 176 4XX -0.02109 -0.09697 0.02556 -0.00551 0.02676 177 4YY -0.00186 -0.08518 0.00194 0.01519 -0.03011 178 4ZZ -0.02921 -0.06050 0.03117 0.02675 0.02922 179 4XY -0.00177 -0.04625 0.02086 0.02518 0.00423 180 4XZ -0.01736 -0.02516 0.00442 0.02156 0.01476 181 4YZ -0.00597 -0.01658 0.00429 0.00000 0.01255 182 20 H 1S -0.04178 -0.34969 -0.07770 0.18897 0.05106 183 2S 0.37848 0.12303 0.04864 -1.11114 -0.40974 184 21 H 1S 0.04177 -0.34989 0.07776 -0.18915 0.05076 185 2S -0.37835 0.12340 -0.04883 1.11176 -0.40882 186 22 H 1S -0.08084 0.10603 0.17418 0.29640 -0.25889 187 2S -0.10135 -0.29810 -1.03435 -1.00987 1.13673 188 23 H 1S 0.08100 0.10596 -0.17412 -0.29658 -0.25882 189 2S 0.10131 -0.29741 1.03404 1.01046 1.13647 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 -0.01248 0.00094 -0.00704 -0.00839 -0.00500 2 2S -0.09855 -0.10430 0.11903 0.22262 -0.10253 3 2PX -0.21701 -0.18994 -0.33473 -0.08960 0.06204 4 2PY 0.10873 -0.10740 -0.16568 0.19095 -0.06369 5 2PZ -0.25400 -0.20715 -0.27888 -0.25474 -0.00489 6 3S 0.08883 1.06513 -0.04546 -0.90069 0.46176 7 3PX 0.56132 1.31053 1.38472 0.31200 0.05057 8 3PY -0.29177 0.61510 1.08391 -0.73553 0.14776 9 3PZ 0.61629 1.24344 1.13790 0.67327 0.08954 10 4XX -0.00110 0.02075 0.02332 0.04777 0.01912 11 4YY -0.02535 -0.02181 -0.01028 -0.00917 -0.01483 12 4ZZ 0.02222 0.02119 0.01912 -0.00777 -0.02186 13 4XY 0.03489 -0.00740 0.03029 0.00217 -0.02178 14 4XZ -0.02852 0.03786 0.00101 -0.00086 0.00504 15 4YZ 0.03863 -0.00313 0.02884 -0.00364 0.01501 16 2 C 1S 0.00171 0.02139 -0.02360 0.01639 0.00614 17 2S -0.16757 -0.37640 0.21029 -0.23062 -0.11120 18 2PX -0.05277 -0.12862 -0.11752 -0.05368 0.01981 19 2PY -0.19816 -0.62106 0.14194 -0.23604 -0.26348 20 2PZ -0.04130 -0.12088 -0.21384 0.06374 -0.02683 21 3S -0.05870 -0.01058 -1.22511 0.36658 0.31416 22 3PX 0.16306 0.88455 0.94876 -0.23004 0.03686 23 3PY 0.67996 1.87453 -0.13582 0.79220 0.44592 24 3PZ 0.04149 0.93896 1.13533 -0.41078 0.33639 25 4XX -0.01936 -0.06480 0.01693 -0.05982 -0.03330 26 4YY 0.00785 0.07720 -0.04749 0.01932 0.04421 27 4ZZ -0.02806 -0.06095 0.02154 0.01070 -0.02963 28 4XY -0.00756 -0.03117 -0.04842 0.01337 -0.00576 29 4XZ -0.02241 -0.02838 -0.00815 -0.03226 -0.00732 30 4YZ -0.03188 -0.05475 -0.02210 0.00044 -0.01768 31 3 C 1S -0.00450 0.00096 -0.00613 -0.00794 0.01277 32 2S -0.25180 -0.11460 0.07347 0.11595 0.04810 33 2PX 0.16288 -0.01427 0.31266 -0.45792 -0.26029 34 2PY -0.05600 0.04101 0.17684 -0.02623 -0.05503 35 2PZ -0.20727 -0.24405 -0.06666 0.10699 -0.08731 36 3S 0.65294 0.53412 -0.30379 0.28211 -0.28334 37 3PX -0.12313 0.05311 -0.62385 0.85922 0.44132 38 3PY 0.10719 -0.60686 -0.91153 0.16114 -0.14835 39 3PZ 0.22279 0.89865 0.51346 -0.35072 0.06883 40 4XX -0.02779 -0.01928 -0.02328 0.00421 0.02412 41 4YY -0.04036 -0.00746 0.01677 0.03688 -0.02475 42 4ZZ 0.01927 0.02131 0.00678 -0.01725 0.01584 43 4XY -0.06986 0.01020 -0.01411 0.01027 0.01562 44 4XZ -0.01380 0.00979 -0.03613 0.07606 0.01082 45 4YZ 0.05806 0.04984 0.00003 0.00326 0.02985 46 4 C 1S -0.00448 -0.00110 0.00612 -0.00793 0.01276 47 2S -0.25544 0.10585 -0.07406 0.11588 0.04857 48 2PX 0.16362 0.02000 -0.31196 -0.45795 -0.26009 49 2PY 0.05422 0.04293 0.17702 0.02630 0.05491 50 2PZ -0.21592 0.23671 0.06631 0.10726 -0.08719 51 3S 0.67035 -0.51156 0.30573 0.28230 -0.28406 52 3PX -0.12484 -0.05742 0.62297 0.85879 0.44109 53 3PY -0.08396 -0.60994 -0.91194 -0.16144 0.14833 54 3PZ 0.25480 -0.89036 -0.51318 -0.35196 0.06868 55 4XX -0.02850 0.01832 0.02320 0.00430 0.02407 56 4YY -0.04052 0.00602 -0.01684 0.03687 -0.02471 57 4ZZ 0.01997 -0.02059 -0.00672 -0.01732 0.01592 58 4XY 0.06951 0.01265 -0.01396 -0.01031 -0.01561 59 4XZ -0.01355 -0.01031 0.03608 0.07608 0.01081 60 4YZ -0.05978 0.04776 -0.00009 -0.00322 -0.02986 61 5 C 1S 0.00242 -0.02133 0.02360 0.01638 0.00616 62 2S -0.18032 0.37037 -0.21051 -0.23060 -0.11141 63 2PX -0.05728 0.12670 0.11765 -0.05373 0.02011 64 2PY 0.21925 -0.61397 0.14231 0.23603 0.26376 65 2PZ -0.04596 0.11920 0.21376 0.06390 -0.02674 66 3S -0.06109 0.00879 1.22484 0.36641 0.31519 67 3PX 0.19554 -0.87829 -0.94879 -0.23012 0.03597 68 3PY -0.74437 1.85081 -0.13680 -0.79216 -0.44667 69 3PZ 0.07610 -0.93615 -1.13552 -0.41162 0.33584 70 4XX -0.02154 0.06410 -0.01700 -0.05984 -0.03333 71 4YY 0.01039 -0.07683 0.04755 0.01930 0.04422 72 4ZZ -0.03012 0.05989 -0.02161 0.01072 -0.02961 73 4XY 0.00873 -0.03092 -0.04838 -0.01337 0.00582 74 4XZ -0.02340 0.02758 0.00812 -0.03227 -0.00727 75 4YZ 0.03379 -0.05365 -0.02202 -0.00047 0.01770 76 6 C 1S -0.01243 -0.00136 0.00701 -0.00839 -0.00500 77 2S -0.10233 0.10062 -0.11909 0.22247 -0.10240 78 2PX -0.22389 0.18243 0.33413 -0.08947 0.06201 79 2PY -0.10466 -0.11102 -0.16609 -0.19092 0.06338 80 2PZ -0.26129 0.19833 0.27819 -0.25472 -0.00495 81 3S 0.12699 -1.06096 0.04508 -0.90035 0.46192 82 3PX 0.60852 -1.29051 -1.38321 0.31143 0.05053 83 3PY 0.26825 0.62483 1.08517 0.73561 -0.14615 84 3PZ 0.66043 -1.22169 -1.13630 0.67313 0.08955 85 4XX -0.00040 -0.02078 -0.02333 0.04777 0.01913 86 4YY -0.02609 0.02092 0.01021 -0.00918 -0.01480 87 4ZZ 0.02295 -0.02042 -0.01904 -0.00779 -0.02188 88 4XY -0.03467 -0.00854 0.03019 -0.00218 0.02179 89 4XZ -0.02720 -0.03882 -0.00108 -0.00086 0.00502 90 4YZ -0.03854 -0.00444 0.02877 0.00364 -0.01500 91 7 H 1S -0.17020 -0.02388 -0.15812 0.01104 0.02040 92 2S 0.71655 0.48516 0.73659 0.78941 -0.07456 93 8 H 1S 0.12370 0.40223 -0.18810 0.23016 0.27812 94 2S -0.55108 -1.61515 0.50136 -0.77213 -0.58605 95 9 H 1S -0.21745 -0.04999 -0.24319 0.08344 0.20446 96 2S 0.08934 -0.21087 0.71007 -0.71844 -0.26897 97 10 H 1S -0.21961 0.04253 0.24255 0.08374 0.20401 98 2S 0.08508 0.21380 -0.70960 -0.71854 -0.26819 99 11 H 1S 0.13720 -0.39769 0.18843 0.23009 0.27835 100 2S -0.60578 1.59539 -0.50253 -0.77210 -0.58674 101 12 H 1S -0.17096 0.01804 0.15759 0.01109 0.02024 102 2S 0.73344 -0.46068 -0.73472 0.78903 -0.07391 103 13 C 1S 0.00228 -0.00498 0.00751 0.00498 0.00012 104 2S -0.38437 -0.08939 -0.25022 -0.04360 -0.02179 105 2PX -0.07991 0.03042 -0.00797 0.06993 0.09926 106 2PY -0.17522 -0.06947 -0.09113 -0.09683 -0.06929 107 2PZ 0.28380 -0.01782 0.37536 -0.00121 0.07431 108 3S 0.94297 0.42143 0.66199 0.07887 0.08812 109 3PX 0.03150 -0.06326 0.00015 -0.17656 -0.23618 110 3PY 0.45778 -0.17370 0.25456 0.22501 0.08133 111 3PZ -0.50672 0.11421 -1.04773 -0.11508 -0.15172 112 4XX -0.02967 -0.00510 -0.03131 -0.00712 -0.01460 113 4YY -0.01568 -0.00237 -0.01786 0.01742 0.00753 114 4ZZ -0.01387 0.00073 0.01029 -0.02249 0.00088 115 4XY -0.04663 -0.00689 -0.00209 -0.00816 -0.01544 116 4XZ 0.02037 0.00539 0.01023 -0.02418 0.03470 117 4YZ -0.06435 0.00379 -0.02110 0.02715 0.00866 118 14 O 1S -0.00684 0.00082 -0.00073 -0.00209 -0.00073 119 2S 0.00262 -0.05290 -0.03021 0.01550 -0.14967 120 2PX 0.03431 -0.00967 0.04327 0.03442 0.00860 121 2PY 0.08676 -0.04918 0.00103 0.07884 -0.21768 122 2PZ -0.00102 0.01226 -0.07994 0.00861 0.02341 123 3S 0.08996 0.04045 0.20290 0.10012 0.12744 124 3PX 0.00521 0.02936 -0.07812 -0.10974 -0.15105 125 3PY -0.23287 0.08556 -0.01144 -0.19049 0.31794 126 3PZ 0.02360 -0.02348 0.18133 0.02407 -0.09464 127 4XX -0.01615 -0.01004 -0.01006 0.01977 -0.04620 128 4YY 0.04411 -0.00944 0.00339 -0.01388 -0.03787 129 4ZZ -0.02294 -0.02976 -0.01244 0.02527 -0.07804 130 4XY 0.00034 -0.00688 0.01240 -0.01127 0.02717 131 4XZ -0.01908 -0.00962 -0.00566 0.01333 -0.01234 132 4YZ 0.01453 0.00531 0.00060 -0.02858 0.02711 133 15 C 1S -0.00137 -0.00002 0.00001 -0.01681 0.00577 134 2S 0.11503 0.00199 -0.00003 0.34435 -0.95893 135 2PX 0.15848 0.00262 0.00020 -0.02500 -0.45038 136 2PY -0.00032 0.01366 0.05815 0.00000 -0.00002 137 2PZ -0.09564 -0.00160 -0.00022 0.31330 -0.25013 138 3S -0.37852 -0.00646 0.00004 -0.90176 2.60471 139 3PX -0.29844 -0.00505 -0.00058 0.21151 0.67200 140 3PY 0.00016 0.00323 -0.18115 -0.00008 0.00013 141 3PZ 0.50207 0.00844 0.00062 -0.63958 0.15569 142 4XX 0.00014 0.00002 0.00001 0.01002 -0.01700 143 4YY -0.02862 -0.00047 -0.00003 0.05320 -0.06144 144 4ZZ 0.02660 0.00043 0.00004 -0.06110 0.01460 145 4XY -0.00001 0.00197 -0.01273 -0.00001 0.00002 146 4XZ 0.04068 0.00069 0.00002 0.00321 -0.00552 147 4YZ 0.00030 -0.01886 0.01641 0.00002 -0.00001 148 16 C 1S 0.00210 0.00506 -0.00752 0.00499 0.00010 149 2S -0.38764 0.07610 0.24997 -0.04359 -0.02164 150 2PX -0.07891 -0.03309 0.00769 0.06986 0.09929 151 2PY 0.17740 -0.06324 -0.09100 0.09664 0.06935 152 2PZ 0.28374 0.02773 -0.37507 -0.00123 0.07426 153 3S 0.95874 -0.38840 -0.66121 0.07886 0.08790 154 3PX 0.02937 0.06414 0.00025 -0.17656 -0.23623 155 3PY -0.45111 -0.18967 0.25415 -0.22459 -0.08142 156 3PZ -0.50450 -0.13196 1.04746 -0.11538 -0.15129 157 4XX -0.02985 0.00405 0.03130 -0.00711 -0.01458 158 4YY -0.01578 0.00185 0.01785 0.01746 0.00753 159 4ZZ -0.01386 -0.00123 -0.01030 -0.02253 0.00087 160 4XY 0.04683 -0.00529 -0.00207 0.00816 0.01544 161 4XZ 0.02056 -0.00468 -0.01018 -0.02421 0.03473 162 4YZ 0.06420 0.00600 -0.02101 -0.02717 -0.00865 163 17 H 1S -0.05163 -0.00077 0.00005 -0.12112 0.34701 164 2S 0.41065 0.00688 0.00042 0.03807 -1.26437 165 18 H 1S -0.00472 -0.00013 0.00014 -0.39980 0.39563 166 2S -0.32187 -0.00533 -0.00063 1.09911 -0.93602 167 19 O 1S -0.00681 -0.00105 0.00073 -0.00210 -0.00073 168 2S 0.00076 0.05292 0.03018 0.01561 -0.14977 169 2PX 0.03398 0.01092 -0.04325 0.03431 0.00866 170 2PY -0.08497 -0.05199 0.00106 -0.07889 0.21777 171 2PZ -0.00067 -0.01234 0.07994 0.00878 0.02337 172 3S 0.09168 -0.03729 -0.20302 0.10005 0.12759 173 3PX 0.00615 -0.02928 0.07830 -0.10979 -0.15100 174 3PY 0.22968 0.09340 -0.01149 0.19053 -0.31806 175 3PZ 0.02307 0.02437 -0.18136 0.02386 -0.09458 176 4XX -0.01653 0.00947 0.01002 0.01981 -0.04626 177 4YY 0.04377 0.01092 -0.00334 -0.01389 -0.03786 178 4ZZ -0.02394 0.02895 0.01240 0.02531 -0.07807 179 4XY -0.00010 -0.00688 0.01239 0.01127 -0.02716 180 4XZ -0.01939 0.00896 0.00562 0.01336 -0.01234 181 4YZ -0.01469 0.00482 0.00057 0.02857 -0.02711 182 20 H 1S 0.31865 -0.01014 -0.13409 -0.28657 0.11507 183 2S -0.64288 0.35814 0.35538 0.78236 0.15327 184 21 H 1S 0.31753 0.02146 0.13477 -0.28653 0.11522 185 2S -0.62820 -0.38034 -0.35722 0.78214 0.15322 186 22 H 1S 0.24818 0.01315 0.27873 -0.07537 -0.00252 187 2S -0.91985 0.02691 -0.95962 -0.06873 -0.14614 188 23 H 1S 0.24865 -0.00458 -0.27846 -0.07562 -0.00256 189 2S -0.91965 -0.05890 0.95891 -0.06851 -0.14591 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 -0.00091 0.00625 0.00337 -0.01326 -0.01531 2 2S 0.33621 -0.25562 -0.25465 -0.46596 -0.49413 3 2PX -0.00570 0.10592 -0.04301 0.12732 -0.10286 4 2PY 0.06948 -0.08030 -0.27276 0.27573 -0.19411 5 2PZ -0.04166 0.18681 -0.06731 0.14914 0.07554 6 3S -1.22612 0.01150 0.85428 1.85058 1.66979 7 3PX -0.12679 -0.23235 0.91474 -1.13507 0.08608 8 3PY -0.47057 -0.26526 2.07259 -2.34357 0.98406 9 3PZ -0.06090 -0.30603 0.84466 -1.23811 -0.25005 10 4XX 0.00617 -0.01929 0.00075 -0.02104 -0.01981 11 4YY 0.01662 -0.04808 -0.03749 0.02620 -0.02320 12 4ZZ 0.02350 0.03329 0.01382 -0.06150 -0.02409 13 4XY -0.01129 -0.02313 0.01308 0.00548 -0.00859 14 4XZ -0.00238 0.03605 0.03195 -0.06789 -0.02814 15 4YZ -0.00756 -0.08449 0.01229 0.03103 0.05309 16 2 C 1S 0.00661 -0.00251 -0.01119 -0.00773 0.00070 17 2S 0.19028 -0.44934 0.08912 -0.43176 -0.03896 18 2PX 0.19697 0.04218 -0.30445 -0.04065 -0.10218 19 2PY 0.04290 -0.38649 0.15172 -0.08623 -0.05166 20 2PZ 0.10041 0.01483 -0.18344 0.09761 -0.04407 21 3S -0.44716 1.18190 -1.32950 2.11446 -0.29157 22 3PX -0.90287 -0.28315 1.62780 -0.83012 0.59972 23 3PY -0.21206 0.81483 -0.13467 0.22282 -0.44526 24 3PZ -0.83724 -0.55022 1.55341 -0.50025 0.59562 25 4XX 0.03634 -0.04939 0.00147 0.04643 -0.04190 26 4YY 0.04183 0.00227 -0.02673 -0.08330 0.09364 27 4ZZ -0.04568 -0.02301 0.00241 0.00311 -0.06586 28 4XY -0.00974 0.02778 0.01682 -0.05919 -0.03022 29 4XZ 0.02710 -0.01991 -0.07268 0.00965 0.02955 30 4YZ 0.01719 0.00136 -0.01102 0.04281 -0.04310 31 3 C 1S 0.02672 -0.02139 0.01201 -0.00231 0.00030 32 2S -0.58007 -0.17012 -0.32984 -0.23180 0.47148 33 2PX 0.06504 0.12024 -0.18170 -0.07886 0.05690 34 2PY -0.27478 -0.03004 0.00174 -0.01403 0.05799 35 2PZ -0.22377 -0.13453 -0.13714 -0.09033 0.24372 36 3S 1.42184 0.73430 0.29232 0.85239 -1.37805 37 3PX -0.13512 -0.30682 0.09387 0.66672 -0.11402 38 3PY 1.15302 0.16257 -0.81258 -0.22151 -0.14962 39 3PZ -0.07744 0.05176 0.71965 0.15279 -0.08935 40 4XX 0.00360 -0.03295 0.06409 -0.02516 -0.07387 41 4YY -0.04818 0.00048 -0.01240 -0.00874 0.07127 42 4ZZ -0.00404 -0.01698 -0.09214 0.00714 0.07072 43 4XY -0.00651 -0.05404 0.03005 -0.02348 0.03529 44 4XZ -0.06433 -0.00467 0.02231 -0.07108 0.00543 45 4YZ 0.01586 -0.01515 0.00659 0.00039 0.03389 46 4 C 1S -0.02682 -0.02124 -0.01208 0.00230 0.00030 47 2S 0.57919 -0.17325 0.32972 0.23113 0.47165 48 2PX -0.06433 0.12032 0.18204 0.07881 0.05706 49 2PY -0.27480 0.03129 0.00171 -0.01392 -0.05820 50 2PZ 0.22316 -0.13576 0.13698 0.09006 0.24368 51 3S -1.41846 0.74074 -0.29077 -0.85050 -1.37905 52 3PX 0.13342 -0.30779 -0.09462 -0.66654 -0.11459 53 3PY 1.15247 -0.16628 -0.81302 -0.22192 0.15057 54 3PZ 0.07772 0.05269 -0.71982 -0.15260 -0.08862 55 4XX -0.00367 -0.03280 -0.06423 0.02525 -0.07384 56 4YY 0.04815 0.00025 0.01248 0.00865 0.07130 57 4ZZ 0.00390 -0.01718 0.09214 -0.00724 0.07067 58 4XY -0.00625 0.05400 0.03017 -0.02347 -0.03534 59 4XZ 0.06431 -0.00488 -0.02223 0.07107 0.00553 60 4YZ 0.01598 0.01507 0.00661 0.00041 -0.03390 61 5 C 1S -0.00661 -0.00251 0.01118 0.00773 0.00070 62 2S -0.19219 -0.44819 -0.09002 0.43191 -0.03856 63 2PX -0.19683 0.04239 0.30454 0.04062 -0.10227 64 2PY 0.04453 0.38589 0.15226 -0.08629 0.05152 65 2PZ -0.10031 0.01500 0.18351 -0.09758 -0.04431 66 3S 0.45208 1.17685 1.33182 -2.11505 -0.29439 67 3PX 0.90173 -0.28370 -1.62870 0.82986 0.60172 68 3PY -0.21610 -0.81310 -0.13542 0.22235 0.44525 69 3PZ 0.83454 -0.55111 -1.55488 0.49976 0.59773 70 4XX -0.03653 -0.04924 -0.00156 -0.04645 -0.04192 71 4YY -0.04187 0.00241 0.02672 0.08328 0.09366 72 4ZZ 0.04561 -0.02320 -0.00243 -0.00305 -0.06584 73 4XY -0.00987 -0.02776 0.01676 -0.05918 0.03020 74 4XZ -0.02718 -0.01994 0.07265 -0.00970 0.02950 75 4YZ 0.01715 -0.00140 -0.01103 0.04281 0.04318 76 6 C 1S 0.00094 0.00626 -0.00336 0.01327 -0.01530 77 2S -0.33710 -0.25478 0.25414 0.46604 -0.49433 78 2PX 0.00622 0.10582 0.04306 -0.12727 -0.10294 79 2PY 0.06974 0.08058 -0.27268 0.27565 0.19437 80 2PZ 0.04240 0.18655 0.06761 -0.14925 0.07535 81 3S 1.22567 0.00785 -0.85478 -1.85122 1.67055 82 3PX 0.12566 -0.23123 -0.91480 1.13475 0.08776 83 3PY -0.46919 0.26283 2.07372 -2.34342 -0.98685 84 3PZ 0.05969 -0.30470 -0.84491 1.23816 -0.24832 85 4XX -0.00625 -0.01926 -0.00079 0.02109 -0.01982 86 4YY -0.01681 -0.04813 0.03738 -0.02623 -0.02322 87 4ZZ -0.02335 0.03343 -0.01374 0.06150 -0.02407 88 4XY -0.01121 0.02314 0.01312 0.00545 0.00859 89 4XZ 0.00254 0.03613 -0.03188 0.06791 -0.02810 90 4YZ -0.00719 0.08448 0.01250 0.03104 -0.05307 91 7 H 1S -0.03485 0.32946 0.13457 -0.22521 -0.25402 92 2S 0.32449 -0.57785 -0.29833 -0.22899 -0.46380 93 8 H 1S 0.02925 0.19375 -0.14227 -0.13046 0.39250 94 2S 0.14590 -0.96879 0.38110 -0.15608 -0.14106 95 9 H 1S 0.22095 -0.23345 0.43721 -0.12784 -0.24176 96 2S -0.50117 0.26565 -0.59448 -0.24015 0.60224 97 10 H 1S -0.22196 -0.23160 -0.43797 0.12810 -0.24166 98 2S 0.50254 0.26262 0.59507 0.23925 0.60256 99 11 H 1S -0.02863 0.19352 0.14257 0.13026 0.39263 100 2S -0.14997 -0.96706 -0.38277 0.15626 -0.14067 101 12 H 1S 0.03631 0.32960 -0.13389 0.22535 -0.25376 102 2S -0.32675 -0.57731 0.29731 0.22938 -0.46371 103 13 C 1S -0.00272 -0.01083 0.00757 -0.01582 0.00960 104 2S 0.10761 0.13787 -0.13116 -0.81404 0.22010 105 2PX 0.06069 -0.16655 -0.02480 0.07809 -0.09884 106 2PY -0.19453 0.15667 0.10346 0.03331 -0.02835 107 2PZ -0.04572 -0.26763 0.05748 0.15582 -0.01249 108 3S -0.21112 -0.52801 0.06226 2.52074 -0.44834 109 3PX 0.08684 0.23854 -0.23101 -0.17178 0.29568 110 3PY 0.47969 -0.37916 -0.16715 -0.52495 -0.13332 111 3PZ 0.86949 0.51993 -0.70116 -0.65619 0.06568 112 4XX -0.00879 0.02852 -0.01585 -0.03440 -0.02808 113 4YY -0.01795 0.00036 0.00432 -0.01009 0.03106 114 4ZZ 0.04426 -0.01225 -0.01945 -0.05312 0.02126 115 4XY -0.00098 -0.05105 0.00008 0.00125 0.05777 116 4XZ 0.05260 -0.01042 -0.03498 -0.04568 -0.03849 117 4YZ -0.02774 0.04390 0.02382 0.00558 -0.03675 118 14 O 1S 0.00954 -0.00333 -0.00862 -0.00800 -0.00260 119 2S 0.01615 0.02234 0.14152 -0.09460 0.01577 120 2PX -0.13684 0.00564 -0.10099 -0.01813 0.06748 121 2PY -0.01899 0.14671 0.11257 0.05909 -0.12792 122 2PZ 0.04495 0.05049 0.21539 0.06374 -0.01977 123 3S -0.33820 -0.02661 -0.05001 0.15608 0.13105 124 3PX 0.38681 0.03373 -0.11439 0.00532 -0.10995 125 3PY 0.05679 -0.16089 -0.18486 -0.08458 0.12156 126 3PZ 0.00667 -0.08051 -0.32897 -0.00442 0.05018 127 4XX 0.01960 0.00588 0.07372 -0.04060 0.00254 128 4YY 0.03573 0.02161 0.00350 -0.06417 -0.00330 129 4ZZ -0.03845 0.00241 0.02749 0.00580 0.00203 130 4XY 0.01736 -0.00602 -0.00555 -0.01219 -0.04040 131 4XZ -0.00836 -0.02935 0.01713 -0.04140 0.00379 132 4YZ 0.00041 0.02008 -0.00113 -0.02119 -0.01869 133 15 C 1S 0.00000 0.00221 0.00000 -0.00001 0.03072 134 2S -0.00017 -0.06398 0.00045 -0.00011 0.54752 135 2PX 0.00032 0.13802 0.00033 0.00004 0.00649 136 2PY 0.01831 0.00004 -0.11486 -0.01187 -0.00001 137 2PZ -0.00001 0.00184 0.00017 0.00003 -0.00338 138 3S -0.00011 -0.07001 -0.00151 0.00020 -1.11907 139 3PX 0.00017 0.08388 -0.00006 -0.00015 0.03339 140 3PY -0.12194 -0.00014 0.44936 -0.05067 -0.00011 141 3PZ 0.00075 0.31992 0.00010 -0.00001 -0.07544 142 4XX -0.00002 -0.01129 0.00000 0.00002 -0.00461 143 4YY -0.00013 -0.05704 -0.00001 -0.00001 0.05957 144 4ZZ 0.00009 0.04846 0.00004 -0.00003 0.04991 145 4XY 0.04029 -0.00013 0.04891 -0.01248 0.00003 146 4XZ 0.00004 0.02222 0.00003 0.00002 -0.00607 147 4YZ -0.02861 0.00007 -0.01800 0.01850 0.00000 148 16 C 1S 0.00267 -0.01082 -0.00759 0.01581 0.00961 149 2S -0.10705 0.13805 0.13138 0.81384 0.22065 150 2PX -0.06139 -0.16638 0.02443 -0.07806 -0.09889 151 2PY -0.19528 -0.15611 0.10322 0.03335 0.02827 152 2PZ 0.04450 -0.26764 -0.05806 -0.15581 -0.01251 153 3S 0.20893 -0.52828 -0.06335 -2.52045 -0.45013 154 3PX -0.08583 0.23861 0.23156 0.17157 0.29533 155 3PY 0.48159 0.37780 -0.16668 -0.52520 0.13319 156 3PZ -0.86703 0.52207 0.70209 0.65599 0.06520 157 4XX 0.00893 0.02845 0.01589 0.03443 -0.02803 158 4YY 0.01794 0.00032 -0.00432 0.01008 0.03106 159 4ZZ -0.04431 -0.01211 0.01945 0.05307 0.02126 160 4XY -0.00075 0.05106 0.00019 0.00128 -0.05776 161 4XZ -0.05264 -0.01024 0.03491 0.04570 -0.03850 162 4YZ -0.02792 -0.04383 0.02372 0.00558 0.03673 163 17 H 1S -0.00037 -0.15621 -0.00033 0.00000 0.00058 164 2S 0.00032 0.14026 0.00068 -0.00001 0.32625 165 18 H 1S 0.00020 0.09055 -0.00013 -0.00015 0.13879 166 2S -0.00090 -0.37473 0.00031 0.00017 0.11011 167 19 O 1S -0.00955 -0.00330 0.00861 0.00800 -0.00259 168 2S -0.01601 0.02263 -0.14142 0.09453 0.01583 169 2PX 0.13677 0.00484 0.10118 0.01811 0.06761 170 2PY -0.01969 -0.14679 0.11216 0.05904 0.12805 171 2PZ -0.04472 0.05104 -0.21539 -0.06361 -0.01979 172 3S 0.33794 -0.02799 0.05014 -0.15603 0.13130 173 3PX -0.38648 0.03517 0.11430 -0.00531 -0.11034 174 3PY 0.05755 0.16087 -0.18420 -0.08455 -0.12175 175 3PZ -0.00702 -0.08102 0.32895 0.00418 0.05006 176 4XX -0.01956 0.00608 -0.07367 0.04055 0.00254 177 4YY -0.03562 0.02176 -0.00345 0.06418 -0.00326 178 4ZZ 0.03849 0.00227 -0.02744 -0.00582 0.00206 179 4XY 0.01738 0.00596 -0.00548 -0.01223 0.04040 180 4XZ 0.00824 -0.02935 -0.01720 0.04140 0.00386 181 4YZ 0.00030 -0.02008 -0.00114 -0.02117 0.01866 182 20 H 1S -0.50834 -0.05215 -0.05928 -0.23789 -0.19783 183 2S 1.05371 -0.36108 0.10141 0.24306 0.44807 184 21 H 1S 0.50812 -0.05451 0.05879 0.23812 -0.19768 185 2S -1.05534 -0.35618 -0.10179 -0.24360 0.44797 186 22 H 1S 0.27696 -0.18611 -0.14096 -0.02199 0.14037 187 2S 0.01248 0.70138 -0.15860 -0.71352 0.12548 188 23 H 1S -0.27781 -0.18516 0.14062 0.02191 0.14009 189 2S -0.00939 0.70103 0.15993 0.71337 0.12592 106 107 108 109 110 V V V V V Eigenvalues -- 1.02295 1.02725 1.09209 1.09921 1.11414 1 1 C 1S 0.00453 -0.01307 -0.00841 0.01560 -0.01725 2 2S 0.29774 -0.43700 -0.29654 0.56479 -0.48698 3 2PX -0.02353 0.00570 -0.01855 0.08153 -0.10450 4 2PY -0.00009 -0.15835 0.03449 -0.01739 0.00856 5 2PZ 0.01071 0.05167 -0.01685 0.12169 0.00937 6 3S -1.19662 1.78035 0.81946 -1.78126 0.98117 7 3PX -0.09729 0.20140 0.10472 -0.69689 0.27265 8 3PY -0.21657 0.73888 0.17746 -0.14401 0.16428 9 3PZ -0.23040 0.11134 0.02889 -0.70203 0.04934 10 4XX -0.00146 0.00945 0.00586 -0.00591 -0.04633 11 4YY 0.00559 -0.04091 -0.00451 0.09249 -0.05712 12 4ZZ 0.02818 -0.03219 -0.03392 -0.01836 0.05689 13 4XY -0.00586 0.01965 0.00329 -0.08271 0.01806 14 4XZ 0.00395 -0.00933 -0.01781 0.01971 -0.02805 15 4YZ -0.01054 0.04161 0.00548 0.01704 -0.01913 16 2 C 1S -0.01109 0.00052 -0.01218 -0.02072 -0.01139 17 2S -0.20579 0.22201 0.11610 -0.82688 0.05612 18 2PX 0.13604 -0.11943 0.05091 0.03377 -0.00564 19 2PY -0.06592 -0.10427 0.05024 -0.03964 0.11183 20 2PZ -0.01930 -0.06914 -0.05406 0.10228 -0.05800 21 3S 0.97164 -1.03349 -0.33949 2.75246 -0.52965 22 3PX -0.49694 0.72875 0.15929 -0.40538 0.17666 23 3PY 0.01532 0.02742 -0.36974 -0.61333 -0.13578 24 3PZ -0.26059 0.58435 0.38220 -0.35791 0.15963 25 4XX 0.00485 -0.01555 -0.03846 0.02460 -0.01695 26 4YY -0.01070 0.04122 0.02370 -0.02326 0.02730 27 4ZZ -0.02254 -0.01534 0.00569 -0.09205 -0.01683 28 4XY 0.00821 0.00158 -0.00939 -0.02557 0.03096 29 4XZ 0.01038 -0.01611 -0.02314 0.01913 -0.03537 30 4YZ 0.00529 -0.00432 0.00487 0.02569 -0.05503 31 3 C 1S -0.00743 0.00466 0.01167 0.00039 -0.01172 32 2S -0.10470 -0.35534 -0.24824 -0.10908 -0.32147 33 2PX 0.06241 -0.01795 -0.07763 0.16502 -0.13858 34 2PY -0.06485 -0.23732 -0.11591 -0.08603 -0.02999 35 2PZ -0.05818 -0.26288 -0.10670 -0.06424 -0.03525 36 3S 0.35361 0.97446 0.33762 0.07138 0.77835 37 3PX 0.04606 0.02478 0.45707 -0.24467 0.42556 38 3PY 0.19414 0.39332 0.34402 0.18673 0.19206 39 3PZ 0.15270 0.59319 0.32427 0.51664 0.12913 40 4XX -0.01651 0.01518 0.02897 -0.01053 -0.01838 41 4YY -0.00417 -0.03536 -0.02047 -0.00059 -0.04198 42 4ZZ -0.00476 -0.02504 -0.03150 -0.00564 0.00569 43 4XY -0.01187 0.11388 0.01255 0.09024 0.03027 44 4XZ -0.01822 0.01737 0.02198 -0.02390 0.05808 45 4YZ 0.00532 0.01915 0.02023 0.04150 0.05642 46 4 C 1S 0.00743 0.00466 -0.01168 0.00043 -0.01165 47 2S 0.10491 -0.35499 0.24773 -0.11026 -0.32083 48 2PX -0.06237 -0.01815 0.07835 0.16461 -0.13888 49 2PY -0.06505 0.23727 -0.11563 0.08655 0.03006 50 2PZ 0.05838 -0.26267 0.10650 -0.06473 -0.03503 51 3S -0.35447 0.97358 -0.33755 0.07274 0.77548 52 3PX -0.04615 0.02570 -0.45809 -0.24213 0.42722 53 3PY 0.19458 -0.39300 0.34330 -0.18899 -0.19191 54 3PZ -0.15305 0.59301 -0.32193 0.51863 0.12813 55 4XX 0.01653 0.01518 -0.02907 -0.01042 -0.01832 56 4YY 0.00418 -0.03535 0.02046 -0.00068 -0.04195 57 4ZZ 0.00476 -0.02501 0.03153 -0.00578 0.00571 58 4XY -0.01181 -0.11387 0.01221 -0.09031 -0.03031 59 4XZ 0.01818 0.01729 -0.02203 -0.02383 0.05798 60 4YZ 0.00534 -0.01914 0.01999 -0.04161 -0.05642 61 5 C 1S 0.01108 0.00053 0.01207 -0.02076 -0.01141 62 2S 0.20560 0.22190 -0.11982 -0.82642 0.05680 63 2PX -0.13596 -0.11955 -0.05069 0.03405 -0.00572 64 2PY -0.06603 0.10445 0.05029 0.03920 -0.11150 65 2PZ 0.01933 -0.06906 0.05447 0.10206 -0.05832 66 3S -0.97076 -1.03266 0.35159 2.75053 -0.53018 67 3PX 0.49644 0.72863 -0.16108 -0.40462 0.17693 68 3PY 0.01534 -0.02798 -0.36659 0.61606 0.13552 69 3PZ 0.26030 0.58455 -0.38376 -0.35594 0.16148 70 4XX -0.00481 -0.01554 0.03854 0.02444 -0.01705 71 4YY 0.01065 0.04120 -0.02375 -0.02310 0.02739 72 4ZZ 0.02254 -0.01532 -0.00613 -0.09208 -0.01678 73 4XY 0.00822 -0.00152 -0.00930 0.02559 -0.03085 74 4XZ -0.01036 -0.01609 0.02321 0.01900 -0.03526 75 4YZ 0.00528 0.00433 0.00481 -0.02569 0.05500 76 6 C 1S -0.00452 -0.01307 0.00846 0.01557 -0.01726 77 2S -0.29730 -0.43731 0.29852 0.56372 -0.48751 78 2PX 0.02355 0.00577 0.01877 0.08139 -0.10457 79 2PY -0.00022 0.15827 0.03455 0.01723 -0.00851 80 2PZ -0.01078 0.05174 0.01741 0.12151 0.00933 81 3S 1.19516 1.78165 -0.82652 -1.77923 0.98316 82 3PX 0.09705 0.20086 -0.10757 -0.69586 0.27231 83 3PY -0.21613 -0.73820 0.17793 0.14254 -0.16512 84 3PZ 0.23026 0.11069 -0.03206 -0.70119 0.04830 85 4XX 0.00145 0.00944 -0.00594 -0.00587 -0.04626 86 4YY -0.00554 -0.04088 0.00486 0.09244 -0.05714 87 4ZZ -0.02816 -0.03225 0.03390 -0.01848 0.05676 88 4XY -0.00584 -0.01966 0.00364 0.08274 -0.01810 89 4XZ -0.00395 -0.00937 0.01786 0.01965 -0.02807 90 4YZ -0.01053 -0.04164 0.00543 -0.01703 0.01903 91 7 H 1S 0.03480 -0.04325 -0.08761 -0.10252 -0.02476 92 2S 0.14790 -0.35000 -0.10012 -0.10672 -0.16475 93 8 H 1S -0.03661 0.12763 0.05150 0.10764 -0.09524 94 2S -0.20894 0.00684 0.25222 -0.29722 0.19262 95 9 H 1S -0.07043 0.43247 0.29364 0.14111 0.09243 96 2S -0.09357 -1.12739 -0.88232 -0.22714 -0.75499 97 10 H 1S 0.07021 0.43225 -0.29328 0.14225 0.09272 98 2S 0.09436 -1.12726 0.88162 -0.23140 -0.75527 99 11 H 1S 0.03646 0.12765 -0.05101 0.10810 -0.09512 100 2S 0.20907 0.00659 -0.25344 -0.29575 0.19251 101 12 H 1S -0.03484 -0.04344 0.08706 -0.10270 -0.02543 102 2S -0.14756 -0.35017 0.09945 -0.10689 -0.16527 103 13 C 1S -0.01055 -0.00075 -0.00461 0.00904 0.01456 104 2S 0.10633 0.04461 0.08629 -0.21122 0.32831 105 2PX -0.18607 -0.06371 -0.06164 0.13936 -0.16799 106 2PY -0.18768 0.06821 0.01281 0.00796 -0.05662 107 2PZ -0.04730 -0.09600 0.13376 0.01284 0.05942 108 3S -1.28425 -0.24552 -0.37693 0.44998 -0.04331 109 3PX 0.36663 0.04025 -0.16473 0.21866 0.43677 110 3PY 1.23327 -0.18441 0.21626 -0.03921 0.33599 111 3PZ -0.10714 0.17238 -1.10030 0.12177 -0.13161 112 4XX -0.01128 0.00967 0.04116 0.05130 -0.02850 113 4YY -0.01929 -0.00772 -0.00403 -0.05474 0.04717 114 4ZZ -0.02235 0.00409 -0.05019 0.04414 0.02876 115 4XY 0.00690 0.01587 0.01311 -0.01730 0.01438 116 4XZ -0.07234 0.01510 -0.01465 -0.01266 0.00874 117 4YZ 0.00022 -0.04936 0.00232 0.05327 0.08909 118 14 O 1S 0.00630 -0.00082 0.00161 0.00673 0.01302 119 2S 0.46002 -0.12920 -0.00477 0.07652 0.21739 120 2PX 0.26734 -0.05516 0.34315 -0.03248 0.07786 121 2PY 0.37358 -0.06683 -0.25235 -0.11421 0.13237 122 2PZ -0.03925 0.06642 -0.26433 -0.31375 -0.41626 123 3S -1.13279 0.11685 0.18362 -0.24521 -0.75859 124 3PX -0.45551 0.15884 -0.71525 0.24972 -0.11765 125 3PY -0.65951 0.21073 0.38853 0.20233 -0.16332 126 3PZ 0.00456 -0.18370 0.30544 0.61827 0.73107 127 4XX 0.12949 -0.07380 -0.09933 0.01266 0.14775 128 4YY 0.09195 -0.03561 0.04630 0.03097 -0.03219 129 4ZZ 0.21129 -0.01679 0.04754 0.00709 0.08801 130 4XY -0.01518 0.05140 0.01386 -0.00631 -0.04811 131 4XZ 0.00425 -0.00415 0.06630 0.02061 0.00920 132 4YZ -0.01379 -0.04621 0.00128 0.01450 0.02436 133 15 C 1S 0.00000 -0.00093 0.00005 0.02843 -0.03478 134 2S -0.00009 0.28473 0.00105 0.55420 -0.49353 135 2PX -0.00014 0.33913 0.00015 0.10084 -0.03316 136 2PY -0.25327 -0.00009 0.00512 0.00001 0.00000 137 2PZ -0.00007 0.09399 -0.00007 -0.02671 0.02140 138 3S 0.00032 -0.94761 -0.00330 -1.65203 0.76593 139 3PX 0.00034 -1.00436 -0.00035 -0.29866 0.20747 140 3PY 0.75514 0.00027 0.36905 -0.00085 -0.00061 141 3PZ 0.00013 -0.17265 -0.00077 -0.32296 -0.47157 142 4XX -0.00005 0.12184 -0.00003 0.01975 -0.10749 143 4YY -0.00003 0.04729 0.00005 0.02850 0.00341 144 4ZZ 0.00006 -0.11853 0.00006 0.01458 -0.03352 145 4XY 0.00345 -0.00002 -0.14951 0.00034 0.00009 146 4XZ -0.00003 0.04082 -0.00022 -0.05192 -0.15571 147 4YZ 0.10161 0.00007 0.05826 -0.00014 0.00004 148 16 C 1S 0.01055 -0.00075 0.00467 0.00901 0.01456 149 2S -0.10640 0.04432 -0.08665 -0.21100 0.32933 150 2PX 0.18616 -0.06353 0.06202 0.13913 -0.16818 151 2PY -0.18762 -0.06823 0.01287 -0.00801 0.05683 152 2PZ 0.04739 -0.09596 -0.13359 0.01341 0.05967 153 3S 1.28457 -0.24410 0.37842 0.44878 -0.04808 154 3PX -0.36667 0.03980 0.16625 0.21796 0.43512 155 3PY 1.23305 0.18509 0.21592 0.03818 -0.33825 156 3PZ 0.10720 0.17254 1.10066 0.11717 -0.13425 157 4XX 0.01128 0.00966 -0.04095 0.05150 -0.02846 158 4YY 0.01929 -0.00774 0.00386 -0.05474 0.04719 159 4ZZ 0.02235 0.00412 0.05039 0.04387 0.02865 160 4XY 0.00689 -0.01586 0.01314 0.01723 -0.01440 161 4XZ 0.07233 0.01514 0.01458 -0.01274 0.00872 162 4YZ 0.00018 0.04936 0.00200 -0.05330 -0.08910 163 17 H 1S 0.00001 0.03444 0.00018 0.10106 -0.05008 164 2S -0.00023 0.62703 0.00084 0.47189 -0.32657 165 18 H 1S 0.00018 -0.47957 0.00031 0.10583 -0.03821 166 2S -0.00035 1.02153 0.00104 0.55936 0.19939 167 19 O 1S -0.00630 -0.00083 -0.00157 0.00674 0.01302 168 2S -0.45990 -0.12953 0.00537 0.07663 0.21757 169 2PX -0.26733 -0.05547 -0.34319 -0.03097 0.07822 170 2PY 0.37355 0.06700 -0.25206 0.11535 -0.13201 171 2PZ 0.03925 0.06663 0.26251 -0.31487 -0.41605 172 3S 1.13265 0.11765 -0.18530 -0.24485 -0.75794 173 3PX 0.45546 0.15931 0.71615 0.24663 -0.11902 174 3PY -0.65938 -0.21104 0.38801 -0.20414 0.16288 175 3PZ -0.00450 -0.18394 -0.30199 0.61958 0.73030 176 4XX -0.12943 -0.07388 0.09955 0.01225 0.14774 177 4YY -0.09192 -0.03571 -0.04620 0.03121 -0.03205 178 4ZZ -0.21127 -0.01695 -0.04738 0.00736 0.08804 179 4XY -0.01514 -0.05141 0.01399 0.00625 0.04810 180 4XZ -0.00424 -0.00418 -0.06620 0.02091 0.00938 181 4YZ -0.01379 0.04620 0.00118 -0.01449 -0.02438 182 20 H 1S -0.06503 0.07293 -0.17708 -0.05034 -0.00803 183 2S 0.28564 -0.46880 0.22926 -0.38101 -0.01424 184 21 H 1S 0.06503 0.07298 0.17681 -0.05100 -0.00870 185 2S -0.28534 -0.46931 -0.23075 -0.37983 -0.01507 186 22 H 1S -0.07749 -0.00135 -0.24485 0.08747 -0.02585 187 2S -0.14393 0.16906 -0.29779 -0.04549 -0.02346 188 23 H 1S 0.07752 -0.00125 0.24526 0.08638 -0.02646 189 2S 0.14369 0.16892 0.29767 -0.04676 -0.02406 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 0.00255 -0.00065 -0.00168 0.00952 0.04030 2 2S 0.01155 -0.04115 -0.18488 0.35355 0.90574 3 2PX 0.00655 0.01626 0.00050 0.08120 0.03381 4 2PY -0.05922 -0.07511 0.04410 -0.07625 -0.00013 5 2PZ 0.05693 0.02450 0.05158 0.11871 -0.15861 6 3S 0.39503 0.43493 0.02416 0.07414 -3.44714 7 3PX -0.62432 -0.04532 0.10681 -0.45843 0.04339 8 3PY 0.22689 0.32228 -0.42478 -0.85509 0.19758 9 3PZ -1.03999 -0.07972 0.14624 -0.27901 0.77040 10 4XX 0.05793 -0.02343 -0.00626 0.02528 0.04062 11 4YY -0.00417 0.00954 -0.02822 0.01239 0.01611 12 4ZZ -0.06667 0.00607 0.02306 0.00048 0.03161 13 4XY 0.03512 -0.01190 0.11158 0.02855 -0.06151 14 4XZ 0.01241 0.00400 0.00679 0.05169 0.07661 15 4YZ 0.05363 0.04241 -0.12679 -0.00023 -0.01150 16 2 C 1S -0.00788 -0.00314 0.00510 -0.02077 -0.00101 17 2S 0.39927 -0.27415 0.07679 -0.20100 -0.26968 18 2PX -0.03966 -0.16530 -0.02922 -0.02842 0.02089 19 2PY -0.29294 -0.05476 -0.10030 -0.33620 0.05176 20 2PZ -0.14152 -0.01189 0.08614 0.02023 0.06974 21 3S 0.28300 0.37909 -0.78090 1.58050 0.88850 22 3PX -0.01007 0.43447 -0.17077 0.24563 -0.56019 23 3PY 0.60806 0.03380 0.86949 1.77786 -0.14169 24 3PZ 0.63210 0.26496 -0.95500 -0.38460 -0.33114 25 4XX -0.02622 0.03284 -0.05384 0.00352 0.04301 26 4YY 0.02239 -0.01593 -0.01803 -0.13687 0.00391 27 4ZZ 0.02453 -0.04213 0.06154 0.08054 -0.04659 28 4XY -0.04103 0.01505 0.01861 0.05780 -0.05129 29 4XZ 0.10566 -0.00396 0.00811 0.01916 0.02171 30 4YZ 0.03881 0.01685 0.00907 0.02208 0.07810 31 3 C 1S 0.02839 -0.00272 -0.03865 -0.01363 0.01255 32 2S 0.38548 -0.05629 -0.80649 -0.18890 0.28785 33 2PX -0.08600 -0.01424 -0.11812 0.00183 -0.15118 34 2PY 0.01186 0.04197 0.04731 -0.04679 0.01421 35 2PZ 0.12822 0.10637 0.03641 -0.16531 0.03504 36 3S -1.27802 -0.34840 2.25843 1.55694 -0.92177 37 3PX 0.42679 -0.06924 0.05060 -0.38278 0.81685 38 3PY -0.53931 -0.16336 0.30149 -1.06485 0.24155 39 3PZ -0.56756 -0.04757 -0.52436 0.43436 -0.39172 40 4XX -0.01105 0.00153 0.00532 0.00939 -0.00441 41 4YY 0.01730 0.01407 -0.07310 0.01419 0.01323 42 4ZZ 0.05080 -0.02511 -0.05724 -0.03766 0.02260 43 4XY -0.00164 0.00972 -0.06090 -0.00516 -0.00760 44 4XZ -0.06521 -0.04502 -0.00099 0.04322 -0.09957 45 4YZ -0.03497 0.00114 -0.08686 -0.06311 -0.00477 46 4 C 1S -0.02844 -0.00250 -0.03869 0.01350 -0.01246 47 2S -0.38672 -0.05334 -0.80716 0.18647 -0.28648 48 2PX 0.08545 -0.01490 -0.11799 -0.00207 0.15104 49 2PY 0.01166 -0.04198 -0.04721 -0.04705 0.01428 50 2PZ -0.12745 0.10726 0.03598 0.16553 -0.03510 51 3S 1.27740 -0.35721 2.26301 -1.55012 0.91734 52 3PX -0.42610 -0.06616 0.04901 0.38275 -0.81628 53 3PY -0.53877 0.16836 -0.29835 -1.06564 0.24231 54 3PZ 0.56725 -0.05200 -0.52329 -0.43659 0.39280 55 4XX 0.01107 0.00141 0.00535 -0.00950 0.00461 56 4YY -0.01724 0.01422 -0.07310 -0.01435 -0.01310 57 4ZZ -0.05108 -0.02470 -0.05731 0.03755 -0.02270 58 4XY -0.00180 -0.00968 0.06094 -0.00513 -0.00751 59 4XZ 0.06494 -0.04552 -0.00084 -0.04335 0.09960 60 4YZ -0.03503 -0.00080 0.08700 -0.06284 -0.00486 61 5 C 1S 0.00784 -0.00322 0.00506 0.02081 0.00097 62 2S -0.40117 -0.27104 0.07658 0.20140 0.26904 63 2PX 0.03822 -0.16551 -0.02933 0.02829 -0.02109 64 2PY -0.29267 0.05752 0.10125 -0.33583 0.05162 65 2PZ 0.14123 -0.01295 0.08615 -0.02006 -0.06984 66 3S -0.28169 0.38362 -0.77749 -1.58327 -0.88624 67 3PX 0.01401 0.43387 -0.17014 -0.24611 0.56117 68 3PY 0.60794 -0.04042 -0.87401 1.77525 -0.14103 69 3PZ -0.62959 0.26899 -0.95588 0.38212 0.33283 70 4XX 0.02634 0.03264 -0.05386 -0.00352 -0.04310 71 4YY -0.02244 -0.01584 -0.01836 0.13680 -0.00395 72 4ZZ -0.02481 -0.04189 0.06178 -0.08045 0.04668 73 4XY -0.04120 -0.01477 -0.01878 0.05778 -0.05125 74 4XZ -0.10577 -0.00305 0.00816 -0.01902 -0.02187 75 4YZ 0.03875 -0.01718 -0.00911 0.02210 0.07801 76 6 C 1S -0.00259 -0.00062 -0.00168 -0.00951 -0.04031 77 2S -0.01290 -0.04055 -0.18465 -0.35370 -0.90598 78 2PX -0.00668 0.01645 0.00070 -0.08106 -0.03400 79 2PY -0.05861 0.07563 -0.04392 -0.07627 -0.00018 80 2PZ -0.05680 0.02519 0.05202 -0.11856 0.15843 81 3S -0.38941 0.43736 0.02692 -0.07453 3.44783 82 3PX 0.62468 -0.05161 0.10537 0.45832 -0.04308 83 3PY 0.22372 -0.32276 0.42716 -0.85411 0.19734 84 3PZ 1.03973 -0.08933 0.14465 0.27913 -0.77012 85 4XX -0.05811 -0.02292 -0.00624 -0.02538 -0.04047 86 4YY 0.00408 0.00954 -0.02820 -0.01241 -0.01615 87 4ZZ 0.06678 0.00552 0.02305 -0.00039 -0.03169 88 4XY 0.03517 0.01159 -0.11170 0.02827 -0.06135 89 4XZ -0.01241 0.00414 0.00687 -0.05161 -0.07669 90 4YZ 0.05334 -0.04284 0.12675 0.00004 -0.01155 91 7 H 1S -0.39958 -0.07140 0.14172 0.05191 0.37772 92 2S -0.39323 -0.13609 -0.02409 -0.02737 0.65765 93 8 H 1S -0.09823 0.04780 -0.13514 -0.54276 -0.05629 94 2S -0.29857 -0.19960 -0.30551 -0.82832 -0.06703 95 9 H 1S -0.00142 -0.08636 -0.10675 0.14335 -0.08658 96 2S 0.46210 0.23874 -0.36870 -0.08331 0.02848 97 10 H 1S 0.00090 -0.08625 -0.10636 -0.14400 0.08696 98 2S -0.46210 0.24249 -0.36881 0.08277 -0.02829 99 11 H 1S 0.09850 0.04647 -0.13648 0.54253 0.05618 100 2S 0.29724 -0.20285 -0.30762 0.82741 0.06723 101 12 H 1S 0.39897 -0.07468 0.14147 -0.05151 -0.37787 102 2S 0.39196 -0.13949 -0.02478 0.02725 -0.65741 103 13 C 1S 0.00057 0.02009 -0.00439 0.00221 -0.00739 104 2S 0.58409 0.13535 0.00653 0.10216 -0.25502 105 2PX -0.10247 0.04548 0.03939 -0.09898 0.16301 106 2PY -0.10032 -0.07419 0.06220 0.13995 0.04376 107 2PZ 0.10628 0.14666 0.11880 0.07908 0.13903 108 3S -2.40042 0.25762 0.10611 0.94625 0.57653 109 3PX -0.78278 0.10394 0.27480 0.81594 -1.00056 110 3PY 1.00364 0.31613 -0.36007 -0.65132 -0.10675 111 3PZ -0.95124 -0.08642 0.11991 0.13864 -1.11272 112 4XX -0.01154 0.09082 -0.08422 0.02713 0.08956 113 4YY -0.00061 0.00650 -0.02579 0.00735 -0.00791 114 4ZZ -0.01244 -0.04731 0.10278 0.02366 -0.11849 115 4XY 0.00333 0.10457 0.12496 -0.01363 -0.00752 116 4XZ 0.01103 -0.03161 -0.02080 0.05651 -0.02435 117 4YZ 0.00626 -0.00934 -0.02990 0.01875 0.03743 118 14 O 1S -0.00262 0.01390 0.01444 0.00269 -0.00398 119 2S 0.07064 0.27677 0.18830 0.02874 -0.01561 120 2PX 0.01546 -0.42870 -0.05307 -0.14128 -0.02074 121 2PY -0.03215 0.16112 -0.23460 -0.02819 -0.10513 122 2PZ 0.25425 0.11237 0.00061 -0.24966 0.09643 123 3S 0.37505 -0.66911 -0.37338 -0.15567 0.48116 124 3PX -0.37728 0.80520 0.10545 0.46150 -0.17349 125 3PY -0.01545 -0.27322 0.48008 0.08540 0.17041 126 3PZ -0.59751 -0.13425 0.11817 0.65383 -0.22148 127 4XX 0.03648 0.09317 0.09070 -0.00366 -0.08665 128 4YY 0.04289 -0.04879 0.04919 0.00812 0.01470 129 4ZZ -0.01443 0.20008 0.00761 0.00438 0.05312 130 4XY 0.00155 0.01896 -0.01815 0.03714 0.00460 131 4XZ 0.05771 0.05005 0.05262 0.02295 0.06193 132 4YZ -0.00761 -0.05376 -0.06416 0.03441 0.00280 133 15 C 1S -0.00012 -0.02222 0.04280 0.00003 0.00002 134 2S -0.00175 -0.30598 0.74455 0.00057 0.00024 135 2PX -0.00026 -0.06284 -0.29023 -0.00040 0.00015 136 2PY 0.03743 -0.00016 -0.00001 0.00608 0.05645 137 2PZ -0.00073 -0.17969 -0.02057 -0.00010 0.00000 138 3S 0.00311 0.52488 -1.16622 -0.00048 -0.00119 139 3PX -0.00194 -0.47164 0.39205 0.00023 -0.00023 140 3PY 0.44388 -0.00161 0.00069 -0.60850 0.11056 141 3PZ 0.00263 0.72140 -0.41087 -0.00013 0.00028 142 4XX -0.00009 -0.00503 -0.00724 -0.00001 0.00005 143 4YY 0.00021 0.04367 0.11026 0.00017 -0.00011 144 4ZZ -0.00069 -0.15102 0.01033 -0.00009 0.00007 145 4XY -0.00361 0.00005 -0.00005 0.01961 -0.07458 146 4XZ -0.00096 -0.20509 0.00418 -0.00009 0.00004 147 4YZ -0.07042 0.00028 -0.00004 0.06268 0.01597 148 16 C 1S -0.00039 0.02009 -0.00439 -0.00221 0.00742 149 2S -0.58235 0.14034 0.00694 -0.10233 0.25543 150 2PX 0.10248 0.04449 0.03904 0.09927 -0.16320 151 2PY -0.09959 0.07486 -0.06250 0.13995 0.04372 152 2PZ -0.10498 0.14759 0.11885 -0.07860 -0.13911 153 3S 2.40228 0.23884 0.10806 -0.94550 -0.57723 154 3PX 0.78429 0.09864 0.27729 -0.81583 1.00098 155 3PY 1.00027 -0.32357 0.36173 -0.65077 -0.10695 156 3PZ 0.95047 -0.09365 0.12115 -0.13877 1.11282 157 4XX 0.01218 0.09074 -0.08424 -0.02735 -0.08927 158 4YY 0.00076 0.00651 -0.02578 -0.00740 0.00790 159 4ZZ 0.01211 -0.04736 0.10295 -0.02344 0.11834 160 4XY 0.00242 -0.10457 -0.12492 -0.01404 -0.00723 161 4XZ -0.01126 -0.03147 -0.02068 -0.05660 0.02441 162 4YZ 0.00622 0.00931 0.02985 0.01881 0.03738 163 17 H 1S 0.00093 0.23483 0.17264 0.00026 0.00009 164 2S -0.00044 -0.03984 -0.11364 -0.00027 0.00039 165 18 H 1S -0.00025 -0.03251 0.16191 0.00007 0.00010 166 2S -0.00221 -0.59710 0.58148 0.00032 -0.00008 167 19 O 1S 0.00276 0.01388 0.01445 -0.00264 0.00395 168 2S -0.06806 0.27740 0.18840 -0.02810 0.01538 169 2PX -0.01885 -0.42862 -0.05333 0.14079 0.02055 170 2PY -0.03358 -0.16082 0.23462 -0.02789 -0.10516 171 2PZ -0.25387 0.11411 0.00005 0.25010 -0.09670 172 3S -0.38182 -0.66647 -0.37416 0.15433 -0.48019 173 3PX 0.38361 0.80249 0.10650 -0.46069 0.17401 174 3PY -0.01325 0.27316 -0.48030 0.08472 0.17071 175 3PZ 0.59730 -0.13838 0.11959 -0.65441 0.22209 176 4XX -0.03548 0.09345 0.09077 0.00400 0.08639 177 4YY -0.04336 -0.04841 0.04920 -0.00815 -0.01459 178 4ZZ 0.01620 0.20000 0.00759 -0.00415 -0.05324 179 4XY 0.00146 -0.01902 0.01807 0.03717 0.00454 180 4XZ -0.05728 0.05053 0.05263 -0.02279 -0.06193 181 4YZ -0.00718 0.05374 0.06410 0.03469 0.00263 182 20 H 1S -0.25536 -0.04321 -0.13652 0.08291 -0.18535 183 2S -0.49771 0.06880 -0.13567 0.21003 -0.35692 184 21 H 1S 0.25495 -0.04523 -0.13626 -0.08340 0.18569 185 2S 0.49831 0.06498 -0.13496 -0.21039 0.35755 186 22 H 1S -0.19114 0.04970 0.24731 0.01502 -0.33507 187 2S -0.20058 -0.18428 -0.10109 0.16656 -0.33979 188 23 H 1S 0.19150 0.04828 0.24764 -0.01443 0.33494 189 2S 0.19900 -0.18556 -0.10039 -0.16726 0.34036 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 0.01230 0.00339 -0.02931 -0.00466 0.01971 2 2S 0.34902 0.08871 -0.56106 -0.12292 0.40194 3 2PX 0.10633 0.06359 -0.03706 0.02795 0.00539 4 2PY -0.08206 -0.00677 -0.01966 0.06954 0.02608 5 2PZ 0.10505 0.03913 -0.07461 -0.05093 0.09512 6 3S -0.63006 -0.21970 1.90648 0.03189 -2.71264 7 3PX -0.43456 -0.23078 0.59492 0.28936 -0.89806 8 3PY 0.20182 0.02578 -0.41062 -0.41189 1.27106 9 3PZ -0.40439 -0.17343 0.25585 0.39654 -1.29738 10 4XX -0.00585 -0.15133 -0.12179 -0.19836 0.08186 11 4YY 0.06996 0.04889 -0.00201 -0.04171 -0.00141 12 4ZZ -0.05183 0.09850 0.07770 0.22899 -0.07065 13 4XY 0.00319 -0.04167 -0.00493 -0.02390 -0.01592 14 4XZ 0.04868 0.05857 -0.05445 -0.06704 -0.00703 15 4YZ 0.01381 0.05311 0.02875 0.11104 0.01234 16 2 C 1S 0.02392 -0.00354 -0.00683 0.03049 -0.00201 17 2S 0.22059 -0.04052 -0.01166 0.38661 -0.13156 18 2PX 0.09521 0.00136 0.04859 0.08846 -0.04660 19 2PY 0.00792 0.08457 0.06431 -0.07729 0.07146 20 2PZ 0.04001 0.00444 -0.04321 0.00864 -0.01683 21 3S -0.72256 -0.19770 -0.47745 -1.03478 1.48706 22 3PX -0.49304 -0.09065 -0.14362 -0.30347 -0.17433 23 3PY -0.42728 -0.06556 -0.29303 0.47345 -1.33011 24 3PZ -0.58859 -0.42329 0.46237 -0.24927 0.27812 25 4XX -0.00532 0.08764 0.09595 0.19343 -0.03495 26 4YY 0.06306 0.05486 0.02987 -0.05776 0.06507 27 4ZZ -0.04333 -0.15675 -0.12157 -0.07257 0.00202 28 4XY -0.00122 0.05306 -0.03327 0.04472 -0.05934 29 4XZ 0.07339 0.05157 0.01917 -0.00070 -0.01867 30 4YZ -0.00013 -0.09245 -0.07998 -0.16036 0.08191 31 3 C 1S -0.04200 -0.03935 0.02417 0.00606 0.02050 32 2S -0.63805 -0.62062 0.27113 0.37985 0.22947 33 2PX 0.18521 -0.11371 -0.14743 -0.00644 0.08326 34 2PY -0.01361 0.10138 0.05263 -0.06497 0.01100 35 2PZ 0.00066 0.20083 0.08366 -0.15528 0.03375 36 3S 1.87322 1.35086 -1.30995 0.00278 -1.58447 37 3PX -0.37774 0.22483 0.85271 -0.05254 -0.28354 38 3PY 0.53953 0.18516 0.30651 0.18274 0.32652 39 3PZ -0.11670 -0.40718 -0.29710 -0.02030 0.36241 40 4XX -0.07912 -0.08715 -0.02669 -0.07001 0.05196 41 4YY -0.04828 -0.05723 -0.01130 0.00785 -0.00256 42 4ZZ 0.01809 0.07215 0.07513 0.09487 -0.03747 43 4XY 0.09061 0.07392 0.04427 0.07258 -0.02530 44 4XZ -0.00979 -0.00390 -0.08841 0.00099 0.00864 45 4YZ -0.01379 0.13557 0.04168 0.00572 0.02392 46 4 C 1S -0.04204 -0.03913 -0.02451 0.00597 -0.02050 47 2S -0.63870 -0.61821 -0.27703 0.37880 -0.22966 48 2PX 0.18535 -0.11487 0.14658 -0.00633 -0.08318 49 2PY 0.01367 -0.10185 0.05175 0.06513 0.01090 50 2PZ 0.00043 0.20151 -0.08179 -0.15559 -0.03358 51 3S 1.87629 1.33950 1.32120 0.00993 1.58381 52 3PX -0.37868 0.23172 -0.85088 -0.05340 0.28319 53 3PY -0.53821 -0.18740 0.30495 -0.18121 0.32707 54 3PZ -0.11574 -0.40964 0.29429 -0.02085 -0.36230 55 4XX -0.07913 -0.08731 0.02625 -0.07009 -0.05189 56 4YY -0.04831 -0.05726 0.01077 0.00788 0.00260 57 4ZZ 0.01806 0.07266 -0.07482 0.09484 0.03734 58 4XY -0.09062 -0.07427 0.04394 -0.07255 -0.02511 59 4XZ -0.00961 -0.00456 0.08846 0.00128 -0.00847 60 4YZ 0.01383 -0.13590 0.04053 -0.00558 0.02379 61 5 C 1S 0.02392 -0.00361 0.00676 0.03049 0.00198 62 2S 0.22096 -0.04086 0.01080 0.38712 0.13112 63 2PX 0.09513 0.00172 -0.04876 0.08878 0.04648 64 2PY -0.00760 -0.08501 0.06337 0.07758 0.07135 65 2PZ 0.03991 0.00411 0.04317 0.00885 0.01689 66 3S -0.72334 -0.20035 0.47688 -1.03884 -1.48577 67 3PX -0.49186 -0.09190 0.14363 -0.30292 0.17463 68 3PY 0.42558 0.06788 -0.29070 -0.47833 -1.32970 69 3PZ -0.58808 -0.41953 -0.46512 -0.25121 -0.27794 70 4XX -0.00535 0.08840 -0.09565 0.19319 0.03472 71 4YY 0.06295 0.05504 -0.02922 -0.05807 -0.06503 72 4ZZ -0.04320 -0.15767 0.12043 -0.07216 -0.00187 73 4XY 0.00109 -0.05285 -0.03368 -0.04503 -0.05941 74 4XZ 0.07337 0.05169 -0.01888 -0.00077 0.01854 75 4YZ 0.00025 0.09315 -0.07956 0.16049 0.08175 76 6 C 1S 0.01224 0.00314 0.02934 -0.00469 -0.01970 77 2S 0.34788 0.08408 0.56196 -0.12347 -0.40174 78 2PX 0.10637 0.06330 0.03748 0.02795 -0.00542 79 2PY 0.08213 0.00692 -0.01941 -0.06956 0.02617 80 2PZ 0.10535 0.03860 0.07505 -0.05107 -0.09500 81 3S -0.62421 -0.20402 -1.90764 0.03839 2.71275 82 3PX -0.43464 -0.22627 -0.59746 0.29178 0.89800 83 3PY -0.20071 -0.02206 -0.41209 0.41591 1.27012 84 3PZ -0.40529 -0.17189 -0.25817 0.40074 1.29707 85 4XX -0.00590 -0.15232 0.12100 -0.19834 -0.08160 86 4YY 0.06995 0.04887 0.00246 -0.04168 0.00144 87 4ZZ -0.05188 0.09911 -0.07736 0.22898 0.07040 88 4XY -0.00329 0.04173 -0.00453 0.02388 -0.01587 89 4XZ 0.04863 0.05810 0.05503 -0.06696 0.00710 90 4YZ -0.01382 -0.05336 0.02839 -0.11093 0.01242 91 7 H 1S -0.06907 -0.04121 -0.01288 0.19085 -0.23534 92 2S -0.22073 -0.14770 0.04564 0.24088 -0.43629 93 8 H 1S 0.24057 -0.08032 0.12260 0.04853 0.16416 94 2S 0.14734 0.05346 0.12102 -0.05537 0.33920 95 9 H 1S -0.15632 -0.17588 -0.07162 -0.03516 0.13020 96 2S -0.12879 -0.30951 -0.06334 0.14667 0.17674 97 10 H 1S -0.15620 -0.17637 0.07023 -0.03543 -0.13009 98 2S -0.12920 -0.30997 0.06040 0.14635 -0.17659 99 11 H 1S 0.24022 -0.07941 -0.12312 0.04770 -0.16429 100 2S 0.14677 0.05419 -0.12009 -0.05664 -0.33920 101 12 H 1S -0.06951 -0.04138 0.01201 0.19178 0.23510 102 2S -0.22162 -0.14753 -0.04745 0.24241 0.43598 103 13 C 1S -0.01131 0.01598 0.02512 -0.02888 -0.00972 104 2S -0.31859 0.38060 0.35125 -0.50963 -0.36822 105 2PX 0.13220 -0.07650 -0.03673 0.15023 0.07906 106 2PY -0.11110 -0.03986 -0.00282 0.04250 -0.06980 107 2PZ 0.01303 0.17760 0.08879 -0.10661 0.00340 108 3S 0.36106 -0.57181 -1.52960 1.15067 1.28440 109 3PX -0.44645 -0.20871 0.41938 0.05070 0.35545 110 3PY 0.23851 0.10472 1.91707 0.10920 0.33807 111 3PZ -0.24910 -0.51254 -0.14411 0.49942 -0.18270 112 4XX -0.14362 -0.02843 0.15323 -0.13900 0.01097 113 4YY 0.02601 0.05753 -0.01342 -0.09256 -0.00071 114 4ZZ 0.02861 -0.01565 -0.08863 0.22941 0.00639 115 4XY 0.12677 -0.24455 0.03244 0.07529 0.01108 116 4XZ -0.04360 0.17069 0.07238 -0.01107 -0.02495 117 4YZ 0.00764 0.10540 0.00095 0.09705 0.09744 118 14 O 1S 0.01454 -0.01718 -0.00046 0.01510 0.01366 119 2S 0.05288 -0.18735 0.11804 0.14269 0.27638 120 2PX 0.21550 -0.03625 -0.30934 -0.07802 -0.05396 121 2PY 0.04579 -0.02652 0.10710 0.03039 -0.03016 122 2PZ 0.11021 0.11143 -0.23779 -0.01701 -0.19729 123 3S -0.51383 0.73267 -0.07418 -0.51261 -0.78424 124 3PX -0.58284 -0.03349 0.94633 0.49834 0.27042 125 3PY 0.07604 -0.04030 -0.50150 -0.07332 0.00233 126 3PZ -0.39632 -0.28271 0.85890 0.18171 0.64897 127 4XX 0.11632 -0.05513 -0.01963 0.19794 0.23083 128 4YY -0.11170 0.05184 -0.03142 0.00877 0.05930 129 4ZZ 0.09476 -0.18615 0.12724 -0.06337 -0.07493 130 4XY -0.06691 0.08958 0.06603 0.06224 -0.20193 131 4XZ -0.02393 -0.00126 0.10053 -0.04634 0.06392 132 4YZ -0.07716 0.01123 0.05928 -0.12306 0.19156 133 15 C 1S -0.05236 -0.00936 -0.00006 0.02836 -0.00002 134 2S -0.82047 0.04670 -0.00012 0.32651 -0.00023 135 2PX -0.05159 0.02868 0.00018 -0.04113 0.00002 136 2PY 0.00005 0.00073 -0.17748 -0.00018 -0.06155 137 2PZ 0.00186 0.03013 0.00010 0.01052 -0.00003 138 3S 2.59778 -0.03981 0.00068 -1.08393 0.00081 139 3PX 0.02729 -0.30915 -0.00151 0.26550 -0.00021 140 3PY 0.00025 0.00412 -0.98905 -0.00103 -0.27138 141 3PZ -0.30550 0.12320 0.00034 0.05736 0.00005 142 4XX -0.08367 0.07470 0.00024 0.08343 0.00001 143 4YY 0.10587 -0.07446 -0.00036 -0.00384 0.00006 144 4ZZ -0.08516 -0.01012 0.00004 -0.05403 -0.00008 145 4XY -0.00008 -0.00032 0.06796 -0.00004 0.36304 146 4XZ -0.07622 0.12741 0.00057 -0.04462 0.00005 147 4YZ 0.00004 -0.00069 0.16862 0.00030 -0.29114 148 16 C 1S -0.01130 0.01620 -0.02494 -0.02893 0.00975 149 2S -0.31818 0.38355 -0.34723 -0.50960 0.36868 150 2PX 0.13192 -0.07684 0.03579 0.14998 -0.07917 151 2PY 0.11106 0.03980 -0.00236 -0.04260 -0.06974 152 2PZ 0.01294 0.17828 -0.08716 -0.10670 -0.00334 153 3S 0.36074 -0.58437 1.52311 1.15189 -1.28556 154 3PX -0.44480 -0.20472 -0.42102 0.05011 -0.35552 155 3PY -0.23825 -0.12026 1.91601 -0.10544 0.33815 156 3PZ -0.24800 -0.51336 0.13948 0.49897 0.18231 157 4XX -0.14374 -0.02718 -0.15324 -0.13951 -0.01111 158 4YY 0.02602 0.05745 0.01407 -0.09250 0.00075 159 4ZZ 0.02879 -0.01635 0.08813 0.22971 -0.00628 160 4XY -0.12675 0.24424 0.03467 -0.07524 0.01125 161 4XZ -0.04356 0.17132 -0.07093 -0.01110 0.02498 162 4YZ -0.00764 -0.10540 0.00017 -0.09714 0.09735 163 17 H 1S -0.23103 0.05453 0.00019 0.04440 -0.00004 164 2S -0.48216 0.12575 0.00054 -0.00445 -0.00003 165 18 H 1S -0.24469 -0.12868 -0.00065 0.14242 -0.00010 166 2S -0.15169 0.08198 0.00021 0.16885 -0.00017 167 19 O 1S 0.01454 -0.01718 0.00030 0.01508 -0.01367 168 2S 0.05294 -0.18630 -0.11981 0.14210 -0.27647 169 2PX 0.21544 -0.03881 0.30918 -0.07728 0.05401 170 2PY -0.04592 0.02562 0.10728 -0.03023 -0.03016 171 2PZ 0.10993 0.10935 0.23864 -0.01650 0.19736 172 3S -0.51445 0.73172 0.08099 -0.51140 0.78457 173 3PX -0.58241 -0.02556 -0.94736 0.49598 -0.27081 174 3PY -0.07576 0.04446 -0.50097 0.07244 0.00234 175 3PZ -0.39566 -0.27535 -0.86138 0.17983 -0.64942 176 4XX 0.11649 -0.05523 0.01887 0.19813 -0.23076 177 4YY -0.11174 0.05161 0.03182 0.00865 -0.05942 178 4ZZ 0.09469 -0.18512 -0.12868 -0.06387 0.07490 179 4XY 0.06692 -0.09011 0.06541 -0.06204 -0.20194 180 4XZ -0.02397 -0.00047 -0.10046 -0.04666 -0.06401 181 4YZ 0.07706 -0.01168 0.05900 0.12319 0.19158 182 20 H 1S -0.17118 -0.21566 -0.17354 0.02046 -0.00127 183 2S -0.47115 0.11317 -0.39288 0.00431 0.05605 184 21 H 1S -0.17088 -0.21714 0.17165 0.02064 0.00126 185 2S -0.47057 0.10989 0.39356 0.00500 -0.05604 186 22 H 1S -0.00555 -0.04401 -0.14601 -0.04204 -0.15836 187 2S -0.37773 -0.19457 -0.30012 -0.02671 -0.29770 188 23 H 1S -0.00520 -0.04514 0.14567 -0.04178 0.15845 189 2S -0.37728 -0.19682 0.29852 -0.02607 0.29767 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 0.00003 0.03418 0.00419 -0.00385 0.00340 2 2S -0.06195 0.63126 -0.15367 -0.09938 -0.13747 3 2PX 0.05033 0.00822 -0.08898 -0.03802 -0.19639 4 2PY 0.06092 -0.00140 0.08891 0.00148 0.07039 5 2PZ -0.08083 0.14306 -0.10383 -0.05480 -0.03977 6 3S -0.35315 -4.16456 -0.46426 1.29707 -0.48140 7 3PX 0.08007 -1.46202 0.15044 0.99529 0.17946 8 3PY -0.49471 2.49592 -0.54074 0.16317 -0.59547 9 3PZ 0.27230 -2.11380 0.14334 1.13884 0.31835 10 4XX -0.21107 0.12375 0.07429 0.14263 0.17044 11 4YY 0.00849 -0.00992 0.00942 -0.01635 -0.07030 12 4ZZ 0.16863 -0.11320 -0.07828 -0.12414 -0.07485 13 4XY 0.03954 -0.01268 0.09504 -0.01637 -0.42480 14 4XZ 0.00130 0.00789 -0.00432 0.04652 0.09815 15 4YZ 0.03354 0.02759 -0.17961 -0.03397 0.26611 16 2 C 1S -0.00106 -0.00085 -0.03063 0.03113 -0.00608 17 2S 0.01581 -0.20955 -0.35369 0.64126 0.04244 18 2PX 0.04994 -0.19433 -0.06781 0.11833 -0.00952 19 2PY -0.07896 0.06715 -0.03643 -0.04190 -0.03938 20 2PZ -0.00594 -0.09654 0.03729 -0.03273 0.02641 21 3S -0.01964 2.14071 1.31245 -2.40585 -0.17744 22 3PX -0.27393 0.16780 -0.12659 0.12797 -0.23781 23 3PY 0.49241 -1.88799 0.33179 0.76019 0.54512 24 3PZ -0.38695 0.68964 0.03784 0.54782 -0.83997 25 4XX 0.14736 -0.03062 -0.03533 -0.20757 0.05015 26 4YY -0.04474 0.07795 0.03743 0.07438 0.00710 27 4ZZ -0.11631 -0.00315 -0.03372 0.14438 -0.06455 28 4XY -0.01063 -0.03768 -0.25413 -0.00253 -0.01531 29 4XZ 0.10687 -0.01964 0.18618 -0.00473 0.01444 30 4YZ -0.10236 0.14883 0.08574 0.09060 0.06501 31 3 C 1S -0.00877 0.01126 0.02547 0.00801 -0.01520 32 2S -0.07668 0.10886 0.31937 0.14598 -0.17875 33 2PX -0.11631 0.14134 -0.01984 -0.00554 -0.05064 34 2PY -0.01536 0.00998 -0.01876 -0.03491 0.04838 35 2PZ -0.02672 0.05523 0.00838 -0.10765 -0.09699 36 3S 0.60395 -1.66393 -0.92379 0.13080 0.98818 37 3PX 0.27221 -0.75711 0.16035 0.29075 0.03770 38 3PY 0.14061 0.05613 -0.25682 -0.06395 0.19484 39 3PZ -0.15491 0.73113 0.07755 -0.12540 -0.26377 40 4XX -0.08169 0.09660 -0.16000 -0.01248 0.03922 41 4YY -0.02740 0.00418 0.03122 0.01740 0.05399 42 4ZZ 0.09943 -0.10380 0.15502 0.01151 -0.09884 43 4XY 0.16099 -0.02427 0.28769 -0.04551 0.05581 44 4XZ -0.09815 0.01811 -0.20219 0.06222 -0.13133 45 4YZ -0.04301 0.01006 -0.06548 -0.02541 -0.19126 46 4 C 1S -0.00881 -0.01123 0.02546 -0.00801 -0.01517 47 2S -0.07704 -0.10910 0.31943 -0.14575 -0.17837 48 2PX -0.11655 -0.14114 -0.01971 0.00554 -0.05067 49 2PY 0.01542 0.00976 0.01878 -0.03490 -0.04835 50 2PZ -0.02693 -0.05487 0.00830 0.10758 -0.09709 51 3S 0.60877 1.66170 -0.92388 -0.13107 0.98740 52 3PX 0.27332 0.75645 0.15951 -0.29060 0.03770 53 3PY -0.13995 0.05753 0.25728 -0.06408 -0.19491 54 3PZ -0.15631 -0.73092 0.07825 0.12542 -0.26388 55 4XX -0.08192 -0.09638 -0.16003 0.01249 0.03911 56 4YY -0.02743 -0.00406 0.03116 -0.01736 0.05391 57 4ZZ 0.09969 0.10345 0.15509 -0.01154 -0.09862 58 4XY -0.16102 -0.02386 -0.28760 -0.04554 -0.05578 59 4XZ -0.09809 -0.01785 -0.20209 -0.06229 -0.13138 60 4YZ 0.04306 0.00989 0.06549 -0.02529 0.19130 61 5 C 1S -0.00106 0.00078 -0.03063 -0.03115 -0.00606 62 2S 0.01628 0.20853 -0.35364 -0.64138 0.04287 63 2PX 0.05038 0.19398 -0.06788 -0.11831 -0.00944 64 2PY 0.07922 0.06688 0.03655 -0.04191 0.03944 65 2PZ -0.00568 0.09660 0.03728 0.03274 0.02641 66 3S -0.02474 -2.13784 1.31314 2.40639 -0.17869 67 3PX -0.27395 -0.16680 -0.12610 -0.12812 -0.23801 68 3PY -0.49766 -1.88679 -0.33203 0.76040 -0.54553 69 3PZ -0.38867 -0.68848 0.03814 -0.54806 -0.83967 70 4XX 0.14746 0.02999 -0.03523 0.20764 0.05018 71 4YY -0.04505 -0.07784 0.03736 -0.07444 0.00717 72 4ZZ -0.11623 0.00358 -0.03373 -0.14440 -0.06462 73 4XY 0.01037 -0.03765 0.25405 -0.00266 0.01535 74 4XZ 0.10687 0.01943 0.18616 0.00467 0.01450 75 4YZ 0.10275 0.14828 -0.08582 0.09067 -0.06500 76 6 C 1S -0.00005 -0.03417 0.00420 0.00385 0.00339 77 2S -0.06349 -0.63094 -0.15327 0.09938 -0.13750 78 2PX 0.05032 -0.00838 -0.08894 0.03792 -0.19639 79 2PY -0.06090 -0.00118 -0.08887 0.00141 -0.07032 80 2PZ -0.08114 -0.14281 -0.10373 0.05474 -0.03982 81 3S -0.34237 4.16525 -0.46550 -1.29778 -0.48048 82 3PX 0.08379 1.46199 0.15000 -0.99529 0.18008 83 3PY 0.50081 2.49382 0.53969 0.16396 0.59555 84 3PZ 0.27763 2.11304 0.14271 -1.13868 0.31898 85 4XX -0.21140 -0.12295 0.07432 -0.14263 0.17059 86 4YY 0.00854 0.00996 0.00940 0.01632 -0.07035 87 4ZZ 0.16892 0.11245 -0.07828 0.12421 -0.07494 88 4XY -0.03955 -0.01266 -0.09506 -0.01607 0.42475 89 4XZ 0.00128 -0.00775 -0.00427 -0.04649 0.09820 90 4YZ -0.03349 0.02789 0.17962 -0.03413 -0.26616 91 7 H 1S 0.16976 -0.44292 0.09246 0.12975 0.09588 92 2S 0.18513 -0.85267 0.23725 0.35056 0.29630 93 8 H 1S -0.06426 0.25054 -0.19611 0.00854 -0.13870 94 2S -0.21942 0.43225 -0.27296 -0.00665 -0.19649 95 9 H 1S -0.01733 0.18266 0.06168 0.03244 -0.07644 96 2S -0.28439 0.32843 0.15925 -0.17290 -0.09890 97 10 H 1S -0.01769 -0.18240 0.06180 -0.03253 -0.07632 98 2S -0.28519 -0.32793 0.15952 0.17308 -0.09892 99 11 H 1S -0.06506 -0.25077 -0.19622 -0.00862 -0.13874 100 2S -0.22076 -0.43215 -0.27315 0.00664 -0.19659 101 12 H 1S 0.17085 0.44231 0.09229 -0.12970 0.09594 102 2S 0.18715 0.85196 0.23689 -0.35035 0.29650 103 13 C 1S -0.00379 0.01663 0.00717 -0.02111 -0.00046 104 2S 0.00427 -0.08797 0.14040 -0.09078 0.17235 105 2PX 0.01518 0.10447 -0.06916 -0.00590 -0.07966 106 2PY 0.03593 -0.01787 -0.00624 -0.03430 0.05616 107 2PZ 0.01497 -0.08274 0.02823 -0.02018 0.02919 108 3S -0.11276 -0.18967 -0.34507 -0.74552 -0.30797 109 3PX -0.06450 -0.01924 0.08185 -0.98310 0.21262 110 3PY -0.12072 0.28192 -0.09870 0.90161 -0.22920 111 3PZ -0.07434 0.57098 -0.02765 -0.70269 0.03672 112 4XX 0.21520 0.10721 -0.09943 -0.02330 -0.07297 113 4YY -0.00051 0.00408 0.03981 -0.00397 0.03298 114 4ZZ -0.22882 -0.06494 0.04311 -0.06350 0.00142 115 4XY 0.14659 -0.01640 -0.06083 -0.00402 0.02554 116 4XZ -0.02638 -0.04678 0.02054 0.01963 0.01796 117 4YZ -0.19399 -0.04275 0.07856 0.04872 -0.01810 118 14 O 1S -0.00041 -0.00262 -0.00129 -0.05075 0.01117 119 2S -0.04557 0.00000 0.00730 -0.82326 0.14898 120 2PX 0.08867 -0.12811 0.00092 -0.02272 0.03665 121 2PY -0.02570 0.04644 -0.00150 0.19766 -0.05606 122 2PZ -0.02740 -0.03057 0.04200 -0.07311 -0.00269 123 3S 0.09500 -0.03224 -0.00481 2.36666 -0.47634 124 3PX -0.27551 0.39620 -0.05272 0.04323 -0.15554 125 3PY 0.09954 -0.14698 0.02799 -0.79101 0.27426 126 3PZ 0.13946 0.08143 -0.17942 0.16049 -0.03709 127 4XX -0.22368 -0.16243 0.08904 -0.13909 0.05504 128 4YY 0.02321 -0.01323 -0.04504 -0.39742 0.04847 129 4ZZ 0.15874 0.16956 -0.04357 -0.10226 0.01051 130 4XY -0.08470 0.11687 0.01308 -0.03638 -0.01812 131 4XZ 0.08449 0.00770 -0.03144 -0.15585 0.03353 132 4YZ 0.12888 -0.05694 -0.06723 0.03009 -0.01965 133 15 C 1S 0.00074 -0.00003 -0.00743 0.00000 -0.00682 134 2S 0.01641 -0.00031 -0.12543 -0.00008 -0.07197 135 2PX -0.00488 0.00006 0.01573 -0.00003 -0.06208 136 2PY -0.00009 -0.03481 -0.00005 -0.22521 0.00009 137 2PZ 0.03082 -0.00005 -0.04163 -0.00003 -0.01871 138 3S 0.03826 0.00091 0.46513 0.00040 0.66549 139 3PX 0.12279 -0.00043 -0.11295 0.00008 0.01767 140 3PY -0.00055 -0.28288 -0.00020 -0.72636 0.00026 141 3PZ -0.34183 0.00033 0.18419 -0.00015 -0.18305 142 4XX -0.09717 0.00005 0.02631 0.00001 -0.03335 143 4YY 0.02024 -0.00007 0.02671 -0.00002 0.04151 144 4ZZ 0.08013 0.00001 -0.04831 0.00003 -0.00089 145 4XY -0.00006 -0.21191 0.00007 0.06644 -0.00002 146 4XZ 0.03032 -0.00002 -0.04431 0.00003 0.03236 147 4YZ 0.00018 0.27120 0.00000 0.09132 -0.00003 148 16 C 1S -0.00383 -0.01655 0.00715 0.02111 -0.00048 149 2S 0.00454 0.08898 0.14023 0.09088 0.17220 150 2PX 0.01488 -0.10477 -0.06916 0.00587 -0.07966 151 2PY -0.03606 -0.01772 0.00618 -0.03438 -0.05612 152 2PZ 0.01503 0.08289 0.02819 0.02015 0.02917 153 3S -0.11227 0.18757 -0.34387 0.74524 -0.30808 154 3PX -0.06454 0.01923 0.08188 0.98320 0.21189 155 3PY 0.12276 0.28201 0.09990 0.90172 0.22859 156 3PZ -0.07489 -0.57177 -0.02724 0.70297 0.03627 157 4XX 0.21486 -0.10745 -0.09951 0.02316 -0.07300 158 4YY -0.00059 -0.00390 0.03984 0.00395 0.03297 159 4ZZ -0.22850 0.06505 0.04315 0.06364 0.00138 160 4XY -0.14659 -0.01594 0.06086 -0.00413 -0.02555 161 4XZ -0.02634 0.04686 0.02053 -0.01961 0.01798 162 4YZ 0.19403 -0.04299 -0.07856 0.04874 0.01806 163 17 H 1S -0.02909 -0.00001 -0.03791 -0.00006 -0.03859 164 2S -0.02216 0.00006 -0.00245 -0.00010 -0.13444 165 18 H 1S 0.01684 -0.00016 -0.03691 0.00000 -0.03041 166 2S 0.19141 -0.00037 -0.23561 -0.00008 -0.00643 167 19 O 1S -0.00041 0.00258 -0.00128 0.05076 0.01114 168 2S -0.04586 -0.00022 0.00733 0.82333 0.14843 169 2PX 0.08913 0.12802 0.00102 0.02281 0.03665 170 2PY 0.02581 0.04644 0.00153 0.19768 0.05593 171 2PZ -0.02715 0.03069 0.04207 0.07319 -0.00274 172 3S 0.09555 0.03322 -0.00509 -2.36696 -0.47481 173 3PX -0.27689 -0.39647 -0.05296 -0.04344 -0.15549 174 3PY -0.10009 -0.14685 -0.02822 -0.79117 -0.27372 175 3PZ 0.13854 -0.08218 -0.17974 -0.16079 -0.03699 176 4XX -0.22349 0.16254 0.08904 0.13919 0.05496 177 4YY 0.02324 0.01317 -0.04501 0.39742 0.04819 178 4ZZ 0.15832 -0.16983 -0.04356 0.10224 0.01047 179 4XY 0.08477 0.11678 -0.01310 -0.03643 0.01815 180 4XZ 0.08436 -0.00778 -0.03150 0.15581 0.03342 181 4YZ -0.12883 -0.05682 0.06729 0.03023 0.01965 182 20 H 1S -0.01872 0.13085 0.14742 -0.17138 -0.01183 183 2S 0.07842 0.20102 0.12129 -0.03231 -0.03448 184 21 H 1S -0.01891 -0.13079 0.14756 0.17149 -0.01197 185 2S 0.07825 -0.20096 0.12163 0.03238 -0.03457 186 22 H 1S -0.01362 0.10267 0.05898 -0.24376 0.04621 187 2S 0.03303 0.14201 0.06951 -0.38016 0.11101 188 23 H 1S -0.01357 -0.10255 0.05907 0.24377 0.04602 189 2S 0.03329 -0.14206 0.06983 0.38035 0.11070 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 0.00886 0.01621 0.01319 0.00180 0.00714 2 2S 0.08478 0.44151 0.29760 0.04304 0.01894 3 2PX -0.01926 0.14541 0.08119 0.00712 -0.00712 4 2PY 0.03671 -0.02995 0.00642 -0.10093 -0.03034 5 2PZ -0.01440 0.03088 0.01756 -0.01867 -0.04833 6 3S -0.58678 -1.82286 -1.23405 0.06984 -0.30093 7 3PX -0.22993 -1.09011 -0.48658 -0.06744 -0.19703 8 3PY -0.24859 0.85249 0.67224 0.29107 0.08729 9 3PZ -0.11431 -1.25664 -0.61017 -0.08876 -0.08375 10 4XX -0.04513 -0.24388 -0.08626 -0.01697 -0.17765 11 4YY 0.03290 0.01239 -0.00089 -0.09012 -0.00055 12 4ZZ 0.04317 0.20702 0.08504 0.11966 0.20295 13 4XY -0.07909 0.01588 -0.01732 0.12177 0.03218 14 4XZ 0.03927 0.06686 0.03819 -0.04703 -0.02559 15 4YZ -0.04069 0.09581 0.05268 -0.01509 -0.00592 16 2 C 1S -0.06584 0.00888 0.02091 -0.00380 -0.00655 17 2S -0.86138 0.21326 0.24321 0.00585 -0.14053 18 2PX -0.12194 0.04613 0.02962 0.01770 0.00300 19 2PY -0.03392 -0.05603 -0.01736 -0.01746 0.04921 20 2PZ 0.06050 -0.11515 -0.03245 0.09042 -0.03196 21 3S 2.89461 0.69992 -0.02521 0.21346 0.44769 22 3PX 0.56275 -0.18159 -0.19375 0.07345 0.04850 23 3PY 0.24697 -0.40103 -0.29750 -0.31089 -0.56068 24 3PZ 0.09272 0.11805 0.17420 0.12381 -0.11841 25 4XX 0.01476 0.21309 0.09796 0.05642 0.09151 26 4YY -0.05884 -0.01228 0.03552 -0.02372 -0.08414 27 4ZZ -0.01481 -0.20045 -0.09827 -0.01144 0.00680 28 4XY 0.13110 0.18226 0.08474 0.04357 0.02075 29 4XZ -0.08615 0.04663 -0.01104 -0.09246 -0.04634 30 4YZ -0.10426 -0.21154 -0.09608 0.16260 -0.01181 31 3 C 1S 0.02590 0.00193 0.01448 0.01470 0.00476 32 2S 0.33614 0.04596 0.26298 0.19182 0.08393 33 2PX 0.02978 0.06849 0.04864 0.04067 0.00010 34 2PY 0.00504 -0.00558 0.01058 0.07057 -0.04898 35 2PZ 0.05335 -0.03428 -0.02592 -0.06379 -0.05726 36 3S -1.44906 -0.34871 -0.94785 -0.58008 -0.14354 37 3PX 0.02068 -0.41047 -0.21785 -0.11537 0.01434 38 3PY -0.48971 0.20978 0.30305 -0.12988 0.17242 39 3PZ 0.32268 0.20090 0.00161 0.24878 0.19691 40 4XX -0.03716 0.00065 -0.00063 -0.04808 0.08653 41 4YY 0.01470 -0.02183 -0.01093 0.20143 0.05165 42 4ZZ 0.03351 0.01297 0.01292 -0.13256 -0.14717 43 4XY -0.00065 0.05655 0.00546 0.04801 -0.05439 44 4XZ 0.12914 0.07509 0.04101 -0.07495 -0.04507 45 4YZ 0.21144 0.06631 0.06005 0.10789 -0.20437 46 4 C 1S 0.02593 -0.00195 -0.01448 0.01468 0.00466 47 2S 0.33645 -0.04623 -0.26305 0.19157 0.08267 48 2PX 0.02974 -0.06850 -0.04865 0.04068 0.00011 49 2PY -0.00507 -0.00565 0.01055 -0.07056 0.04905 50 2PZ 0.05336 0.03426 0.02590 -0.06375 -0.05717 51 3S -1.45082 0.34996 0.94827 -0.57947 -0.13894 52 3PX 0.02149 0.41023 0.21779 -0.11526 0.01407 53 3PY 0.48955 0.20963 0.30296 0.12983 -0.17168 54 3PZ 0.32315 -0.20138 -0.00170 0.24870 0.19638 55 4XX -0.03703 -0.00069 0.00057 -0.04807 0.08644 56 4YY 0.01483 0.02180 0.01095 0.20147 0.05160 57 4ZZ 0.03327 -0.01290 -0.01288 -0.13263 -0.14707 58 4XY 0.00071 0.05658 0.00544 -0.04798 0.05436 59 4XZ 0.12914 -0.07524 -0.04112 -0.07497 -0.04525 60 4YZ -0.21144 0.06644 0.06014 -0.10783 0.20455 61 5 C 1S -0.06585 -0.00882 -0.02090 -0.00380 -0.00653 62 2S -0.86172 -0.21249 -0.24298 0.00582 -0.14036 63 2PX -0.12203 -0.04605 -0.02961 0.01772 0.00295 64 2PY 0.03378 -0.05601 -0.01734 0.01737 -0.04925 65 2PZ 0.06056 0.11514 0.03245 0.09038 -0.03207 66 3S 2.89527 -0.70243 0.02445 0.21405 0.44622 67 3PX 0.56283 0.18108 0.19354 0.07319 0.04828 68 3PY -0.24596 -0.40147 -0.29767 0.31148 0.56045 69 3PZ 0.09330 -0.11833 -0.17435 0.12369 -0.11876 70 4XX 0.01444 -0.21305 -0.09791 0.05641 0.09142 71 4YY -0.05873 0.01235 -0.03551 -0.02360 -0.08412 72 4ZZ -0.01454 0.20038 0.09821 -0.01155 0.00681 73 4XY -0.13095 0.18250 0.08482 -0.04366 -0.02080 74 4XZ -0.08634 -0.04650 0.01112 -0.09251 -0.04615 75 4YZ 0.10395 -0.21172 -0.09615 -0.16258 0.01172 76 6 C 1S 0.00886 -0.01622 -0.01319 0.00181 0.00715 77 2S 0.08471 -0.44157 -0.29764 0.04330 0.01896 78 2PX -0.01940 -0.14542 -0.08120 0.00716 -0.00718 79 2PY -0.03678 -0.02993 0.00644 0.10089 0.03036 80 2PZ -0.01437 -0.03085 -0.01757 -0.01863 -0.04837 81 3S -0.58775 1.82332 1.23413 0.06823 -0.30096 82 3PX -0.22953 1.09061 0.48685 -0.06819 -0.19702 83 3PY 0.24775 0.85212 0.67212 -0.29152 -0.08717 84 3PZ -0.11417 1.25702 0.61042 -0.08958 -0.08366 85 4XX -0.04478 0.24403 0.08628 -0.01702 -0.17760 86 4YY 0.03282 -0.01246 0.00086 -0.09011 -0.00056 87 4ZZ 0.04291 -0.20712 -0.08502 0.11967 0.20288 88 4XY 0.07917 0.01585 -0.01734 -0.12176 -0.03217 89 4XZ 0.03924 -0.06686 -0.03820 -0.04698 -0.02550 90 4YZ 0.04077 0.09576 0.05267 0.01506 0.00591 91 7 H 1S -0.02226 -0.27175 -0.14152 -0.03411 -0.03785 92 2S 0.01962 -0.52927 -0.24150 -0.09385 -0.04125 93 8 H 1S -0.40064 -0.01162 0.04647 0.09512 0.09156 94 2S -0.42935 0.12559 0.12481 0.08770 0.24741 95 9 H 1S 0.10229 0.11403 0.05488 0.01350 0.05465 96 2S 0.14292 0.01886 0.21779 0.17268 -0.08154 97 10 H 1S 0.10231 -0.11415 -0.05488 0.01333 0.05437 98 2S 0.14281 -0.01873 -0.21784 0.17276 -0.08176 99 11 H 1S -0.40044 0.01185 -0.04640 0.09514 0.09165 100 2S -0.42907 -0.12550 -0.12481 0.08792 0.24745 101 12 H 1S -0.02223 0.27186 0.14158 -0.03425 -0.03785 102 2S 0.01967 0.52937 0.24159 -0.09411 -0.04120 103 13 C 1S 0.04040 -0.01154 -0.02963 0.00004 0.02806 104 2S 0.60421 -0.17858 -0.43702 -0.07024 0.23465 105 2PX -0.05267 0.03007 0.15245 0.05057 -0.06214 106 2PY 0.06552 0.02310 -0.05145 0.06822 0.02266 107 2PZ 0.00408 0.03320 -0.03689 -0.00798 0.05289 108 3S -1.95109 0.16266 1.51100 0.29898 -1.27107 109 3PX -0.02043 -0.73280 -0.44815 0.16664 -0.10954 110 3PY -0.80112 -0.35645 0.20501 -0.04314 -0.70164 111 3PZ -0.31342 -0.42164 -0.50421 0.12480 0.00471 112 4XX -0.13149 0.09406 -0.25047 0.00264 0.10740 113 4YY 0.01158 -0.00610 -0.00873 0.02816 -0.02761 114 4ZZ 0.14558 -0.11794 0.23972 -0.03004 -0.03004 115 4XY 0.13904 -0.06846 0.04769 -0.04202 -0.33944 116 4XZ -0.05058 -0.04508 0.06153 0.05973 -0.19655 117 4YZ -0.14716 0.01676 0.15471 -0.04136 0.13419 118 14 O 1S -0.00354 -0.02179 0.00017 0.05705 -0.00342 119 2S -0.06717 -0.45273 0.05988 0.82001 0.01167 120 2PX 0.13682 0.07068 -0.01650 0.03080 0.04641 121 2PY -0.08830 0.05005 -0.02751 -0.07799 -0.15153 122 2PZ 0.12580 0.05562 -0.10647 -0.02442 0.07603 123 3S 0.23706 1.24071 -0.04632 -2.75076 0.08461 124 3PX -0.73382 -0.35945 0.25334 -0.19614 -0.55457 125 3PY 0.42532 -0.15289 -0.05183 0.89500 0.48548 126 3PZ -0.60165 -0.22857 0.24532 -0.12126 -0.58486 127 4XX 0.00868 -0.20351 0.27274 0.14536 0.00311 128 4YY -0.08099 -0.11502 -0.10887 0.38299 -0.10121 129 4ZZ 0.02452 0.01756 -0.14056 0.03602 0.11405 130 4XY 0.01824 -0.13341 0.15334 0.04212 -0.14749 131 4XZ -0.05821 -0.10990 -0.00993 0.24462 -0.08098 132 4YZ -0.08771 0.15773 -0.29335 -0.06999 -0.05620 133 15 C 1S -0.04133 0.00002 0.00000 -0.05842 -0.02187 134 2S -0.49553 0.00017 -0.00009 -0.84473 -0.20563 135 2PX 0.01205 -0.00001 -0.00001 -0.02715 -0.06459 136 2PY 0.00004 -0.01602 -0.08176 0.00004 0.00006 137 2PZ -0.09207 0.00004 -0.00002 -0.07423 -0.13703 138 3S 2.24345 -0.00077 0.00041 3.62611 1.60242 139 3PX -0.26798 0.00010 -0.00008 -0.60172 -0.20761 140 3PY 0.00010 0.03152 -0.23335 0.00015 0.00009 141 3PZ -0.11180 0.00003 -0.00013 -0.76177 0.11013 142 4XX 0.02131 -0.00002 -0.00002 -0.00163 -0.11156 143 4YY 0.05037 -0.00001 0.00002 0.14106 0.23133 144 4ZZ -0.03712 0.00002 0.00000 -0.11794 -0.09497 145 4XY -0.00004 0.03201 -0.10565 -0.00003 -0.00001 146 4XZ -0.01874 0.00004 0.00000 0.19818 -0.22664 147 4YZ 0.00004 -0.04261 0.13029 0.00004 0.00003 148 16 C 1S 0.04041 0.01150 0.02962 0.00004 0.02804 149 2S 0.60446 0.17811 0.43680 -0.07021 0.23447 150 2PX -0.05273 -0.03005 -0.15245 0.05059 -0.06213 151 2PY -0.06546 0.02312 -0.05150 -0.06819 -0.02256 152 2PZ 0.00401 -0.03318 0.03689 -0.00796 0.05293 153 3S -1.95214 -0.16105 -1.51051 0.29859 -1.27043 154 3PX -0.01999 0.73281 0.44819 0.16627 -0.10981 155 3PY 0.80042 -0.35714 0.20490 0.04267 0.70113 156 3PZ -0.31273 0.42178 0.50440 0.12419 0.00433 157 4XX -0.13150 -0.09398 0.25052 0.00258 0.10734 158 4YY 0.01154 0.00611 0.00870 0.02815 -0.02753 159 4ZZ 0.14566 0.11780 -0.23977 -0.03000 -0.03011 160 4XY -0.13909 -0.06844 0.04779 0.04197 0.33939 161 4XZ -0.05062 0.04515 -0.06149 0.05979 -0.19638 162 4YZ 0.14719 0.01667 0.15471 0.04134 -0.13424 163 17 H 1S -0.23758 0.00009 -0.00002 -0.28522 -0.09793 164 2S -0.17537 0.00005 -0.00003 -0.31566 -0.10291 165 18 H 1S -0.18728 0.00007 -0.00001 -0.12627 -0.17724 166 2S -0.33605 0.00009 -0.00002 -0.33205 -0.27349 167 19 O 1S -0.00354 0.02180 -0.00015 0.05705 -0.00342 168 2S -0.06710 0.45283 -0.05963 0.81992 0.01171 169 2PX 0.13679 -0.07079 0.01651 0.03079 0.04640 170 2PY 0.08826 0.04998 -0.02750 0.07799 0.15156 171 2PZ 0.12575 -0.05568 0.10643 -0.02441 0.07604 172 3S 0.23674 -1.24106 0.04541 -2.75026 0.08467 173 3PX -0.73364 0.36004 -0.25335 -0.19615 -0.55442 174 3PY -0.42509 -0.15264 -0.05207 -0.89486 -0.48531 175 3PZ -0.60152 0.22899 -0.24529 -0.12145 -0.58476 176 4XX 0.00875 0.20347 -0.27272 0.14542 0.00321 177 4YY -0.08102 0.11506 0.10910 0.38288 -0.10133 178 4ZZ 0.02454 -0.01749 0.14051 0.03599 0.11406 179 4XY -0.01820 -0.13342 0.15338 -0.04220 0.14749 180 4XZ -0.05819 0.10997 0.01007 0.24463 -0.08082 181 4YZ 0.08769 0.15767 -0.29336 0.07016 0.05624 182 20 H 1S 0.13103 0.04093 -0.04357 0.00952 0.03375 183 2S 0.13315 0.18516 0.02263 -0.03755 -0.05602 184 21 H 1S 0.13087 -0.04108 0.04353 0.00960 0.03411 185 2S 0.13294 -0.18523 -0.02266 -0.03753 -0.05565 186 22 H 1S 0.16761 -0.00477 -0.34684 -0.04710 0.33507 187 2S 0.33023 -0.10428 -0.44357 0.02295 0.31123 188 23 H 1S 0.16771 0.00461 0.34685 -0.04723 0.33485 189 2S 0.33040 0.10400 0.44354 0.02264 0.31077 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 -0.01122 0.00162 0.00062 -0.01335 0.01747 2 2S -0.12822 -0.04603 0.03929 0.04241 0.13394 3 2PX 0.01443 0.02879 0.06882 0.03658 0.04034 4 2PY 0.00485 0.10435 0.07950 -0.10489 -0.01547 5 2PZ 0.02014 0.05755 0.12894 0.06119 0.05692 6 3S 0.66212 0.03661 0.15300 1.12961 -0.50117 7 3PX 0.42206 -0.01511 0.38282 0.36608 -0.20942 8 3PY -0.18959 -0.11991 -0.49119 -0.44215 -0.04668 9 3PZ 0.38585 -0.05122 0.43268 0.50659 -0.14958 10 4XX 0.00204 -0.02477 0.17811 0.03254 0.00840 11 4YY 0.01890 0.17839 -0.02464 0.12612 0.01572 12 4ZZ 0.02451 -0.15698 -0.15860 -0.13249 0.04040 13 4XY -0.04002 -0.08691 -0.00650 0.05160 -0.00699 14 4XZ -0.11786 -0.10981 -0.22732 -0.01457 -0.28997 15 4YZ 0.01857 -0.01896 0.20116 -0.00363 0.00605 16 2 C 1S -0.02082 0.00894 0.01307 0.01184 -0.00027 17 2S -0.21938 -0.15000 0.42541 -0.02974 -0.08276 18 2PX 0.01549 -0.10630 0.05178 -0.04967 -0.09438 19 2PY -0.08137 0.01626 -0.17800 0.05552 -0.03120 20 2PZ 0.16310 -0.16024 0.07976 -0.02023 -0.01131 21 3S 1.44319 0.16596 -1.04354 -0.80885 0.31478 22 3PX 0.50954 0.19338 0.05058 0.53080 0.05509 23 3PY -0.00158 -0.12668 1.24091 0.64339 -0.40434 24 3PZ 0.64790 0.22884 -0.24932 -0.03695 -0.19182 25 4XX 0.03787 0.00107 0.03388 -0.00861 0.15833 26 4YY -0.00260 -0.04569 -0.07290 0.12223 -0.12107 27 4ZZ 0.01896 0.08845 0.02355 -0.11676 0.04437 28 4XY -0.13116 -0.12424 -0.15878 -0.36417 -0.14627 29 4XZ -0.14276 0.03967 -0.01926 0.33705 -0.15189 30 4YZ -0.03611 -0.24404 0.06029 -0.09700 0.01480 31 3 C 1S 0.12517 -0.00040 -0.00853 -0.00077 -0.00966 32 2S 1.56367 0.14081 -0.14264 -0.27126 -0.08535 33 2PX 0.02243 0.05757 0.02214 0.12185 0.03208 34 2PY 0.06204 -0.22716 0.09261 0.00459 -0.05462 35 2PZ -0.12563 0.09404 0.00635 0.05121 0.02303 36 3S -5.60472 -0.22208 0.62166 0.87228 0.29422 37 3PX -0.03142 -0.14675 -0.25726 -1.41125 -0.03049 38 3PY 0.91694 0.24855 -0.20243 -0.29295 0.22965 39 3PZ 0.81707 0.02733 -0.31854 -0.05393 0.08178 40 4XX 0.02078 0.10456 -0.10932 -0.23056 0.11881 41 4YY -0.02781 -0.30971 -0.03432 -0.03623 -0.07208 42 4ZZ 0.05513 0.19210 0.16321 0.28334 -0.03552 43 4XY -0.00588 -0.11450 0.01458 0.26245 0.02229 44 4XZ 0.08605 0.09072 0.10684 0.01461 -0.06952 45 4YZ 0.13275 -0.16749 0.36412 0.03444 -0.02343 46 4 C 1S -0.12519 -0.00029 -0.00838 0.00080 -0.00964 47 2S -1.56394 0.14215 -0.14066 0.27163 -0.08469 48 2PX -0.02244 0.05763 0.02200 -0.12189 0.03188 49 2PY 0.06201 0.22709 -0.09271 0.00468 0.05460 50 2PZ 0.12579 0.09398 0.00623 -0.05124 0.02293 51 3S 5.60587 -0.22669 0.61392 -0.87356 0.29215 52 3PX 0.03080 -0.14713 -0.25538 1.41139 -0.02829 53 3PY 0.91737 -0.24949 0.20124 -0.29276 -0.23027 54 3PZ -0.81759 0.02790 -0.31757 0.05391 0.08198 55 4XX -0.02103 0.10451 -0.10899 0.23052 0.11910 56 4YY 0.02743 -0.30981 -0.03422 0.03638 -0.07205 57 4ZZ -0.05449 0.19227 0.16281 -0.28349 -0.03587 58 4XY -0.00568 0.11443 -0.01429 0.26270 -0.02193 59 4XZ -0.08586 0.09079 0.10718 -0.01467 -0.06961 60 4YZ 0.13230 0.16723 -0.36441 0.03508 0.02338 61 5 C 1S 0.02083 0.00894 0.01302 -0.01184 -0.00030 62 2S 0.21978 -0.15005 0.42500 0.02932 -0.08293 63 2PX -0.01567 -0.10627 0.05185 0.04978 -0.09433 64 2PY -0.08104 -0.01615 0.17807 0.05530 0.03130 65 2PZ -0.16314 -0.16007 0.07992 0.02011 -0.01120 66 3S -1.44466 0.16646 -1.04001 0.80940 0.31668 67 3PX -0.50912 0.19388 0.05026 -0.53062 0.05444 68 3PY -0.00405 0.12633 -1.23966 0.64400 0.40519 69 3PZ -0.64821 0.22925 -0.24853 0.03790 -0.19180 70 4XX -0.03787 0.00116 0.03395 0.00813 0.15843 71 4YY 0.00264 -0.04582 -0.07299 -0.12195 -0.12126 72 4ZZ -0.01898 0.08852 0.02364 0.11684 0.04449 73 4XY -0.13080 0.12446 0.15845 -0.36450 0.14576 74 4XZ 0.14286 0.03969 -0.01981 -0.33670 -0.15242 75 4YZ -0.03590 0.24410 -0.06020 -0.09690 -0.01497 76 6 C 1S 0.01121 0.00161 0.00062 0.01332 0.01749 77 2S 0.12795 -0.04620 0.03936 -0.04287 0.13387 78 2PX -0.01437 0.02880 0.06886 -0.03681 0.04030 79 2PY 0.00453 -0.10434 -0.07965 -0.10485 0.01526 80 2PZ -0.01998 0.05754 0.12895 -0.06139 0.05682 81 3S -0.66146 0.03788 0.15134 -1.12857 -0.50273 82 3PX -0.42122 -0.01445 0.38245 -0.36606 -0.20993 83 3PY -0.18818 0.12047 0.49027 -0.44259 0.04649 84 3PZ -0.38486 -0.05043 0.43189 -0.50683 -0.15016 85 4XX -0.00174 -0.02478 0.17804 -0.03276 0.00838 86 4YY -0.01877 0.17841 -0.02466 -0.12599 0.01553 87 4ZZ -0.02495 -0.15693 -0.15849 0.13243 0.04059 88 4XY -0.03982 0.08699 0.00660 0.05161 0.00717 89 4XZ 0.11751 -0.10993 -0.22748 0.01539 -0.28997 90 4YZ 0.01836 0.01902 -0.20111 -0.00360 -0.00601 91 7 H 1S 0.12122 0.05670 0.39245 0.13877 0.12572 92 2S 0.17698 -0.00003 0.22503 0.18598 -0.04264 93 8 H 1S -0.13487 0.06209 -0.09437 -0.13473 0.14740 94 2S -0.17841 -0.00713 -0.38271 -0.15256 0.13368 95 9 H 1S 0.43474 0.00242 -0.03730 0.28166 -0.05715 96 2S 0.33048 0.06379 0.15439 0.34543 -0.13390 97 10 H 1S -0.43472 0.00287 -0.03718 -0.28144 -0.05751 98 2S -0.33035 0.06417 0.15434 -0.34535 -0.13449 99 11 H 1S 0.13448 0.06199 -0.09445 0.13470 0.14747 100 2S 0.17741 -0.00730 -0.38264 0.15267 0.13378 101 12 H 1S -0.12061 0.05691 0.39231 -0.13931 0.12558 102 2S -0.17639 0.00030 0.22475 -0.18618 -0.04278 103 13 C 1S 0.00437 0.00094 -0.01068 -0.00722 0.01815 104 2S -0.02507 -0.01281 -0.11727 -0.15438 0.34195 105 2PX 0.00476 -0.01381 -0.05846 0.03452 0.09227 106 2PY 0.10182 0.04658 0.07231 0.00401 0.02097 107 2PZ -0.09579 -0.03142 -0.02684 -0.01822 0.19954 108 3S 0.55934 0.02037 -0.05559 0.62484 -0.43613 109 3PX 0.66896 0.11299 0.00025 0.02071 -0.01794 110 3PY -0.83890 -0.08741 -0.39866 -0.30276 -0.01138 111 3PZ 0.98655 0.07734 0.28680 0.09403 -0.18474 112 4XX -0.00619 0.01907 0.05966 -0.01983 -0.08681 113 4YY -0.01848 0.02049 -0.03282 0.00548 0.11498 114 4ZZ 0.08141 -0.05429 -0.03540 0.03315 -0.06604 115 4XY -0.10615 -0.07390 -0.16381 -0.04431 0.20432 116 4XZ -0.09129 0.07371 -0.11050 0.00145 -0.13700 117 4YZ -0.02611 -0.05059 -0.00494 0.04256 0.26341 118 14 O 1S 0.01605 0.02679 0.00077 0.00054 0.00940 119 2S 0.12762 0.43371 0.07288 -0.01537 0.12953 120 2PX 0.01719 0.01194 -0.05322 0.01838 0.00220 121 2PY 0.04211 -0.02621 -0.06274 0.00853 -0.03892 122 2PZ -0.02562 -0.01219 0.00889 -0.00867 0.05844 123 3S -0.74962 -1.41920 -0.10763 -0.04145 -0.41814 124 3PX 0.02005 -0.14223 -0.02439 0.00798 0.09693 125 3PY 0.13136 0.46519 0.19539 0.00521 0.16543 126 3PZ -0.02617 -0.09732 -0.15987 0.01434 -0.09802 127 4XX -0.00925 0.05152 -0.01733 0.02091 0.00731 128 4YY 0.16027 0.18221 -0.03406 -0.01703 0.08568 129 4ZZ -0.01571 0.03332 0.09926 -0.00427 0.00946 130 4XY 0.02333 0.06686 -0.12537 -0.00408 -0.02790 131 4XZ -0.13648 0.16414 0.01429 -0.05725 -0.07936 132 4YZ 0.05581 -0.10452 0.00209 0.01790 0.15684 133 15 C 1S 0.00000 -0.02977 0.01146 0.00001 -0.03006 134 2S -0.00002 -0.45858 0.14949 0.00005 -0.28463 135 2PX 0.00002 0.02920 -0.09250 0.00002 0.07303 136 2PY 0.10023 -0.00003 -0.00008 0.01890 0.00004 137 2PZ 0.00000 -0.06274 -0.04585 -0.00001 0.02806 138 3S 0.00005 1.87821 0.00898 -0.00046 0.93825 139 3PX -0.00004 -0.31822 0.12493 0.00026 -0.72133 140 3PY 0.19503 -0.00002 -0.00018 -0.01325 0.00005 141 3PZ -0.00007 -0.47317 0.13215 -0.00007 0.04946 142 4XX 0.00000 0.03862 -0.15257 0.00000 0.15350 143 4YY 0.00006 0.15517 0.19578 0.00017 -0.39593 144 4ZZ -0.00006 -0.17952 -0.04509 -0.00018 0.27177 145 4XY -0.09812 0.00004 0.00005 -0.03607 -0.00009 146 4XZ 0.00000 0.05054 -0.12549 -0.00008 0.20777 147 4YZ 0.00608 0.00004 0.00007 0.06809 -0.00008 148 16 C 1S -0.00438 0.00093 -0.01066 0.00721 0.01816 149 2S 0.02511 -0.01290 -0.11722 0.15386 0.34245 150 2PX -0.00488 -0.01380 -0.05844 -0.03459 0.09213 151 2PY 0.10171 -0.04666 -0.07249 0.00406 -0.02090 152 2PZ 0.09577 -0.03151 -0.02693 0.01799 0.19957 153 3S -0.55923 0.02121 -0.05554 -0.62402 -0.43756 154 3PX -0.66875 0.11354 0.00095 -0.02058 -0.01797 155 3PY -0.83855 0.08819 0.39908 -0.30303 0.01139 156 3PZ -0.98662 0.07820 0.28768 -0.09392 -0.18476 157 4XX 0.00615 0.01903 0.05972 0.01997 -0.08685 158 4YY 0.01857 0.02046 -0.03290 -0.00554 0.11512 159 4ZZ -0.08156 -0.05417 -0.03532 -0.03318 -0.06622 160 4XY -0.10623 0.07398 0.16397 -0.04415 -0.20453 161 4XZ 0.09141 0.07367 -0.11059 -0.00119 -0.13707 162 4YZ -0.02592 0.05061 0.00501 0.04273 -0.26331 163 17 H 1S -0.00001 -0.20713 0.07899 -0.00002 -0.03280 164 2S 0.00001 -0.14020 -0.06812 -0.00004 0.20165 165 18 H 1S 0.00005 -0.00292 0.01399 0.00022 -0.36281 166 2S 0.00003 -0.09471 -0.09016 0.00005 -0.08659 167 19 O 1S -0.01604 0.02680 0.00079 -0.00054 0.00938 168 2S -0.12741 0.43377 0.07323 0.01527 0.12939 169 2PX -0.01725 0.01197 -0.05326 -0.01835 0.00222 170 2PY 0.04208 0.02616 0.06271 0.00842 0.03904 171 2PZ 0.02559 -0.01222 0.00890 0.00859 0.05849 172 3S 0.74898 -1.41979 -0.10881 0.04154 -0.41749 173 3PX -0.01992 -0.14221 -0.02432 -0.00796 0.09677 174 3PY 0.13123 -0.46525 -0.19557 0.00547 -0.16551 175 3PZ 0.02631 -0.09741 -0.15998 -0.01407 -0.09818 176 4XX 0.00920 0.05154 -0.01738 -0.02087 0.00732 177 4YY -0.16020 0.18230 -0.03370 0.01699 0.08543 178 4ZZ 0.01582 0.03331 0.09923 0.00421 0.00957 179 4XY 0.02326 -0.06692 0.12526 -0.00420 0.02808 180 4XZ 0.13667 0.16398 0.01423 0.05742 -0.07920 181 4YZ 0.05577 0.10453 -0.00221 0.01808 -0.15675 182 20 H 1S -0.40239 -0.04085 -0.08424 0.20817 -0.09636 183 2S -0.24800 -0.03875 -0.03916 0.39229 -0.06866 184 21 H 1S 0.40221 -0.04115 -0.08499 -0.20791 -0.09671 185 2S 0.24804 -0.03886 -0.04011 -0.39225 -0.06929 186 22 H 1S 0.17719 -0.04778 0.09545 -0.00929 0.26061 187 2S 0.60112 0.10176 0.21653 0.01289 -0.08194 188 23 H 1S -0.17731 -0.04768 0.09557 0.00904 0.26084 189 2S -0.60100 0.10223 0.21709 -0.01296 -0.08176 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 -0.00129 -0.01173 0.00808 0.00054 0.00031 2 2S 0.06128 -0.33212 -0.05907 0.08539 0.04610 3 2PX 0.03100 -0.04515 0.02111 0.05788 0.01260 4 2PY -0.04194 0.10044 0.08230 0.17751 -0.07729 5 2PZ 0.02363 0.00539 0.01668 0.05959 0.00741 6 3S 0.13800 0.61164 -0.13719 -0.17787 -0.20369 7 3PX 0.05610 0.25405 -0.13909 -0.34542 0.05853 8 3PY -0.15319 -0.10524 -0.10886 -0.33951 0.04819 9 3PZ 0.19346 0.21507 -0.02387 -0.46796 0.09403 10 4XX -0.01914 -0.15562 -0.20982 0.10485 0.10954 11 4YY 0.03081 0.21565 0.20244 -0.01504 -0.12322 12 4ZZ 0.00116 -0.14532 0.00749 -0.05822 0.00008 13 4XY 0.03809 0.03264 -0.01399 -0.09661 0.19597 14 4XZ -0.06259 0.12720 -0.14347 0.11627 0.04863 15 4YZ 0.01236 0.14874 0.00676 -0.15033 0.20385 16 2 C 1S 0.00093 0.00088 -0.00048 -0.02240 0.00844 17 2S -0.06240 -0.07428 -0.00419 -0.45078 -0.14172 18 2PX -0.02050 0.03815 -0.06489 -0.04121 0.10318 19 2PY -0.06498 -0.02100 -0.06615 0.15554 0.12440 20 2PZ 0.04862 -0.01928 0.02251 -0.05138 0.06944 21 3S 0.27091 -0.14485 0.11441 1.31337 -0.14249 22 3PX 0.18413 0.20338 0.21439 -0.07927 -0.23875 23 3PY 0.21503 0.34590 -0.24164 0.16956 -0.17795 24 3PZ 0.03377 0.25687 -0.17252 0.13906 -0.16144 25 4XX 0.03815 -0.09735 0.18799 -0.25777 -0.00248 26 4YY -0.10529 -0.03097 -0.08150 0.40752 0.00145 27 4ZZ 0.08161 0.07849 -0.04244 -0.09341 -0.03836 28 4XY -0.04954 -0.01416 -0.29689 0.13424 0.06848 29 4XZ -0.01284 0.25128 -0.01006 -0.11376 0.09532 30 4YZ -0.07512 -0.04729 0.10393 -0.15453 0.06340 31 3 C 1S 0.03184 0.03099 0.00551 0.00094 -0.01537 32 2S 0.31294 -0.12494 -0.24121 -0.14921 -0.04509 33 2PX 0.02999 0.00917 -0.06671 -0.02872 -0.05586 34 2PY -0.00272 0.08249 0.11094 0.10590 -0.05526 35 2PZ -0.01176 0.02291 0.01427 0.08716 0.03090 36 3S -1.12380 -0.29525 0.19055 0.13731 0.32743 37 3PX -0.19265 -0.10183 -0.10130 0.52023 0.16786 38 3PY 0.21089 -0.29201 -0.05819 -0.60677 0.18077 39 3PZ 0.16977 -0.03772 0.05722 -0.36512 -0.12723 40 4XX -0.01098 -0.29050 -0.00254 -0.07563 0.10339 41 4YY -0.02387 0.32146 0.22699 -0.05305 -0.18741 42 4ZZ 0.03319 -0.02370 -0.18615 0.16056 0.08893 43 4XY -0.01944 -0.13206 -0.24614 -0.05101 -0.00582 44 4XZ 0.06171 0.21203 -0.09420 0.16619 -0.05315 45 4YZ -0.00770 -0.04109 0.01623 0.30080 -0.02986 46 4 C 1S -0.03183 0.03103 0.00553 -0.00095 -0.01521 47 2S -0.31315 -0.12479 -0.24046 0.14964 -0.04573 48 2PX -0.03001 0.00932 -0.06666 0.02882 -0.05571 49 2PY -0.00276 -0.08244 -0.11083 0.10612 0.05556 50 2PZ 0.01179 0.02296 0.01395 -0.08719 0.03183 51 3S 1.12409 -0.29613 0.18890 -0.13742 0.32518 52 3PX 0.19253 -0.10283 -0.10228 -0.52022 0.16957 53 3PY 0.21091 0.29173 0.05710 -0.60705 -0.18299 54 3PZ -0.16976 -0.03760 0.05862 0.36505 -0.12955 55 4XX 0.01089 -0.29057 -0.00241 0.07559 0.10337 56 4YY 0.02403 0.32142 0.22712 0.05244 -0.18789 57 4ZZ -0.03326 -0.02360 -0.18648 -0.15996 0.08953 58 4XY -0.01925 0.13196 0.24592 -0.05124 0.00767 59 4XZ -0.06174 0.21226 -0.09455 -0.16617 -0.05212 60 4YZ -0.00760 0.04127 -0.01570 0.30066 0.03046 61 5 C 1S -0.00093 0.00090 -0.00047 0.02239 0.00865 62 2S 0.06227 -0.07412 -0.00374 0.45073 -0.13962 63 2PX 0.02039 0.03814 -0.06483 0.04137 0.10342 64 2PY -0.06494 0.02102 0.06642 0.15541 -0.12415 65 2PZ -0.04865 -0.01932 0.02272 0.05147 0.06869 66 3S -0.27074 -0.14558 0.11373 -1.31324 -0.14925 67 3PX -0.18386 0.20354 0.21473 0.07891 -0.24022 68 3PY 0.21509 -0.34611 0.24210 0.16908 0.17926 69 3PZ -0.03388 0.25697 -0.17280 -0.13905 -0.15906 70 4XX -0.03806 -0.09737 0.18864 0.25763 -0.00299 71 4YY 0.10526 -0.03109 -0.08211 -0.40736 -0.00011 72 4ZZ -0.08163 0.07861 -0.04251 0.09327 -0.03648 73 4XY -0.04937 0.01429 0.29708 0.13367 -0.06828 74 4XZ 0.01284 0.25155 -0.00997 0.11374 0.09546 75 4YZ -0.07506 0.04742 -0.10438 -0.15459 -0.06187 76 6 C 1S 0.00130 -0.01173 0.00809 -0.00055 0.00030 77 2S -0.06138 -0.33199 -0.05933 -0.08511 0.04762 78 2PX -0.03102 -0.04514 0.02096 -0.05784 0.01307 79 2PY -0.04199 -0.10029 -0.08212 0.17773 0.07814 80 2PZ -0.02363 0.00544 0.01653 -0.05956 0.00788 81 3S -0.13805 0.61193 -0.13703 0.17763 -0.20627 82 3PX -0.05618 0.25422 -0.13864 0.34555 0.05877 83 3PY -0.15301 0.10506 0.10853 -0.33972 -0.05134 84 3PZ -0.19345 0.21526 -0.02325 0.46799 0.09405 85 4XX 0.01903 -0.15567 -0.20998 -0.10439 0.10903 86 4YY -0.03070 0.21581 0.20240 0.01462 -0.12254 87 4ZZ -0.00115 -0.14543 0.00765 0.05823 -0.00009 88 4XY 0.03812 -0.03271 0.01409 -0.09669 -0.19704 89 4XZ 0.06250 0.12711 -0.14362 -0.11621 0.04769 90 4YZ 0.01233 -0.14870 -0.00697 -0.15038 -0.20392 91 7 H 1S 0.10297 0.10250 0.07305 -0.19712 0.17331 92 2S 0.07097 0.01803 -0.02621 -0.03615 0.02174 93 8 H 1S 0.00727 -0.00965 0.16392 -0.51617 0.04140 94 2S -0.15106 -0.14774 0.07187 -0.05862 0.06056 95 9 H 1S 0.12392 0.25369 0.17348 -0.12603 -0.08073 96 2S 0.13134 -0.00173 -0.06388 0.03151 -0.07966 97 10 H 1S -0.12377 0.25401 0.17380 0.12578 -0.08079 98 2S -0.13151 -0.00141 -0.06387 -0.03137 -0.07973 99 11 H 1S -0.00722 -0.00952 0.16460 0.51583 0.04360 100 2S 0.15104 -0.14774 0.07191 0.05843 0.06133 101 12 H 1S -0.10291 0.10262 0.07330 0.19717 0.17411 102 2S -0.07096 0.01803 -0.02614 0.03626 0.02124 103 13 C 1S 0.00836 0.01018 -0.00141 0.01408 -0.00138 104 2S 0.12257 0.02923 0.13457 0.13340 0.21457 105 2PX -0.01874 0.08756 -0.07045 -0.06256 0.12006 106 2PY -0.18556 -0.00124 0.00907 0.04384 0.02208 107 2PZ -0.02111 0.05423 -0.04890 0.02421 0.07459 108 3S 0.22244 0.09906 -0.25627 -0.61510 0.16526 109 3PX -0.07285 -0.01365 0.06482 -0.08259 -0.17708 110 3PY -0.80631 0.07377 0.04032 -0.01425 0.29427 111 3PZ 0.63112 0.06505 -0.25082 -0.35352 -0.34514 112 4XX -0.00759 0.04174 -0.13777 0.01665 -0.10825 113 4YY 0.04547 0.02469 0.08116 -0.04663 0.10595 114 4ZZ -0.03299 -0.02748 0.00737 -0.00817 -0.01181 115 4XY 0.27396 0.03981 0.00611 0.03156 -0.09331 116 4XZ -0.17032 -0.17976 0.14919 0.05874 -0.22195 117 4YZ 0.05631 0.13129 -0.22152 -0.02798 -0.22538 118 14 O 1S -0.01508 0.01040 -0.01792 -0.01365 -0.01441 119 2S 0.01773 0.26970 -0.24365 0.03238 0.28752 120 2PX -0.00857 -0.05237 0.06137 0.03507 -0.05814 121 2PY -0.21167 -0.03265 0.02569 -0.07741 -0.09226 122 2PZ 0.05543 -0.00189 -0.07238 0.09216 -0.13675 123 3S 0.17657 -0.76100 0.83169 0.28139 -0.27437 124 3PX 0.05458 0.15200 -0.20869 -0.15317 -0.06865 125 3PY 0.29773 0.19170 -0.27848 0.07098 0.02710 126 3PZ -0.14135 -0.01412 0.20843 -0.18096 0.27716 127 4XX 0.07844 0.05577 -0.05240 -0.00803 -0.03675 128 4YY -0.44199 0.11110 -0.10657 -0.08114 0.07354 129 4ZZ 0.29937 -0.01677 0.01171 0.03818 0.05487 130 4XY -0.24522 -0.00650 0.11411 0.05707 0.15834 131 4XZ 0.17118 -0.00821 -0.07729 0.04333 -0.21493 132 4YZ -0.12701 0.06814 -0.13193 0.02419 -0.12452 133 15 C 1S -0.00001 -0.01995 0.01314 -0.00002 -0.02276 134 2S -0.00013 -0.21819 0.13216 -0.00017 -0.06180 135 2PX 0.00005 0.01871 0.04899 -0.00003 -0.00808 136 2PY -0.04619 -0.00001 0.00007 0.10075 -0.00116 137 2PZ 0.00001 -0.00156 -0.00196 -0.00001 -0.03358 138 3S 0.00031 0.83137 -0.80876 0.00093 0.47130 139 3PX -0.00027 -0.40618 0.51731 -0.00047 0.37572 140 3PY -0.19170 0.00002 0.00001 -0.04591 0.00068 141 3PZ -0.00003 -0.04823 -0.11528 0.00005 -0.39534 142 4XX 0.00009 0.08994 0.10170 -0.00005 0.28097 143 4YY -0.00019 -0.16361 -0.00983 -0.00002 -0.30436 144 4ZZ 0.00012 0.09567 -0.09590 0.00009 0.02635 145 4XY 0.05572 0.00003 0.00009 0.16921 -0.00151 146 4XZ 0.00008 0.10485 -0.11035 0.00010 -0.07874 147 4YZ 0.10777 -0.00005 0.00004 0.09151 -0.00164 148 16 C 1S -0.00834 0.01017 -0.00142 -0.01408 -0.00150 149 2S -0.12225 0.02876 0.13475 -0.13354 0.21069 150 2PX 0.01880 0.08770 -0.07047 0.06269 0.12024 151 2PY -0.18557 0.00131 -0.00896 0.04382 -0.02250 152 2PZ 0.02120 0.05416 -0.04895 -0.02411 0.07388 153 3S -0.22285 0.10128 -0.25633 0.61529 0.17574 154 3PX 0.07282 -0.01352 0.06521 0.08249 -0.17782 155 3PY -0.80623 -0.07286 -0.04000 -0.01408 -0.29261 156 3PZ -0.63154 0.06609 -0.25003 0.35393 -0.34255 157 4XX 0.00750 0.04180 -0.13789 -0.01646 -0.10739 158 4YY -0.04537 0.02477 0.08114 0.04652 0.10523 159 4ZZ 0.03295 -0.02750 0.00750 0.00816 -0.01188 160 4XY 0.27374 -0.03980 -0.00621 0.03156 0.09444 161 4XZ 0.17030 -0.18000 0.14908 -0.05906 -0.22130 162 4YZ 0.05615 -0.13134 0.22153 -0.02830 0.22526 163 17 H 1S -0.00003 -0.05476 -0.13262 0.00006 -0.38087 164 2S 0.00009 0.06044 -0.06755 0.00005 -0.19193 165 18 H 1S -0.00012 -0.16461 0.21636 -0.00018 0.02256 166 2S -0.00001 -0.10734 0.17347 -0.00018 0.12476 167 19 O 1S 0.01509 0.01041 -0.01791 0.01368 -0.01447 168 2S -0.01766 0.26999 -0.24386 -0.03189 0.29002 169 2PX 0.00857 -0.05245 0.06140 -0.03517 -0.05733 170 2PY -0.21164 0.03273 -0.02572 -0.07732 0.09354 171 2PZ -0.05546 -0.00191 -0.07250 -0.09207 -0.13560 172 3S -0.17674 -0.76197 0.83172 -0.28295 -0.27902 173 3PX -0.05452 0.15236 -0.20868 0.15343 -0.06844 174 3PY 0.29765 -0.19198 0.27847 0.07036 -0.02870 175 3PZ 0.14140 -0.01408 0.20867 0.18059 0.27604 176 4XX -0.07846 0.05581 -0.05236 0.00811 -0.03641 177 4YY 0.44210 0.11111 -0.10672 0.08131 0.07373 178 4ZZ -0.29942 -0.01668 0.01180 -0.03814 0.05523 179 4XY -0.24521 0.00658 -0.11390 0.05724 -0.15990 180 4XZ -0.17130 -0.00814 -0.07742 -0.04324 -0.21516 181 4YZ -0.12693 -0.06804 0.13194 0.02405 0.12337 182 20 H 1S -0.09043 0.22363 -0.12174 -0.12717 -0.08376 183 2S 0.01335 -0.03400 -0.02140 -0.28876 0.07793 184 21 H 1S 0.09041 0.22362 -0.12154 0.12720 -0.08470 185 2S -0.01339 -0.03379 -0.02087 0.28868 0.07751 186 22 H 1S 0.36620 0.12213 -0.22684 0.01859 -0.25841 187 2S 0.35114 -0.04418 0.01566 -0.05892 -0.19304 188 23 H 1S -0.36608 0.12230 -0.22665 -0.01819 -0.25928 189 2S -0.35124 -0.04389 0.01605 0.05896 -0.19273 141 142 143 144 145 V V V V V Eigenvalues -- 1.97838 1.98101 2.00053 2.01937 2.04161 1 1 C 1S -0.00028 -0.00208 0.01314 -0.00284 0.01247 2 2S 0.16816 0.20973 0.04693 -0.06052 0.08280 3 2PX 0.04695 0.07252 -0.00721 -0.02298 0.00572 4 2PY -0.10039 -0.07542 -0.11690 -0.01908 -0.06557 5 2PZ 0.04768 0.07106 0.05045 0.02871 0.03874 6 3S -0.34384 -0.16289 -0.65655 0.06043 -0.45276 7 3PX 0.01825 0.05759 -0.13782 0.11140 -0.18127 8 3PY 0.37205 0.35514 0.05175 -0.05154 0.10217 9 3PZ -0.00153 0.00186 -0.09370 0.07999 -0.20325 10 4XX -0.05130 -0.02175 0.08301 0.06098 0.03498 11 4YY 0.05854 0.07507 -0.10656 -0.08429 -0.02096 12 4ZZ -0.01063 -0.04652 0.05055 0.04569 0.01071 13 4XY 0.10986 0.11718 0.24318 0.02837 0.07992 14 4XZ -0.10120 -0.07894 -0.08623 0.00256 -0.14114 15 4YZ 0.01736 -0.05053 0.32328 0.08108 0.12306 16 2 C 1S 0.02233 0.02596 -0.01447 -0.00220 -0.00017 17 2S 0.24162 0.16042 -0.71220 0.00302 -0.31271 18 2PX 0.03070 -0.00222 0.05458 0.04536 -0.01672 19 2PY -0.04076 0.00849 0.15625 0.01487 0.08939 20 2PZ -0.06669 -0.13081 0.08275 0.04346 -0.02940 21 3S -0.70903 -0.76990 1.44960 -0.11382 0.58167 22 3PX -0.14889 -0.12455 -0.01442 -0.00486 -0.12294 23 3PY -0.17962 0.01800 -0.63505 0.17829 -0.64172 24 3PZ 0.23265 0.47833 -0.12735 -0.17861 0.01671 25 4XX -0.02422 -0.15932 0.02149 -0.03446 0.00179 26 4YY -0.19614 -0.07385 -0.15611 0.05891 -0.07022 27 4ZZ 0.19974 0.23600 0.14180 -0.05438 0.11668 28 4XY -0.03856 0.02490 0.10303 -0.07689 -0.00350 29 4XZ 0.01688 0.02126 0.03520 0.07355 -0.00932 30 4YZ -0.14567 -0.26625 0.05110 0.06661 0.00904 31 3 C 1S 0.01802 0.02108 0.01873 -0.00579 0.00656 32 2S -0.03435 -0.17870 0.10136 -0.02139 -0.13098 33 2PX 0.01985 0.00592 0.00913 -0.03796 0.01767 34 2PY -0.03401 -0.02589 -0.06330 0.02079 -0.02105 35 2PZ 0.08593 0.14566 0.05685 -0.00166 0.07399 36 3S -0.33379 -0.09410 -0.61314 0.16370 -0.07777 37 3PX 0.13384 0.39287 0.03447 -0.06040 0.12344 38 3PY 0.28744 0.07745 0.01299 -0.01458 0.08593 39 3PZ -0.17690 -0.39912 0.17314 -0.07529 0.00384 40 4XX 0.01392 -0.06813 -0.03367 0.02156 -0.05656 41 4YY -0.05025 -0.06925 -0.00791 -0.03814 0.05104 42 4ZZ 0.04446 0.16893 0.06954 0.01609 0.03157 43 4XY -0.18349 -0.21506 -0.05176 -0.10348 0.03728 44 4XZ 0.09296 0.20601 0.01135 -0.03185 0.00573 45 4YZ -0.08456 0.00964 -0.10399 0.04266 -0.13141 46 4 C 1S -0.01813 -0.02106 0.01877 -0.00580 0.00656 47 2S 0.03394 0.17869 0.10102 -0.02122 -0.13114 48 2PX -0.02031 -0.00593 0.00920 -0.03797 0.01767 49 2PY -0.03347 -0.02573 0.06335 -0.02084 0.02107 50 2PZ -0.08559 -0.14554 0.05716 -0.00177 0.07410 51 3S 0.33608 0.09363 -0.61366 0.16371 -0.07774 52 3PX -0.13236 -0.39267 0.03476 -0.06067 0.12384 53 3PY 0.28587 0.07727 -0.01336 0.01485 -0.08616 54 3PZ 0.17588 0.39907 0.17255 -0.07498 0.00347 55 4XX -0.01331 0.06777 -0.03382 0.02151 -0.05656 56 4YY 0.04872 0.06909 -0.00810 -0.03807 0.05095 57 4ZZ -0.04347 -0.16837 0.06994 0.01605 0.03167 58 4XY -0.18342 -0.21503 0.05217 0.10332 -0.03711 59 4XZ -0.09335 -0.20597 0.01171 -0.03190 0.00579 60 4YZ -0.08409 0.00989 0.10402 -0.04273 0.13147 61 5 C 1S -0.02225 -0.02594 -0.01440 -0.00222 -0.00016 62 2S -0.24345 -0.16131 -0.71184 0.00291 -0.31264 63 2PX -0.02974 0.00245 0.05453 0.04535 -0.01674 64 2PY -0.04204 0.00807 -0.15628 -0.01491 -0.08940 65 2PZ 0.06729 0.13090 0.08245 0.04352 -0.02949 66 3S 0.70865 0.77066 1.44806 -0.11347 0.58138 67 3PX 0.14663 0.12407 -0.01444 -0.00473 -0.12307 68 3PY -0.17751 0.01876 0.63546 -0.17864 0.64207 69 3PZ -0.23399 -0.47822 -0.12620 -0.17882 0.01698 70 4XX 0.02410 0.15916 0.02127 -0.03444 0.00174 71 4YY 0.19607 0.07380 -0.15634 0.05912 -0.07035 72 4ZZ -0.19991 -0.23588 0.14227 -0.05461 0.11686 73 4XY -0.03933 0.02448 -0.10298 0.07686 0.00342 74 4XZ -0.01605 -0.02110 0.03525 0.07356 -0.00934 75 4YZ -0.14607 -0.26617 -0.05065 -0.06672 -0.00895 76 6 C 1S 0.00029 0.00209 0.01314 -0.00284 0.01247 77 2S -0.16765 -0.20958 0.04752 -0.06075 0.08294 78 2PX -0.04683 -0.07249 -0.00702 -0.02303 0.00576 79 2PY -0.09958 -0.07515 0.11712 0.01897 0.06560 80 2PZ -0.04755 -0.07098 0.05063 0.02865 0.03878 81 3S 0.34158 0.16226 -0.65762 0.06119 -0.45340 82 3PX -0.01773 -0.05740 -0.13786 0.11157 -0.18143 83 3PY 0.37150 0.35491 -0.05292 0.05201 -0.10245 84 3PZ 0.00233 -0.00172 -0.09390 0.08021 -0.20345 85 4XX 0.05243 0.02216 0.08287 0.06098 0.03495 86 4YY -0.05976 -0.07542 -0.10619 -0.08432 -0.02088 87 4ZZ 0.01061 0.04642 0.05033 0.04574 0.01064 88 4XY 0.10786 0.11658 -0.24346 -0.02829 -0.07999 89 4XZ 0.10156 0.07897 -0.08653 0.00264 -0.14123 90 4YZ 0.01520 -0.05125 -0.32326 -0.08110 -0.12301 91 7 H 1S 0.09651 0.05881 0.30273 0.06131 0.12979 92 2S -0.06144 -0.04418 -0.07920 0.02728 -0.10681 93 8 H 1S 0.26689 0.11512 0.07281 -0.05689 0.14400 94 2S 0.08931 0.06318 0.06730 -0.07636 0.16282 95 9 H 1S 0.00087 -0.01224 0.10610 0.03097 0.01854 96 2S 0.01080 -0.11442 0.02930 0.04749 -0.10335 97 10 H 1S -0.00137 0.01240 0.10619 0.03101 0.01850 98 2S -0.01148 0.11444 0.02926 0.04759 -0.10353 99 11 H 1S -0.26643 -0.11503 0.07326 -0.05717 0.14418 100 2S -0.08869 -0.06305 0.06751 -0.07647 0.16298 101 12 H 1S -0.09468 -0.05822 0.30289 0.06123 0.12982 102 2S 0.06154 0.04413 -0.07940 0.02742 -0.10691 103 13 C 1S -0.01320 -0.01668 0.00851 0.00491 0.00220 104 2S -0.43576 -0.27322 -0.04368 0.16480 0.30812 105 2PX 0.00944 0.12701 -0.12070 -0.04870 -0.03442 106 2PY 0.04951 -0.03924 0.09403 -0.20069 -0.19561 107 2PZ -0.08630 0.02029 -0.04848 0.05654 -0.01692 108 3S 1.15816 1.15848 -0.52637 -0.20957 -0.08183 109 3PX -0.05091 -0.25887 0.27753 0.15628 0.01643 110 3PY -0.20472 0.00757 -0.39401 0.09604 0.43784 111 3PZ 0.30593 0.17044 0.07114 0.09121 -0.23697 112 4XX 0.08813 0.08119 -0.09524 0.33027 0.02762 113 4YY -0.07799 0.05444 0.18176 -0.35615 -0.29921 114 4ZZ -0.00895 -0.07446 -0.14902 0.05713 0.28465 115 4XY -0.12935 -0.00574 0.07241 0.12474 -0.02145 116 4XZ 0.08404 -0.09626 0.23358 0.06524 0.17923 117 4YZ 0.01895 0.02352 0.11070 0.25477 -0.18344 118 14 O 1S -0.00913 0.01995 -0.00315 0.02232 0.00280 119 2S 0.28794 0.06987 -0.39959 0.05195 0.17511 120 2PX 0.11820 -0.16849 0.06287 0.24744 0.05474 121 2PY -0.16633 0.14764 0.06932 -0.00236 -0.03525 122 2PZ 0.14141 -0.09002 0.01790 0.08269 0.12263 123 3S -0.50360 -0.48097 0.83478 -0.45846 -0.38158 124 3PX -0.01769 0.37162 -0.07089 -0.42621 -0.07606 125 3PY 0.19432 -0.08753 -0.17945 0.20335 0.08822 126 3PZ -0.14182 0.15413 0.01039 -0.01454 -0.29301 127 4XX 0.05310 -0.08534 0.01654 -0.09483 0.10443 128 4YY 0.00494 0.19267 -0.13291 -0.01319 0.09058 129 4ZZ 0.04012 -0.03382 -0.04854 0.18360 -0.14715 130 4XY 0.19258 -0.03901 -0.06295 0.26877 -0.02663 131 4XZ -0.04099 0.11368 0.08627 0.02816 -0.01749 132 4YZ 0.14749 -0.09420 -0.06437 -0.06520 0.22759 133 15 C 1S -0.00007 0.00000 0.03155 -0.02235 -0.03146 134 2S -0.00019 0.00000 0.08920 0.02836 -0.02697 135 2PX 0.00000 0.00000 0.09465 -0.04566 -0.12537 136 2PY 0.29492 -0.17759 -0.00006 0.00001 0.00004 137 2PZ -0.00004 0.00001 0.03846 -0.15602 -0.01711 138 3S 0.00122 -0.00009 -0.97391 0.82051 0.86576 139 3PX 0.00149 -0.00005 0.03279 0.54399 -0.39830 140 3PY -0.16781 0.13936 0.00002 0.00004 -0.00006 141 3PZ -0.00148 0.00009 0.15118 -0.47346 0.46217 142 4XX 0.00105 -0.00003 -0.04339 0.31220 -0.24928 143 4YY -0.00124 0.00002 0.15804 -0.06863 -0.06592 144 4ZZ 0.00018 -0.00001 -0.12889 -0.19926 0.34013 145 4XY 0.39422 -0.32172 -0.00005 0.00003 0.00008 146 4XZ -0.00022 -0.00003 0.11000 -0.11673 -0.35838 147 4YZ 0.41367 -0.29983 -0.00004 0.00003 -0.00001 148 16 C 1S 0.01319 0.01667 0.00847 0.00491 0.00219 149 2S 0.43727 0.27313 -0.04446 0.16491 0.30804 150 2PX -0.00852 -0.12695 -0.12056 -0.04872 -0.03440 151 2PY 0.04918 -0.03935 -0.09401 0.20067 0.19563 152 2PZ 0.08686 -0.02030 -0.04857 0.05660 -0.01686 153 3S -1.15669 -1.15807 -0.52393 -0.20957 -0.08177 154 3PX 0.04953 0.25878 0.27708 0.15648 0.01620 155 3PY -0.20688 0.00747 0.39406 -0.09574 -0.43802 156 3PZ -0.30871 -0.17051 0.07151 0.09129 -0.23716 157 4XX -0.08918 -0.08135 -0.09507 0.33022 0.02766 158 4YY 0.07911 -0.05423 0.18179 -0.35604 -0.29926 159 4ZZ 0.00871 0.07438 -0.14916 0.05707 0.28466 160 4XY -0.12849 -0.00559 -0.07229 -0.12478 0.02142 161 4XZ -0.08576 0.09615 0.23361 0.06515 0.17928 162 4YZ 0.02079 0.02362 -0.11070 -0.25486 0.18329 163 17 H 1S -0.00136 0.00006 0.16958 -0.50496 0.10687 164 2S -0.00069 0.00002 0.13289 -0.24569 0.04503 165 18 H 1S 0.00015 -0.00005 0.21908 0.19773 -0.60094 166 2S 0.00054 -0.00002 0.00904 0.03178 -0.13656 167 19 O 1S 0.00900 -0.01997 -0.00314 0.02232 0.00280 168 2S -0.28592 -0.06971 -0.39929 0.05196 0.17503 169 2PX -0.11875 0.16835 0.06284 0.24744 0.05471 170 2PY -0.16559 0.14766 -0.06933 0.00237 0.03515 171 2PZ -0.14260 0.08996 0.01794 0.08268 0.12263 172 3S 0.50220 0.48086 0.83396 -0.45851 -0.38145 173 3PX 0.01733 -0.37138 -0.07056 -0.42624 -0.07600 174 3PY 0.19434 -0.08745 0.17942 -0.20344 -0.08802 175 3PZ 0.14421 -0.15402 0.01046 -0.01460 -0.29301 176 4XX -0.05336 0.08543 0.01653 -0.09482 0.10438 177 4YY -0.00448 -0.19258 -0.13274 -0.01326 0.09072 178 4ZZ -0.03974 0.03367 -0.04855 0.18365 -0.14727 179 4XY 0.19146 -0.03888 0.06275 -0.26873 0.02663 180 4XZ 0.03933 -0.11377 0.08635 0.02808 -0.01744 181 4YZ 0.14853 -0.09424 0.06429 0.06516 -0.22752 182 20 H 1S -0.08669 -0.16870 0.05744 -0.08968 0.07405 183 2S -0.02144 -0.12248 0.03647 0.02512 0.02171 184 21 H 1S 0.08615 0.16891 0.05721 -0.08963 0.07398 185 2S 0.02213 0.12256 0.03640 0.02518 0.02159 186 22 H 1S -0.09644 -0.07615 0.16466 0.28131 -0.27927 187 2S 0.04951 -0.07050 0.21029 -0.03582 -0.09311 188 23 H 1S 0.09432 0.07595 0.16441 0.28141 -0.27933 189 2S -0.05099 0.07045 0.21017 -0.03573 -0.09320 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 -0.02420 -0.00767 0.00693 0.00305 0.00496 2 2S -0.50751 -0.37216 -0.10815 0.03795 -0.03583 3 2PX -0.05221 -0.14156 -0.00782 0.00348 0.00816 4 2PY 0.16457 0.05265 0.06212 -0.02748 0.07305 5 2PZ -0.06286 -0.11547 -0.02155 0.00764 0.03323 6 3S 0.61389 0.94819 -0.34873 -0.08703 0.28713 7 3PX 0.36128 0.37275 -0.04480 -0.05093 -0.09303 8 3PY -0.22687 -0.32685 -0.19211 0.08949 -0.22217 9 3PZ 0.36947 0.32225 -0.14518 0.00213 0.13491 10 4XX -0.07827 -0.04204 0.05224 -0.01355 -0.09956 11 4YY 0.24072 -0.11403 0.18203 -0.03696 -0.03309 12 4ZZ -0.22868 0.11384 -0.25449 0.06721 0.18384 13 4XY 0.17206 0.08365 0.04906 0.05175 0.09623 14 4XZ 0.21385 0.18809 -0.15476 0.01425 -0.06077 15 4YZ 0.07716 -0.08042 -0.00151 0.06113 -0.18880 16 2 C 1S -0.00632 0.00566 -0.00620 0.00600 -0.00036 17 2S -0.02708 0.18580 0.02885 -0.13027 0.16847 18 2PX 0.11311 0.10395 0.02679 -0.00504 -0.01200 19 2PY -0.01553 0.04339 -0.03279 0.07842 -0.03847 20 2PZ 0.21728 0.01083 0.02862 -0.00449 0.02000 21 3S -0.13399 -0.69410 0.20314 -0.00866 -0.26049 22 3PX 0.16392 -0.42061 -0.44376 0.05232 0.04422 23 3PY 0.18484 0.14834 -0.35662 -0.25349 0.29804 24 3PZ -0.09338 0.06950 0.07503 -0.06428 -0.18475 25 4XX 0.19719 -0.22897 0.08151 0.02945 -0.14379 26 4YY -0.02416 0.09726 -0.17589 0.06596 0.14421 27 4ZZ -0.20284 0.06135 0.12660 -0.07183 -0.00866 28 4XY -0.04151 0.27313 0.16193 -0.11536 -0.07004 29 4XZ 0.10176 0.19426 -0.08323 0.06196 -0.02306 30 4YZ 0.09036 0.06864 -0.09298 0.06000 0.00263 31 3 C 1S -0.00781 0.01016 0.01554 -0.01200 -0.00445 32 2S 0.42804 0.26068 -0.19539 -0.04655 -0.11292 33 2PX -0.01441 -0.00897 0.02595 -0.02387 -0.03456 34 2PY -0.12056 -0.03418 0.08265 -0.03316 0.02767 35 2PZ -0.09788 -0.05367 0.09484 0.00014 0.00954 36 3S -0.16653 -0.44318 -0.12555 0.24002 0.51303 37 3PX 0.06213 0.09151 0.57233 -0.00772 0.04658 38 3PY 0.21708 0.15914 -0.09739 0.15054 -0.11281 39 3PZ 0.33247 0.00004 -0.17818 0.01217 -0.03824 40 4XX 0.41129 -0.14034 0.15279 0.01575 0.12123 41 4YY -0.21638 0.07226 0.17038 -0.06569 -0.01473 42 4ZZ -0.24209 0.03001 -0.24561 0.02990 -0.07161 43 4XY 0.00439 0.13832 0.42612 -0.10236 -0.10176 44 4XZ 0.03480 -0.05555 0.17108 -0.01768 -0.12119 45 4YZ 0.15238 -0.13882 -0.07740 -0.04709 0.00658 46 4 C 1S -0.00784 -0.01015 0.01554 -0.01200 0.00444 47 2S 0.42771 -0.26097 -0.19537 -0.04662 0.11292 48 2PX -0.01440 0.00897 0.02599 -0.02388 0.03454 49 2PY 0.12061 -0.03427 -0.08260 0.03317 0.02767 50 2PZ -0.09777 0.05371 0.09496 0.00018 -0.00958 51 3S -0.16596 0.44345 -0.12671 0.24014 -0.51284 52 3PX 0.06191 -0.09134 0.57248 -0.00759 -0.04672 53 3PY -0.21690 0.15928 0.09715 -0.15058 -0.11288 54 3PZ 0.33237 -0.00029 -0.17855 0.01214 0.03821 55 4XX 0.41126 0.14016 0.15277 0.01576 -0.12120 56 4YY -0.21628 -0.07205 0.17033 -0.06570 0.01468 57 4ZZ -0.24215 -0.03001 -0.24556 0.02990 0.07160 58 4XY -0.00445 0.13822 -0.42640 0.10254 -0.10167 59 4XZ 0.03460 0.05560 0.17068 -0.01761 0.12132 60 4YZ -0.15235 -0.13879 0.07773 0.04707 0.00662 61 5 C 1S -0.00634 -0.00564 -0.00624 0.00599 0.00037 62 2S -0.02762 -0.18558 0.02816 -0.13035 -0.16849 63 2PX 0.11302 -0.10392 0.02677 -0.00508 0.01196 64 2PY 0.01537 0.04340 0.03264 -0.07844 -0.03851 65 2PZ 0.21722 -0.01089 0.02859 -0.00453 -0.02005 66 3S -0.13262 0.69315 0.20528 -0.00836 0.26034 67 3PX 0.16408 0.42039 -0.44422 0.05237 -0.04400 68 3PY -0.18419 0.14814 0.35832 0.25359 0.29795 69 3PZ -0.09360 -0.06931 0.07515 -0.06431 0.18476 70 4XX 0.19732 0.22887 0.08155 0.02945 0.14378 71 4YY -0.02409 -0.09735 -0.17620 0.06600 -0.14405 72 4ZZ -0.20298 -0.06116 0.12685 -0.07187 0.00850 73 4XY 0.04158 0.27303 -0.16230 0.11541 -0.06998 74 4XZ 0.10172 -0.19418 -0.08320 0.06194 0.02309 75 4YZ -0.09037 0.06870 0.09285 -0.05995 0.00258 76 6 C 1S -0.02419 0.00766 0.00695 0.00305 -0.00496 77 2S -0.50736 0.37210 -0.10809 0.03800 0.03602 78 2PX -0.05222 0.14157 -0.00798 0.00351 -0.00810 79 2PY -0.16457 0.05259 -0.06208 0.02746 0.07314 80 2PZ -0.06287 0.11547 -0.02163 0.00766 -0.03319 81 3S 0.61266 -0.94787 -0.35115 -0.08722 -0.28708 82 3PX 0.36082 -0.37270 -0.04542 -0.05112 0.09293 83 3PY 0.22648 -0.32678 0.19138 -0.08945 -0.22234 84 3PZ 0.36904 -0.32224 -0.14618 0.00201 -0.13498 85 4XX -0.07834 0.04200 0.05238 -0.01364 0.09964 86 4YY 0.24082 0.11406 0.18196 -0.03690 0.03294 87 4ZZ -0.22869 -0.11385 -0.25468 0.06726 -0.18377 88 4XY -0.17194 0.08374 -0.04913 -0.05172 0.09621 89 4XZ 0.21380 -0.18804 -0.15467 0.01421 0.06076 90 4YZ -0.07714 -0.08035 0.00163 -0.06114 -0.18874 91 7 H 1S 0.09193 -0.09762 0.14133 0.02322 -0.04711 92 2S 0.12203 0.14750 -0.03574 -0.01533 0.05362 93 8 H 1S 0.01165 -0.04464 0.16782 0.02308 -0.12667 94 2S -0.10634 0.06177 0.15000 0.08949 -0.03819 95 9 H 1S -0.21133 0.04520 -0.40549 0.05431 -0.05605 96 2S -0.06027 0.05264 0.02608 -0.15336 -0.00851 97 10 H 1S -0.21128 -0.04518 -0.40543 0.05433 0.05614 98 2S -0.06023 -0.05266 0.02619 -0.15350 0.00845 99 11 H 1S 0.01163 0.04471 0.16814 0.02305 0.12658 100 2S -0.10624 -0.06172 0.15035 0.08951 0.03820 101 12 H 1S 0.09189 0.09757 0.14127 0.02319 0.04704 102 2S 0.12190 -0.14749 -0.03609 -0.01536 -0.05366 103 13 C 1S 0.00260 -0.00051 0.00370 0.02931 -0.00925 104 2S 0.02962 -0.33179 0.22723 0.49890 -0.01162 105 2PX -0.07170 0.14982 -0.01851 0.01356 0.02892 106 2PY 0.00540 0.00770 -0.11571 -0.20714 -0.07005 107 2PZ -0.04596 -0.02245 0.03372 0.07223 0.00193 108 3S -0.18155 1.23191 -0.07092 -0.52649 0.67221 109 3PX 0.23757 -0.15646 -0.08348 -0.35558 0.19291 110 3PY -0.15451 -0.12900 0.30701 0.47161 -0.42140 111 3PZ 0.20185 0.63354 -0.20163 -0.40932 0.26751 112 4XX 0.01393 0.06114 0.04919 -0.15268 -0.09905 113 4YY -0.04356 -0.01539 -0.10323 -0.22264 0.06337 114 4ZZ 0.02233 0.09782 0.03673 0.42237 0.03412 115 4XY 0.05154 -0.05825 -0.05422 -0.03060 -0.19494 116 4XZ 0.02496 -0.41789 -0.01231 -0.16810 0.07739 117 4YZ 0.04532 0.00709 -0.01936 -0.00818 0.34122 118 14 O 1S 0.00837 -0.00358 -0.00121 0.01026 0.00637 119 2S 0.02736 0.40730 -0.09755 -0.16421 0.09725 120 2PX 0.02095 -0.12333 0.01848 -0.10028 -0.04294 121 2PY -0.00429 -0.11676 0.03760 0.13013 -0.01733 122 2PZ 0.04384 -0.05934 -0.05920 -0.07367 0.06361 123 3S -0.26023 -0.82598 0.30517 0.11054 -0.36336 124 3PX 0.03724 0.33793 -0.15682 -0.05097 0.24584 125 3PY 0.11368 0.20455 -0.14637 -0.09933 0.13455 126 3PZ -0.12570 0.09419 0.17300 -0.12517 -0.17422 127 4XX 0.13466 0.00350 -0.09130 -0.21679 0.11200 128 4YY 0.02523 0.08758 -0.06107 0.01738 0.00469 129 4ZZ -0.12151 0.04416 0.11962 0.19797 -0.08558 130 4XY -0.09783 0.02216 0.15993 -0.00521 -0.29773 131 4XZ 0.04817 -0.06936 -0.03870 0.05673 0.05775 132 4YZ 0.09331 0.01357 -0.10208 -0.01138 0.24723 133 15 C 1S 0.00181 0.00000 -0.00353 -0.02379 0.00000 134 2S -0.06291 0.00011 0.11869 -0.54525 -0.00001 135 2PX 0.01953 -0.00003 -0.08055 0.08813 0.00002 136 2PY 0.00003 0.09742 0.00003 0.00001 0.02689 137 2PZ 0.00597 -0.00001 -0.03115 0.05960 0.00002 138 3S 0.19890 -0.00017 -0.19470 0.89129 -0.00005 139 3PX -0.36933 0.00032 0.56810 -0.79468 -0.00008 140 3PY -0.00004 -0.07224 0.00005 0.00004 0.03457 141 3PZ 0.29281 -0.00015 -0.40707 -0.46845 0.00008 142 4XX -0.07065 0.00011 0.01217 -0.37019 0.00001 143 4YY 0.05357 -0.00009 0.04685 0.32818 -0.00010 144 4ZZ 0.04975 -0.00003 -0.10219 0.04614 0.00009 145 4XY 0.00000 0.05182 -0.00005 -0.00010 -0.49486 146 4XZ -0.07273 -0.00003 0.18017 0.59064 -0.00010 147 4YZ 0.00002 0.11397 0.00005 0.00006 0.43027 148 16 C 1S 0.00262 0.00049 0.00373 0.02931 0.00925 149 2S 0.03010 0.33161 0.22747 0.49895 0.01150 150 2PX -0.07180 -0.14977 -0.01852 0.01351 -0.02892 151 2PY -0.00542 0.00772 0.11568 0.20712 -0.07009 152 2PZ -0.04592 0.02248 0.03375 0.07227 -0.00196 153 3S -0.18357 -1.23125 -0.07268 -0.52670 -0.67217 154 3PX 0.23760 0.15637 -0.08355 -0.35552 -0.19292 155 3PY 0.15392 -0.12910 -0.30783 -0.47147 -0.42123 156 3PZ 0.20111 -0.63347 -0.20228 -0.40946 -0.26756 157 4XX 0.01383 -0.06098 0.04919 -0.15268 0.09906 158 4YY -0.04355 0.01534 -0.10326 -0.22265 -0.06345 159 4ZZ 0.02233 -0.09792 0.03674 0.42234 -0.03404 160 4XY -0.05161 -0.05827 0.05420 0.03060 -0.19494 161 4XZ 0.02510 0.41779 -0.01222 -0.16797 -0.07745 162 4YZ -0.04529 0.00706 0.01940 0.00807 0.34121 163 17 H 1S 0.11011 -0.00013 -0.08748 0.37361 0.00001 164 2S 0.14948 -0.00010 -0.26593 0.05207 0.00005 165 18 H 1S -0.18796 0.00011 0.31884 0.05095 -0.00005 166 2S -0.11897 0.00007 0.06770 0.04135 0.00001 167 19 O 1S 0.00837 0.00358 -0.00121 0.01026 -0.00638 168 2S 0.02707 -0.40721 -0.09770 -0.16433 -0.09725 169 2PX 0.02102 0.12336 0.01851 -0.10023 0.04293 170 2PY 0.00424 -0.11674 -0.03763 -0.13013 -0.01730 171 2PZ 0.04384 0.05926 -0.05923 -0.07367 -0.06360 172 3S -0.25935 0.82583 0.30567 0.11076 0.36340 173 3PX 0.03692 -0.33793 -0.15699 -0.05109 -0.24579 174 3PY -0.11348 0.20460 0.14654 0.09939 0.13451 175 3PZ -0.12576 -0.09389 0.17305 -0.12517 0.17419 176 4XX 0.13467 -0.00353 -0.09129 -0.21681 -0.11195 177 4YY 0.02519 -0.08759 -0.06111 0.01735 -0.00477 178 4ZZ -0.12159 -0.04408 0.11961 0.19800 0.08560 179 4XY 0.09785 0.02204 -0.15998 0.00518 -0.29767 180 4XZ 0.04814 0.06929 -0.03877 0.05677 -0.05780 181 4YZ -0.09329 0.01362 0.10205 0.01135 0.24718 182 20 H 1S -0.10244 -0.12153 0.36358 -0.08163 0.12639 183 2S -0.02396 0.01788 0.17101 -0.01680 -0.05209 184 21 H 1S -0.10236 0.12168 0.36345 -0.08163 -0.12643 185 2S -0.02386 -0.01782 0.17089 -0.01683 0.05204 186 22 H 1S 0.09719 0.04064 -0.07799 -0.13450 0.14455 187 2S 0.15456 0.04295 -0.09112 -0.18504 0.08758 188 23 H 1S 0.09716 -0.04064 -0.07808 -0.13448 -0.14452 189 2S 0.15443 -0.04308 -0.09130 -0.18502 -0.08757 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 0.00534 -0.02238 0.00026 0.01259 0.02770 2 2S 0.29633 -0.28913 -0.03792 0.17014 0.54291 3 2PX 0.06240 0.02101 -0.01853 -0.03326 0.11270 4 2PY -0.06916 -0.02399 0.03769 0.04659 0.05145 5 2PZ 0.07947 -0.02834 0.01446 0.04478 0.11653 6 3S -0.32477 3.02067 -0.05386 -1.28984 -2.44975 7 3PX -0.23298 0.87968 -0.07280 -0.80724 -1.07102 8 3PY 0.03605 -1.01089 -0.01006 0.62381 0.85827 9 3PZ -0.03791 1.37639 -0.03873 -0.43905 -0.91771 10 4XX -0.14051 -0.20797 -0.13608 -0.32785 -0.16320 11 4YY -0.15654 0.06666 0.10499 -0.06418 0.03716 12 4ZZ 0.28921 0.20369 0.01003 0.34044 0.12972 13 4XY -0.02787 -0.01985 -0.03289 0.34213 0.02165 14 4XZ -0.10424 0.02020 -0.02596 -0.00214 -0.17946 15 4YZ 0.08139 0.06051 0.05742 -0.30647 -0.22872 16 2 C 1S -0.00562 0.03001 -0.00757 -0.00580 -0.01773 17 2S -0.15884 0.63345 -0.02557 -0.14968 -0.21026 18 2PX -0.02935 0.06882 0.00078 -0.06022 -0.14262 19 2PY 0.01448 -0.11304 -0.00629 -0.00792 -0.01620 20 2PZ -0.04412 0.04549 -0.00851 -0.01427 -0.14957 21 3S 0.43963 -2.75568 0.11642 1.10624 1.60850 22 3PX 0.19186 0.53756 0.00403 0.18813 0.05143 23 3PY 0.15289 1.83000 -0.18140 -0.50830 -0.87139 24 3PZ -0.23901 -0.43073 -0.01556 -0.01498 0.25075 25 4XX -0.18969 -0.06230 -0.12260 -0.13276 -0.09731 26 4YY 0.33455 0.21254 -0.07659 0.03797 0.09352 27 4ZZ -0.11969 -0.24649 0.19519 0.14500 0.08940 28 4XY -0.27563 -0.29459 0.03564 -0.05690 -0.13912 29 4XZ 0.10733 0.20844 -0.09803 -0.04924 -0.20256 30 4YZ 0.11955 0.14948 0.08356 0.22460 -0.12000 31 3 C 1S -0.00899 -0.04519 -0.00310 0.00477 -0.00361 32 2S -0.01593 -0.23775 -0.13703 0.32463 -0.38936 33 2PX 0.04412 -0.02992 -0.02812 0.03936 -0.02855 34 2PY 0.02307 -0.00239 -0.01280 -0.05412 0.02496 35 2PZ -0.00955 -0.12410 0.05873 -0.04409 0.13809 36 3S 0.07658 2.46531 0.15520 -0.95036 0.09771 37 3PX -0.00283 -0.42906 0.12912 -0.40330 0.46792 38 3PY -0.03144 -0.59300 0.02623 0.00670 -0.10957 39 3PZ -0.13566 -0.41338 -0.03996 0.34839 0.10712 40 4XX 0.18302 0.12502 -0.03172 -0.22133 0.14633 41 4YY -0.02481 0.09672 -0.04748 0.13074 -0.09743 42 4ZZ -0.18506 -0.22750 0.11086 0.00524 0.02688 43 4XY 0.12647 -0.41855 0.00493 0.10470 0.03562 44 4XZ 0.45758 0.18578 -0.21451 -0.01850 -0.21790 45 4YZ -0.10128 0.11229 0.04530 0.03132 -0.12399 46 4 C 1S -0.00905 0.04516 -0.00306 -0.00478 0.00359 47 2S -0.01615 0.23774 -0.13652 -0.32457 0.39012 48 2PX 0.04406 0.02993 -0.02809 -0.03933 0.02853 49 2PY -0.02301 -0.00252 0.01279 -0.05410 0.02523 50 2PZ -0.00971 0.12393 0.05869 0.04408 -0.13819 51 3S 0.07946 -2.46468 0.15341 0.95039 -0.09805 52 3PX -0.00359 0.42873 0.12918 0.40335 -0.46792 53 3PY 0.03227 -0.59314 -0.02682 0.00681 -0.10958 54 3PZ -0.13656 0.41295 -0.03954 -0.34860 -0.10717 55 4XX 0.18306 -0.12506 -0.03192 0.22148 -0.14620 56 4YY -0.02465 -0.09678 -0.04748 -0.13087 0.09687 57 4ZZ -0.18530 0.22751 0.11100 -0.00530 -0.02667 58 4XY -0.12594 -0.41816 -0.00509 0.10458 0.03516 59 4XZ 0.45754 -0.18523 -0.21452 0.01866 0.21790 60 4YZ 0.10118 0.11244 -0.04536 0.03135 -0.12423 61 5 C 1S -0.00558 -0.02999 -0.00758 0.00580 0.01777 62 2S -0.15826 -0.63349 -0.02576 0.14959 0.21057 63 2PX -0.02932 -0.06890 0.00085 0.06020 0.14279 64 2PY -0.01440 -0.11312 0.00622 -0.00793 -0.01614 65 2PZ -0.04412 -0.04558 -0.00837 0.01424 0.14966 66 3S 0.43657 2.75519 0.11680 -1.10613 -1.60987 67 3PX 0.19237 -0.53667 0.00365 -0.18812 -0.05109 68 3PY -0.15468 1.82932 0.18179 -0.50842 -0.87240 69 3PZ -0.23980 0.43083 -0.01537 0.01477 -0.25109 70 4XX -0.18970 0.06235 -0.12255 0.13251 0.09615 71 4YY 0.33471 -0.21196 -0.07673 -0.03792 -0.09341 72 4ZZ -0.11994 0.24586 0.19526 -0.14476 -0.08837 73 4XY 0.27598 -0.29410 -0.03596 -0.05682 -0.13909 74 4XZ 0.10754 -0.20820 -0.09790 0.04923 0.20196 75 4YZ -0.11991 0.14944 -0.08357 0.22441 -0.12096 76 6 C 1S 0.00532 0.02238 0.00025 -0.01260 -0.02775 77 2S 0.29591 0.28976 -0.03828 -0.17012 -0.54361 78 2PX 0.06236 -0.02084 -0.01869 0.03325 -0.11283 79 2PY 0.06908 -0.02378 -0.03764 0.04656 0.05101 80 2PZ 0.07941 0.02846 0.01434 -0.04474 -0.11638 81 3S -0.32193 -3.02056 -0.05342 1.28985 2.45131 82 3PX -0.23227 -0.87994 -0.07233 0.80730 1.07159 83 3PY -0.03517 -1.01082 0.01030 0.62362 0.85823 84 3PZ -0.03649 -1.37652 -0.03861 0.43922 0.91866 85 4XX -0.14084 0.20825 -0.13580 0.32770 0.16186 86 4YY -0.15660 -0.06723 0.10493 0.06419 -0.03638 87 4ZZ 0.28966 -0.20338 0.00977 -0.34033 -0.12932 88 4XY 0.02778 -0.01993 0.03285 0.34212 0.02174 89 4XZ -0.10415 -0.02013 -0.02583 0.00214 0.17983 90 4YZ -0.08142 0.06060 -0.05745 -0.30649 -0.22920 91 7 H 1S 0.03567 0.08589 0.01516 -0.16549 -0.11651 92 2S -0.05456 0.44747 -0.03309 -0.25758 -0.33512 93 8 H 1S -0.24471 -0.21694 0.06734 0.00605 -0.01333 94 2S -0.10011 -0.41340 0.06025 0.08680 0.18065 95 9 H 1S -0.26145 -0.06706 0.05951 0.20427 -0.07161 96 2S 0.12490 0.01809 -0.17052 0.13582 -0.21270 97 10 H 1S -0.26128 0.06708 0.05961 -0.20446 0.07134 98 2S 0.12503 -0.01803 -0.17056 -0.13575 0.21300 99 11 H 1S -0.24489 0.21651 0.06746 -0.00611 0.01337 100 2S -0.10051 0.41320 0.06036 -0.08688 -0.18108 101 12 H 1S 0.03566 -0.08600 0.01523 0.16547 0.11645 102 2S -0.05416 -0.44751 -0.03300 0.25759 0.33532 103 13 C 1S 0.00917 -0.00587 0.01450 -0.00439 0.03589 104 2S 0.06254 -0.06747 0.41310 -0.33296 0.81736 105 2PX 0.03248 0.02028 0.01624 -0.05086 0.11568 106 2PY 0.01079 0.02206 -0.15945 -0.00248 0.05862 107 2PZ 0.00215 0.04071 0.03549 -0.10887 0.22817 108 3S -0.24833 0.58193 -0.42951 0.88683 -3.33640 109 3PX -0.02461 -0.12293 -0.08140 0.32885 -0.96821 110 3PY -0.10527 -0.24419 0.23449 -0.65662 1.54187 111 3PZ -0.16591 0.03457 -0.40308 0.37877 -1.83911 112 4XX 0.08589 0.02576 0.32998 0.17206 -0.14979 113 4YY 0.02634 -0.01451 -0.20865 -0.01940 -0.02515 114 4ZZ -0.10183 0.01309 -0.14994 -0.10852 0.07821 115 4XY 0.03434 0.03353 0.04765 0.01941 0.00137 116 4XZ 0.00415 -0.14635 -0.16204 0.20580 -0.20422 117 4YZ -0.08957 -0.07228 -0.14668 -0.02116 -0.06602 118 14 O 1S -0.00069 -0.00382 0.01178 0.01387 -0.02469 119 2S -0.02156 0.11118 -0.11459 -0.16133 -0.08523 120 2PX -0.01406 -0.03729 0.00223 0.11127 -0.07195 121 2PY 0.00734 -0.03273 0.05178 0.05842 -0.06713 122 2PZ 0.00966 -0.02404 -0.05038 0.03610 -0.09266 123 3S 0.11277 -0.14873 0.07861 -0.08837 1.26645 124 3PX -0.04679 0.03965 -0.20910 -0.15674 -0.32670 125 3PY 0.01685 0.08062 0.02032 0.01635 -0.15835 126 3PZ -0.04912 0.03890 0.01838 0.01346 0.02198 127 4XX 0.15561 -0.05811 0.44485 0.03000 -0.07647 128 4YY -0.03044 0.00528 -0.04914 -0.04237 -0.07275 129 4ZZ -0.13754 0.06466 -0.35873 0.02551 0.06429 130 4XY -0.02973 0.06693 -0.10011 0.11044 0.04046 131 4XZ -0.03543 -0.02315 -0.13984 0.11871 -0.32504 132 4YZ -0.01274 -0.07510 0.01333 -0.13116 -0.08737 133 15 C 1S -0.00306 0.00000 -0.01733 0.00000 0.00001 134 2S -0.02635 -0.00006 -0.22519 -0.00002 0.00033 135 2PX -0.01466 0.00004 -0.00265 -0.00001 -0.00006 136 2PY -0.00001 0.02985 0.00003 -0.02849 -0.00328 137 2PZ -0.00714 0.00002 -0.00542 -0.00002 -0.00002 138 3S 0.14809 0.00002 0.59235 0.00013 -0.00053 139 3PX -0.09927 -0.00021 -0.38695 -0.00004 0.00049 140 3PY -0.00002 -0.00449 0.00002 0.05829 -0.00061 141 3PZ 0.03679 0.00016 -0.23916 -0.00005 0.00008 142 4XX 0.05832 0.00003 0.22069 0.00000 -0.00034 143 4YY 0.02480 0.00002 0.17277 0.00005 -0.00017 144 4ZZ -0.08581 -0.00003 -0.39343 -0.00005 0.00048 145 4XY -0.00002 0.12317 0.00002 0.12012 0.18059 146 4XZ 0.07832 -0.00003 0.33388 0.00007 -0.00022 147 4YZ 0.00004 -0.11209 0.00004 -0.20549 -0.11515 148 16 C 1S 0.00915 0.00587 0.01446 0.00440 -0.03591 149 2S 0.06241 0.06727 0.41233 0.33311 -0.81806 150 2PX 0.03243 -0.02025 0.01615 0.05089 -0.11570 151 2PY -0.01082 0.02195 0.15952 -0.00245 0.05839 152 2PZ 0.00216 -0.04073 0.03530 0.10890 -0.22819 153 3S -0.24737 -0.58200 -0.42669 -0.88701 3.33718 154 3PX -0.02446 0.12283 -0.08061 -0.32892 0.96858 155 3PY 0.10585 -0.24381 -0.23323 -0.65665 1.54192 156 3PZ -0.16558 -0.03455 -0.40155 -0.37915 1.84024 157 4XX 0.08589 -0.02579 0.33010 -0.17206 0.14919 158 4YY 0.02627 0.01465 -0.20867 0.01940 0.02552 159 4ZZ -0.10176 -0.01317 -0.14997 0.10852 -0.07792 160 4XY -0.03439 0.03345 -0.04763 0.01946 0.00137 161 4XZ 0.00418 0.14630 -0.16180 -0.20575 0.20460 162 4YZ 0.08962 -0.07223 0.14665 -0.02113 -0.06629 163 17 H 1S 0.00468 0.00002 -0.01860 0.00000 0.00007 164 2S 0.02716 0.00011 0.07717 -0.00001 -0.00019 165 18 H 1S 0.04248 -0.00007 0.21634 0.00002 -0.00023 166 2S -0.10819 -0.00006 -0.07881 -0.00002 0.00017 167 19 O 1S -0.00068 0.00381 0.01181 -0.01386 0.02468 168 2S -0.02152 -0.11112 -0.11461 0.16134 0.08559 169 2PX -0.01404 0.03722 0.00233 -0.11128 0.07197 170 2PY -0.00734 -0.03273 -0.05186 0.05842 -0.06705 171 2PZ 0.00969 0.02408 -0.05033 -0.03609 0.09274 172 3S 0.11246 0.14878 0.07765 0.08836 -1.26704 173 3PX -0.04675 -0.03949 -0.20886 0.15670 0.32707 174 3PY -0.01695 0.08059 -0.02038 0.01635 -0.15843 175 3PZ -0.04916 -0.03908 0.01842 -0.01347 -0.02194 176 4XX 0.15557 0.05814 0.44489 -0.02998 0.07562 177 4YY -0.03044 -0.00521 -0.04905 0.04240 0.07280 178 4ZZ -0.13747 -0.06482 -0.35879 -0.02553 -0.06349 179 4XY 0.02974 0.06704 0.10016 0.11043 0.04003 180 4XZ -0.03537 0.02323 -0.13953 -0.11871 0.32528 181 4YZ 0.01277 -0.07515 -0.01331 -0.13115 -0.08716 182 20 H 1S 0.26811 0.19087 -0.11762 -0.03156 0.08328 183 2S -0.02698 0.06599 0.08274 0.08552 -0.11621 184 21 H 1S 0.26835 -0.19079 -0.11772 0.03173 -0.08329 185 2S -0.02704 -0.06616 0.08282 -0.08548 0.11641 186 22 H 1S -0.00905 -0.01743 -0.00123 0.06391 -0.22742 187 2S -0.01744 -0.05162 -0.15376 0.23164 -0.60864 188 23 H 1S -0.00902 0.01746 -0.00109 -0.06396 0.22745 189 2S -0.01735 0.05168 -0.15323 -0.23175 0.60896 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 0.01662 -0.00558 -0.00279 0.03279 0.01162 2 2S 0.20466 -0.04850 -0.02197 0.20603 0.07429 3 2PX 0.04280 0.07419 -0.03292 0.12602 0.00415 4 2PY -0.14724 0.04617 -0.07462 0.16077 0.02602 5 2PZ -0.05263 0.04205 -0.00969 0.08321 0.00894 6 3S -0.49202 1.15377 0.53331 0.60750 -0.43377 7 3PX -0.11142 0.29328 0.32166 0.39709 -0.15580 8 3PY 0.08826 -0.70959 -0.16978 0.16633 -0.10212 9 3PZ -0.24721 0.28097 0.36034 0.42509 -0.10952 10 4XX 0.43945 0.02162 0.22369 0.14463 -0.07982 11 4YY -0.22116 0.03271 0.03909 -0.25382 0.08794 12 4ZZ -0.16247 0.01990 -0.27726 0.13190 -0.01200 13 4XY 0.06918 -0.17701 0.44794 -0.15925 0.02554 14 4XZ -0.12317 -0.08331 -0.11305 -0.29164 -0.14947 15 4YZ -0.15401 -0.04237 -0.19937 0.12944 0.07035 16 2 C 1S -0.01288 0.00981 -0.01344 0.05976 -0.02215 17 2S -0.11770 0.49849 0.39359 1.20397 -0.07056 18 2PX -0.04390 0.06015 0.08590 -0.02549 0.00556 19 2PY 0.03144 -0.14165 -0.11429 -0.20212 -0.03034 20 2PZ -0.01840 0.05725 0.20362 -0.13387 0.04873 21 3S 0.57481 -0.59710 -0.55233 -3.64947 0.75062 22 3PX -0.12471 -0.09679 -0.11134 -0.00949 -0.11030 23 3PY -0.33560 0.76952 0.42864 1.91392 -0.19308 24 3PZ 0.10607 0.00662 0.15128 -0.47527 0.09134 25 4XX 0.39070 -0.17609 0.12077 -0.05086 -0.25155 26 4YY -0.00073 0.20290 -0.14000 -0.05781 0.21192 27 4ZZ -0.38167 -0.08516 -0.12885 -0.08235 0.04053 28 4XY 0.03358 -0.06815 0.11106 0.02357 0.08599 29 4XZ 0.19076 0.00704 0.08913 -0.23938 0.05723 30 4YZ -0.31901 -0.21510 -0.07673 0.14094 -0.09937 31 3 C 1S 0.00910 0.03634 0.01018 -0.08731 0.01625 32 2S -0.14291 0.30683 0.04526 -0.54302 0.09228 33 2PX 0.00441 0.07038 -0.01125 0.00255 0.01843 34 2PY 0.05596 0.08808 0.06829 -0.06162 -0.01351 35 2PZ 0.02292 -0.08782 -0.01362 -0.13766 0.05350 36 3S -0.08398 -0.74550 -0.00257 4.01477 -0.50020 37 3PX -0.06678 -0.12561 0.19951 -0.77286 0.05909 38 3PY -0.01921 0.46706 -0.08525 -0.99639 -0.07756 39 3PZ 0.13330 0.51249 0.12028 -1.13624 0.18611 40 4XX 0.00225 0.41688 0.31060 -0.37371 0.08978 41 4YY 0.18346 -0.17462 -0.12094 0.21756 0.05247 42 4ZZ -0.13445 -0.23385 -0.15788 0.14989 -0.13851 43 4XY -0.13948 0.32187 0.11041 0.11684 0.03284 44 4XZ 0.02794 0.05783 -0.08455 -0.01586 -0.14653 45 4YZ -0.06205 -0.28811 0.41439 0.14866 0.03430 46 4 C 1S 0.00906 -0.03635 -0.01019 0.08719 0.01638 47 2S -0.14205 -0.30693 -0.04538 0.54216 0.09308 48 2PX 0.00445 -0.07044 0.01123 -0.00276 0.01846 49 2PY -0.05584 0.08806 0.06827 -0.06185 0.01343 50 2PZ 0.02236 0.08786 0.01362 0.13731 0.05370 51 3S -0.08135 0.74594 0.00304 -4.01098 -0.50624 52 3PX -0.06837 0.12547 -0.19946 0.77294 0.06021 53 3PY 0.01946 0.46710 -0.08527 -0.99699 0.07596 54 3PZ 0.13220 -0.51255 -0.12061 1.13343 0.18771 55 4XX 0.00173 -0.41712 -0.31075 0.37290 0.09018 56 4YY 0.18394 0.17477 0.12069 -0.21803 0.05218 57 4ZZ -0.13464 0.23395 0.15830 -0.14860 -0.13862 58 4XY 0.14009 0.32199 0.11029 0.11689 -0.03271 59 4XZ 0.02894 -0.05778 0.08471 0.01724 -0.14651 60 4YZ 0.06176 -0.28819 0.41436 0.14918 -0.03388 61 5 C 1S -0.01278 -0.00979 0.01347 -0.05949 -0.02223 62 2S -0.11641 -0.49823 -0.39331 -1.20326 -0.07248 63 2PX -0.04343 -0.06019 -0.08597 0.02544 0.00562 64 2PY -0.03139 -0.14163 -0.11422 -0.20253 0.02999 65 2PZ -0.01802 -0.05729 -0.20372 0.13342 0.04887 66 3S 0.56683 0.59610 0.55124 3.64165 0.75620 67 3PX -0.12448 0.09680 0.11125 0.01049 -0.11021 68 3PY 0.33097 0.76934 0.42850 1.91202 0.19606 69 3PZ 0.10485 -0.00649 -0.15130 0.47505 0.09201 70 4XX 0.39094 0.17612 -0.12079 0.05283 -0.25154 71 4YY -0.00086 -0.20289 0.13969 0.05603 0.21200 72 4ZZ -0.38208 0.08511 0.12916 0.08233 0.04079 73 4XY -0.03387 -0.06830 0.11108 0.02447 -0.08579 74 4XZ 0.19141 -0.00711 -0.08932 0.23869 0.05751 75 4YZ 0.31864 -0.21514 -0.07698 0.13994 0.09957 76 6 C 1S 0.01652 0.00557 0.00277 -0.03289 0.01156 77 2S 0.20276 0.04842 0.02187 -0.20621 0.07403 78 2PX 0.04259 -0.07419 0.03285 -0.12589 0.00399 79 2PY 0.14733 0.04618 -0.07465 0.16100 -0.02578 80 2PZ -0.05295 -0.04207 0.00967 -0.08312 0.00884 81 3S -0.48163 -1.15342 -0.53294 -0.60373 -0.43466 82 3PX -0.10720 -0.29326 -0.32162 -0.39580 -0.15651 83 3PY -0.08446 -0.70951 -0.16970 0.16536 0.10242 84 3PZ -0.24329 -0.28097 -0.36030 -0.42416 -0.11032 85 4XX 0.43987 -0.02165 -0.22371 -0.14414 -0.08019 86 4YY -0.22127 -0.03265 -0.03912 0.25305 0.08839 87 4ZZ -0.16266 -0.01996 0.27726 -0.13165 -0.01213 88 4XY -0.06880 -0.17701 0.44810 -0.15903 -0.02556 89 4XZ -0.12266 0.08335 0.11322 0.29314 -0.14896 90 4YZ 0.15303 -0.04233 -0.19940 0.12996 -0.07021 91 7 H 1S 0.02338 0.00509 0.18315 0.13516 0.11075 92 2S -0.04982 0.19341 0.09156 0.02049 -0.03305 93 8 H 1S -0.02980 -0.21462 0.02778 -0.01622 -0.15600 94 2S 0.11567 -0.17118 -0.11874 -0.36959 0.05424 95 9 H 1S 0.09805 -0.23927 -0.21532 -0.05902 -0.02843 96 2S -0.04200 0.08093 0.02158 0.20924 0.13085 97 10 H 1S 0.09822 0.23952 0.21529 0.05884 -0.02833 98 2S -0.04143 -0.08108 -0.02159 -0.20929 0.13064 99 11 H 1S -0.03001 0.21474 -0.02751 0.01775 -0.15595 100 2S 0.11472 0.17121 0.11874 0.36912 0.05482 101 12 H 1S 0.02382 -0.00515 -0.18329 -0.13618 0.11045 102 2S -0.04837 -0.19336 -0.09155 -0.02025 -0.03314 103 13 C 1S 0.00629 -0.02962 -0.01475 -0.03476 0.00272 104 2S 0.11237 -0.67444 -0.06286 -0.35718 -0.06198 105 2PX -0.00133 -0.02422 0.06266 -0.00341 -0.01801 106 2PY -0.04707 -0.04966 -0.03668 -0.07571 -0.00738 107 2PZ -0.00389 -0.14796 0.03061 -0.01438 -0.01526 108 3S -0.19266 2.73343 0.64397 1.86908 -0.01958 109 3PX -0.07747 0.45860 -0.12511 -0.26805 -0.16598 110 3PY 0.06869 -1.25635 -0.13847 -0.59222 0.04384 111 3PZ -0.15232 1.20169 0.05224 0.40865 0.02879 112 4XX 0.09632 0.22696 0.02320 -0.08748 -0.28050 113 4YY -0.05354 0.02310 0.04598 0.07912 0.03304 114 4ZZ -0.04814 -0.14136 -0.06393 0.03188 0.26995 115 4XY 0.01205 -0.07975 -0.09015 -0.17190 -0.04718 116 4XZ -0.07054 0.02413 -0.06042 -0.10256 0.01948 117 4YZ -0.05590 0.06471 0.06181 0.15490 -0.00559 118 14 O 1S -0.00070 0.01629 0.00067 -0.01017 -0.01358 119 2S -0.09083 0.07087 0.09544 0.11045 -0.05386 120 2PX -0.00615 0.05278 -0.02078 -0.05448 -0.04956 121 2PY 0.02223 0.02578 -0.02713 -0.03279 0.00410 122 2PZ -0.01260 0.02569 -0.02206 0.01994 0.03765 123 3S 0.18136 -0.84521 -0.19589 -0.22136 0.33989 124 3PX -0.06657 0.13225 0.06450 0.21247 0.13772 125 3PY -0.04592 0.16203 0.07935 0.05660 -0.15552 126 3PZ -0.04352 0.05416 0.06395 -0.05578 -0.23240 127 4XX 0.15025 0.03308 -0.03750 -0.22017 -0.18501 128 4YY 0.01097 0.01458 -0.00469 0.03515 0.04268 129 4ZZ -0.17873 0.02768 0.06717 0.15271 0.07318 130 4XY -0.08728 0.09223 0.03312 0.02666 -0.24405 131 4XZ -0.02604 0.17217 -0.04475 0.16065 0.10071 132 4YZ 0.04759 -0.10950 -0.07851 -0.03241 0.35404 133 15 C 1S -0.00230 0.00000 0.00000 -0.00001 0.00405 134 2S -0.17438 0.00003 0.00010 0.00033 -0.01204 135 2PX 0.05154 0.00001 -0.00003 -0.00013 0.03021 136 2PY -0.00002 0.00368 0.01965 -0.01621 -0.00003 137 2PZ 0.02230 0.00002 0.00000 -0.00007 -0.00129 138 3S 0.19980 -0.00020 -0.00017 -0.00012 -0.14554 139 3PX -0.24731 0.00007 0.00016 0.00032 0.04780 140 3PY 0.00001 0.03444 -0.01721 -0.10846 -0.00011 141 3PZ 0.02389 0.00000 -0.00005 -0.00015 0.23892 142 4XX 0.14745 0.00004 -0.00008 0.00028 0.64480 143 4YY 0.08183 0.00001 -0.00002 -0.00005 0.01968 144 4ZZ -0.19894 -0.00006 0.00007 -0.00035 -0.64596 145 4XY 0.00032 0.06844 0.09079 0.15301 0.00016 146 4XZ 0.06421 -0.00003 -0.00001 0.00007 -0.10427 147 4YZ -0.00022 -0.12404 -0.08205 -0.03669 0.00004 148 16 C 1S 0.00618 0.02961 0.01474 0.03472 0.00278 149 2S 0.10972 0.67431 0.06273 0.35750 -0.06131 150 2PX -0.00171 0.02420 -0.06267 0.00325 -0.01801 151 2PY 0.04725 -0.04966 -0.03670 -0.07568 0.00727 152 2PZ -0.00459 0.14794 -0.03062 0.01447 -0.01521 153 3S -0.18148 -2.73310 -0.64365 -1.86878 -0.02280 154 3PX -0.07442 -0.45871 0.12512 0.26811 -0.16545 155 3PY -0.06346 -1.25622 -0.13847 -0.59218 -0.04487 156 3PZ -0.14626 -1.20187 -0.05216 -0.40875 0.02805 157 4XX 0.09679 -0.22697 -0.02311 0.08752 -0.28027 158 4YY -0.05349 -0.02314 -0.04600 -0.07934 0.03291 159 4ZZ -0.04834 0.14143 0.06386 -0.03195 0.26979 160 4XY -0.01202 -0.07972 -0.09015 -0.17191 0.04689 161 4XZ -0.07006 -0.02422 0.06038 0.10252 0.01965 162 4YZ 0.05567 0.06463 0.06175 0.15496 0.00581 163 17 H 1S -0.02664 -0.00003 0.00002 -0.00019 -0.34738 164 2S 0.11133 0.00000 -0.00007 -0.00009 0.17196 165 18 H 1S 0.07233 0.00003 -0.00002 0.00023 0.33263 166 2S -0.08990 0.00007 0.00008 0.00004 -0.28907 167 19 O 1S -0.00063 -0.01630 -0.00068 0.01017 -0.01356 168 2S -0.09041 -0.07090 -0.09540 -0.11028 -0.05400 169 2PX -0.00598 -0.05279 0.02080 0.05449 -0.04947 170 2PY -0.02240 0.02579 -0.02712 -0.03272 -0.00415 171 2PZ -0.01229 -0.02570 0.02204 -0.01991 0.03763 172 3S 0.17713 0.84536 0.19586 0.22110 0.34018 173 3PX -0.06539 -0.13219 -0.06450 -0.21250 0.13736 174 3PY 0.04534 0.16215 0.07936 0.05639 0.15562 175 3PZ -0.04364 -0.05408 -0.06381 0.05578 -0.23227 176 4XX 0.15050 -0.03315 0.03750 0.22031 -0.18454 177 4YY 0.01125 -0.01451 0.00469 -0.03530 0.04273 178 4ZZ -0.17900 -0.02771 -0.06720 -0.15270 0.07270 179 4XY 0.08746 0.09228 0.03302 0.02680 0.24407 180 4XZ -0.02495 -0.17210 0.04475 -0.16068 0.10047 181 4YZ -0.04788 -0.10954 -0.07838 -0.03263 -0.35408 182 20 H 1S -0.00832 -0.12722 0.10416 0.23223 -0.01607 183 2S -0.08665 0.28075 -0.05999 0.08828 0.01999 184 21 H 1S -0.00855 0.12701 -0.10412 -0.23165 -0.01652 185 2S -0.08630 -0.28068 0.06006 -0.08807 0.01992 186 22 H 1S -0.01204 0.15675 -0.01288 -0.00698 -0.11080 187 2S -0.03707 0.40359 -0.02580 0.00610 0.03432 188 23 H 1S -0.01126 -0.15675 0.01291 0.00701 -0.11074 189 2S -0.03512 -0.40366 0.02577 -0.00621 0.03427 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 0.02271 -0.00318 0.00735 -0.00399 0.00818 2 2S 0.09656 0.06926 0.30710 -0.10883 0.07318 3 2PX -0.01322 0.02445 0.06995 -0.07486 -0.03992 4 2PY 0.00980 0.00225 0.00298 -0.03040 -0.07371 5 2PZ -0.00563 0.00904 0.05349 -0.03730 -0.03026 6 3S -0.79875 0.16818 -0.41273 -0.71820 -0.26687 7 3PX -0.29606 0.11891 -0.28542 -0.31735 -0.12888 8 3PY -0.16592 0.05129 0.02286 -0.10353 0.01861 9 3PZ -0.25819 0.17670 -0.13636 -0.37553 -0.06708 10 4XX -0.06609 -0.00704 -0.09881 -0.04648 -0.02811 11 4YY 0.12557 0.01316 0.00116 0.04095 -0.06553 12 4ZZ -0.05602 -0.02216 0.01876 0.00883 0.08417 13 4XY 0.02805 0.08748 0.08448 0.05410 -0.08158 14 4XZ -0.32053 0.02703 -0.11487 0.08590 -0.00729 15 4YZ 0.07936 -0.10162 -0.01050 0.01102 -0.03907 16 2 C 1S -0.05661 0.01409 0.02280 -0.01257 -0.00751 17 2S -0.14946 0.27703 0.29639 -0.67645 -0.02007 18 2PX -0.01068 0.03312 -0.00382 0.00823 -0.03726 19 2PY -0.07983 -0.03914 -0.06421 0.15930 -0.00589 20 2PZ 0.07184 0.04800 -0.08621 -0.03368 -0.02227 21 3S 1.67848 -0.51956 -0.92682 1.33094 0.15570 22 3PX -0.09768 -0.08488 -0.32152 -0.36687 -0.06645 23 3PY -0.42395 0.12743 0.48841 -0.98422 -0.15586 24 3PZ 0.16834 0.24173 -0.24971 -0.14904 -0.07553 25 4XX -0.37541 -0.05325 0.01643 0.11739 0.03211 26 4YY 0.36598 0.02810 -0.03792 -0.00363 -0.18682 27 4ZZ -0.02334 -0.01891 0.00721 0.07036 0.15737 28 4XY 0.17747 -0.01734 -0.06976 -0.04220 -0.02854 29 4XZ 0.17462 0.02672 -0.10190 0.03889 0.09888 30 4YZ -0.21314 -0.08779 0.12822 0.10921 0.05443 31 3 C 1S 0.02623 0.01997 -0.05257 -0.00485 0.00357 32 2S 0.16630 0.23772 -0.42386 -0.09537 -0.24065 33 2PX 0.05138 0.01960 -0.03154 -0.04957 -0.03304 34 2PY -0.04582 0.03117 -0.05658 -0.04512 0.03159 35 2PZ 0.06971 -0.02882 0.01267 0.09529 0.10861 36 3S -0.77808 -0.74698 2.12702 -0.32297 0.06754 37 3PX 0.02678 -0.09964 0.48344 0.90830 0.19670 38 3PY -0.07217 0.27895 -0.64345 0.11158 -0.08491 39 3PZ 0.54222 0.24604 -0.90343 -0.32913 -0.21672 40 4XX 0.16138 0.09302 -0.01387 0.04838 0.08435 41 4YY 0.09049 -0.09083 0.18749 0.10955 0.01260 42 4ZZ -0.25576 -0.03803 -0.15171 -0.14373 -0.00201 43 4XY -0.03617 0.02020 0.32899 0.16401 0.06081 44 4XZ -0.31643 -0.09017 0.41000 0.42680 0.02383 45 4YZ 0.10916 -0.03787 0.06760 -0.10370 0.03732 46 4 C 1S 0.02660 -0.01998 0.05255 0.00482 0.00353 47 2S 0.16864 -0.23781 0.42386 0.09536 -0.24087 48 2PX 0.05141 -0.01963 0.03151 0.04952 -0.03301 49 2PY 0.04554 0.03116 -0.05659 -0.04514 -0.03160 50 2PZ 0.07021 0.02881 -0.01273 -0.09546 0.10859 51 3S -0.79477 0.74739 -2.12670 0.32381 0.06886 52 3PX 0.02963 0.09962 -0.48321 -0.90834 0.19637 53 3PY 0.06775 0.27898 -0.64382 0.11125 0.08542 54 3PZ 0.54730 -0.24624 0.90324 0.32896 -0.21722 55 4XX 0.16257 -0.09302 0.01354 -0.04879 0.08430 56 4YY 0.08958 0.09076 -0.18749 -0.10955 0.01270 57 4ZZ -0.25602 0.03810 0.15201 0.14409 -0.00205 58 4XY 0.03687 0.02015 0.32911 0.16405 -0.06089 59 4XZ -0.31687 0.09032 -0.40982 -0.42646 0.02381 60 4YZ -0.10844 -0.03782 0.06742 -0.10375 -0.03727 61 5 C 1S -0.05684 -0.01407 -0.02279 0.01262 -0.00751 62 2S -0.15420 -0.27696 -0.29625 0.67666 -0.01971 63 2PX -0.01055 -0.03317 0.00383 -0.00812 -0.03737 64 2PY 0.07903 -0.03912 -0.06425 0.15923 0.00602 65 2PZ 0.07239 -0.04805 0.08620 0.03370 -0.02239 66 3S 1.69288 0.51886 0.92629 -1.33249 0.15550 67 3PX -0.09726 0.08491 0.32150 0.36668 -0.06667 68 3PY 0.43147 0.12724 0.48830 -0.98469 0.15552 69 3PZ 0.17054 -0.24178 0.24964 0.14846 -0.07577 70 4XX -0.37529 0.05334 -0.01629 -0.11711 0.03212 71 4YY 0.36617 -0.02822 0.03784 0.00346 -0.18672 72 4ZZ -0.02286 0.01895 -0.00731 -0.07051 0.15715 73 4XY -0.17726 -0.01729 -0.06973 -0.04208 0.02836 74 4XZ 0.17544 -0.02674 0.10180 -0.03915 0.09894 75 4YZ 0.21389 -0.08796 0.12821 0.10910 -0.05459 76 6 C 1S 0.02257 0.00317 -0.00735 0.00396 0.00824 77 2S 0.09573 -0.06934 -0.30702 0.10863 0.07346 78 2PX -0.01366 -0.02448 -0.06990 0.07491 -0.03989 79 2PY -0.00915 0.00226 0.00299 -0.03052 0.07357 80 2PZ -0.00593 -0.00906 -0.05348 0.03729 -0.03024 81 3S -0.80063 -0.16788 0.41271 0.71883 -0.26865 82 3PX -0.29741 -0.11879 0.28542 0.31763 -0.12934 83 3PY 0.16663 0.05134 0.02279 -0.10363 -0.01913 84 3PZ -0.25979 -0.17656 0.13638 0.37585 -0.06750 85 4XX -0.06669 0.00702 0.09889 0.04654 -0.02788 86 4YY 0.12667 -0.01318 -0.00120 -0.04096 -0.06587 87 4ZZ -0.05658 0.02220 -0.01882 -0.00886 0.08427 88 4XY -0.02838 0.08755 0.08442 0.05401 0.08151 89 4XZ -0.31930 -0.02694 0.11494 -0.08567 -0.00765 90 4YZ -0.07882 -0.10158 -0.01049 0.01102 0.03906 91 7 H 1S 0.19071 -0.00543 0.05268 -0.03158 -0.03717 92 2S -0.08709 0.06934 -0.08890 -0.07042 -0.00632 93 8 H 1S -0.32048 0.03206 0.05154 0.09872 0.11058 94 2S 0.12231 -0.03064 -0.11492 0.25479 0.02793 95 9 H 1S 0.07900 0.01586 -0.46439 -0.31693 -0.11700 96 2S -0.05405 0.09438 0.07211 -0.10224 0.06651 97 10 H 1S 0.07957 -0.01589 0.46438 0.31686 -0.11707 98 2S -0.05500 -0.09445 -0.07214 0.10226 0.06674 99 11 H 1S -0.32042 -0.03193 -0.05147 -0.09855 0.11048 100 2S 0.12376 0.03054 0.11495 -0.25486 0.02781 101 12 H 1S 0.19008 0.00535 -0.05269 0.03153 -0.03702 102 2S -0.08715 -0.06928 0.08891 0.07055 -0.00652 103 13 C 1S 0.00834 0.01126 0.00394 0.01697 0.03375 104 2S -0.12611 -0.51016 0.11072 0.54573 0.01613 105 2PX 0.03148 -0.09575 0.00961 0.06935 -0.22956 106 2PY 0.02401 0.16255 0.01933 -0.01110 -0.15522 107 2PZ -0.03397 -0.09468 0.07560 0.10305 -0.09654 108 3S -0.04550 0.01797 -0.83464 -1.62266 -0.72290 109 3PX 0.02307 -0.66293 -0.75490 0.05479 -0.40313 110 3PY -0.08056 0.40202 0.73918 0.67761 0.21215 111 3PZ 0.01370 0.27180 -0.74615 -0.52685 -0.53818 112 4XX 0.10240 -0.29374 0.01520 -0.30047 -0.09033 113 4YY 0.04533 -0.23432 -0.00363 0.03077 0.09026 114 4ZZ -0.07568 0.62798 -0.04116 0.17397 0.03610 115 4XY 0.03071 0.29751 0.31650 -0.32422 0.04145 116 4XZ -0.03668 0.02314 -0.13631 0.14558 -0.39508 117 4YZ 0.02734 -0.11529 -0.23718 0.26313 -0.00600 118 14 O 1S 0.00137 -0.00299 -0.02145 -0.00521 -0.06143 119 2S -0.08073 -0.21696 -0.01904 0.11455 -0.92389 120 2PX 0.02041 -0.00671 -0.06427 -0.05075 -0.01494 121 2PY 0.01412 0.08674 -0.00863 -0.02708 0.08657 122 2PZ -0.02202 0.05664 0.02613 -0.01070 -0.02237 123 3S 0.11489 0.43897 0.63196 0.06588 3.05713 124 3PX -0.05045 0.10934 0.04515 0.01809 -0.25909 125 3PY -0.05131 -0.32728 -0.19771 0.05730 -1.28059 126 3PZ 0.09502 -0.24641 -0.10318 -0.03738 -0.01309 127 4XX 0.02404 -0.38467 0.11894 -0.26091 -0.22176 128 4YY 0.04363 0.12822 0.07777 -0.08048 0.37413 129 4ZZ -0.05970 0.21922 -0.31355 0.30756 -0.42536 130 4XY 0.11142 0.02707 -0.05747 -0.04569 0.09099 131 4XZ -0.00726 0.23575 -0.05997 -0.03264 0.31722 132 4YZ -0.20524 0.24648 0.16022 -0.04141 -0.09788 133 15 C 1S 0.01004 -0.00001 0.00001 -0.00001 0.07428 134 2S -0.17439 0.00003 0.00000 0.00015 -0.43897 135 2PX 0.08382 -0.00003 0.00005 -0.00007 0.37889 136 2PY -0.00005 -0.08065 -0.00675 0.02808 -0.00005 137 2PZ 0.05889 -0.00003 0.00007 -0.00006 0.41718 138 3S -0.06266 0.00009 -0.00050 0.00013 -2.14700 139 3PX -0.11053 -0.00002 0.00023 0.00004 0.79016 140 3PY -0.00023 -0.05022 -0.12135 0.02705 -0.00003 141 3PZ 0.03608 -0.00009 0.00014 -0.00006 0.57051 142 4XX -0.36905 -0.00002 0.00011 0.00009 0.10364 143 4YY 0.01285 0.00001 -0.00009 0.00000 0.02703 144 4ZZ 0.41652 0.00000 -0.00002 -0.00014 0.04160 145 4XY 0.00034 0.03659 -0.16066 0.09172 0.00008 146 4XZ -0.04251 0.00005 -0.00017 0.00006 -0.56707 147 4YZ -0.00016 0.00438 0.31427 -0.17745 -0.00007 148 16 C 1S 0.00847 -0.01127 -0.00394 -0.01699 0.03374 149 2S -0.12477 0.51021 -0.11100 -0.54573 0.01600 150 2PX 0.03148 0.09576 -0.00970 -0.06935 -0.22955 151 2PY -0.02426 0.16255 0.01933 -0.01109 0.15526 152 2PZ -0.03394 0.09474 -0.07566 -0.10303 -0.09649 153 3S -0.05210 -0.01779 0.83474 1.62292 -0.72256 154 3PX 0.02453 0.66293 0.75477 -0.05465 -0.40351 155 3PY 0.07865 0.40196 0.73908 0.67747 -0.21201 156 3PZ 0.01246 -0.27174 0.74642 0.52718 -0.53842 157 4XX 0.10296 0.29380 -0.01530 0.30038 -0.09027 158 4YY 0.04507 0.23431 0.00380 -0.03091 0.09030 159 4ZZ -0.07607 -0.62807 0.04117 -0.17379 0.03603 160 4XY -0.03147 0.29753 0.31647 -0.32415 -0.04151 161 4XZ -0.03629 -0.02307 0.13625 -0.14555 -0.39516 162 4YZ -0.02656 -0.11504 -0.23721 0.26317 0.00611 163 17 H 1S 0.21980 0.00001 -0.00006 -0.00007 -0.01726 164 2S -0.01285 -0.00002 0.00001 -0.00003 0.04486 165 18 H 1S -0.23304 0.00000 0.00007 0.00007 0.09795 166 2S 0.09431 0.00005 -0.00001 -0.00003 0.06373 167 19 O 1S 0.00142 0.00300 0.02142 0.00521 -0.06144 168 2S -0.08116 0.21704 0.01876 -0.11432 -0.92391 169 2PX 0.02068 0.00672 0.06426 0.05075 -0.01495 170 2PY -0.01423 0.08676 -0.00863 -0.02705 -0.08656 171 2PZ -0.02212 -0.05664 -0.02612 0.01072 -0.02237 172 3S 0.11541 -0.43928 -0.63092 -0.06649 3.05736 173 3PX -0.05133 -0.10935 -0.04514 -0.01800 -0.25908 174 3PY 0.05141 -0.32744 -0.19732 0.05704 1.28064 175 3PZ 0.09541 0.24640 0.10310 0.03738 -0.01286 176 4XX 0.02519 0.38474 -0.11909 0.26091 -0.22169 177 4YY 0.04340 -0.12835 -0.07774 0.08036 0.37412 178 4ZZ -0.06042 -0.21911 0.31350 -0.30743 -0.42546 179 4XY -0.11130 0.02711 -0.05743 -0.04563 -0.09107 180 4XZ -0.00802 -0.23581 0.06011 0.03260 0.31720 181 4YZ 0.20519 0.24650 0.16006 -0.04143 0.09805 182 20 H 1S -0.13289 0.02075 -0.28834 -0.42937 0.03837 183 2S -0.06026 0.07883 -0.13394 -0.20620 0.15174 184 21 H 1S -0.13355 -0.02072 0.28834 0.42944 0.03840 185 2S -0.06043 -0.07878 0.13394 0.20615 0.15177 186 22 H 1S 0.05349 -0.23430 -0.20466 -0.01257 0.01944 187 2S 0.02909 -0.00316 -0.36668 -0.13975 -0.19920 188 23 H 1S 0.05361 0.23425 0.20466 0.01254 0.01937 189 2S 0.02920 0.00311 0.36673 0.13978 -0.19933 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 0.03653 0.09124 -0.00239 0.05513 -0.02317 2 2S -0.07572 0.29580 -0.03107 0.06315 0.08113 3 2PX -0.27701 -0.11484 -0.01122 -0.02739 0.16221 4 2PY -0.27520 0.18525 -0.12237 0.22627 0.03221 5 2PZ -0.20691 -0.07057 -0.02518 -0.04384 0.16303 6 3S -0.96274 -4.83426 0.18289 -2.07841 0.96156 7 3PX -0.41391 -1.32165 -0.09869 -0.44475 0.33895 8 3PY -0.05183 1.45837 -0.45469 0.74825 0.40110 9 3PZ -0.39134 -1.40701 -0.32131 -0.36319 0.28889 10 4XX -0.07558 0.19368 0.09701 0.37309 0.12828 11 4YY -0.08993 -0.44859 0.24060 -0.44638 -0.20668 12 4ZZ 0.16435 0.23931 -0.26473 0.09945 0.19644 13 4XY -0.31765 0.10301 -0.11044 0.11640 0.10379 14 4XZ -0.24123 -0.46356 -0.11113 -0.17183 0.39645 15 4YZ -0.24341 0.23611 -0.32442 -0.27789 0.13953 16 2 C 1S -0.05664 -0.05182 -0.01610 0.00464 -0.00421 17 2S 0.00722 -0.62631 -0.01428 -0.19463 -0.06752 18 2PX -0.18052 -0.13241 -0.07432 -0.14009 0.18708 19 2PY -0.15215 0.03967 -0.04987 0.03577 0.06794 20 2PZ -0.10576 -0.11430 -0.06722 -0.11894 0.26213 21 3S 1.49369 3.28160 0.56768 0.84978 -0.13162 22 3PX -0.29028 -0.49616 -0.24042 -0.09077 0.61770 23 3PY -0.66709 -1.76820 -0.22753 -0.50823 0.02266 24 3PZ -0.09924 -0.14127 0.18667 -0.09802 0.86652 25 4XX 0.03654 -0.08725 0.19028 0.30001 -0.21488 26 4YY -0.39026 0.18179 0.02108 0.13589 -0.24619 27 4ZZ 0.29652 -0.00328 -0.14543 -0.33914 0.40003 28 4XY 0.19802 0.21174 0.07108 0.08539 -0.43685 29 4XZ 0.63515 0.23489 0.05616 0.08712 -0.03775 30 4YZ 0.18469 0.10313 -0.17791 -0.03004 -0.52115 31 3 C 1S 0.02346 0.02591 -0.04801 0.00133 0.04187 32 2S 0.03986 -0.03626 -0.01581 0.28968 -0.04347 33 2PX 0.04960 0.01443 -0.02155 0.00961 0.06553 34 2PY -0.11852 0.01562 -0.20955 0.01887 -0.08283 35 2PZ 0.11416 0.11237 0.02072 -0.06823 0.18466 36 3S -0.49005 -1.44584 0.82926 -0.89812 -0.80290 37 3PX -0.03147 0.28930 0.31661 -0.25686 0.07240 38 3PY 0.04175 0.42377 -0.69457 0.43105 -0.20215 39 3PZ 0.33171 0.32337 0.11544 0.22057 0.46018 40 4XX 0.20413 0.12016 -0.36899 -0.12555 0.22803 41 4YY -0.04523 -0.07531 0.65249 -0.02159 0.13047 42 4ZZ -0.11227 0.03902 -0.40757 0.03166 -0.29286 43 4XY -0.00312 -0.01512 -0.08522 -0.16061 0.07836 44 4XZ 0.00045 0.04236 -0.02762 0.13427 -0.16346 45 4YZ 0.20616 -0.04413 -0.11811 -0.32937 0.25640 46 4 C 1S 0.02343 -0.02592 0.04809 -0.00079 0.04179 47 2S 0.04006 0.03615 0.01572 -0.29034 -0.03985 48 2PX 0.04961 -0.01448 0.02171 -0.00876 0.06566 49 2PY 0.11859 0.01556 -0.20935 0.01988 0.08282 50 2PZ 0.11407 -0.11239 -0.02040 0.07064 0.18370 51 3S -0.48938 1.44622 -0.83087 0.88793 -0.81208 52 3PX -0.03172 -0.28939 -0.31643 0.25780 0.06937 53 3PY -0.04158 0.42391 -0.69426 0.43373 0.19750 54 3PZ 0.33184 -0.32356 -0.11462 -0.21477 0.46294 55 4XX 0.20378 -0.12024 0.36949 0.12848 0.22568 56 4YY -0.04486 0.07533 -0.65224 0.02340 0.13117 57 4ZZ -0.11243 -0.03897 0.40698 -0.03552 -0.29291 58 4XY 0.00312 -0.01520 -0.08529 -0.16165 -0.07612 59 4XZ 0.00014 -0.04225 0.02736 -0.13640 -0.16196 60 4YZ -0.20603 -0.04401 -0.11895 -0.33258 -0.25172 61 5 C 1S -0.05661 0.05185 0.01605 -0.00470 -0.00414 62 2S 0.00760 0.62636 0.01418 0.19376 -0.06967 63 2PX -0.18044 0.13253 0.07450 0.14248 0.18518 64 2PY 0.15224 0.03955 -0.04990 0.03484 -0.06839 65 2PZ -0.10567 0.11436 0.06755 0.12230 0.26044 66 3S 1.49195 -3.28264 -0.56685 -0.85162 -0.12152 67 3PX -0.28986 0.49601 0.24100 0.09871 0.61628 68 3PY 0.66625 -1.76877 -0.22706 -0.50867 -0.01689 69 3PZ -0.09890 0.14093 -0.18540 0.10899 0.86526 70 4XX 0.03682 0.08736 -0.19050 -0.30263 -0.21044 71 4YY -0.39023 -0.18184 -0.02175 -0.13922 -0.24476 72 4ZZ 0.29617 0.00323 0.14618 0.34430 0.39542 73 4XY -0.19817 0.21189 0.07165 0.09112 0.43568 74 4XZ 0.63493 -0.23517 -0.05573 -0.08747 -0.03639 75 4YZ -0.18474 0.10320 -0.17721 -0.02348 0.52158 76 6 C 1S 0.03648 -0.09126 0.00238 -0.05543 -0.02247 77 2S -0.07599 -0.29577 0.03107 -0.06218 0.08171 78 2PX -0.27689 0.11501 0.01125 0.02948 0.16185 79 2PY 0.27543 0.18508 -0.12222 0.22585 -0.03507 80 2PZ -0.20683 0.07069 0.02524 0.04594 0.16242 81 3S -0.95957 4.83485 -0.18210 2.09073 0.93631 82 3PX -0.41304 1.32220 0.09889 0.44929 0.33350 83 3PY 0.05303 1.45785 -0.45534 0.74291 -0.40989 84 3PZ -0.39057 1.40753 0.32143 0.36710 0.28417 85 4XX -0.07537 -0.19361 -0.09682 -0.37135 0.13332 86 4YY -0.08977 0.44849 -0.24087 0.44368 -0.21212 87 4ZZ 0.16405 -0.23929 0.26504 -0.09693 0.19729 88 4XY 0.31772 0.10292 -0.11045 0.11524 -0.10522 89 4XZ -0.24087 0.46380 0.11152 0.17693 0.39411 90 4YZ 0.24386 0.23603 -0.32458 -0.27957 -0.13551 91 7 H 1S -0.09968 0.20980 -0.07988 0.00758 -0.11819 92 2S -0.07879 -0.56179 0.02365 -0.12744 0.10504 93 8 H 1S 0.20368 -0.05724 -0.01444 -0.06835 0.12431 94 2S 0.03410 0.33772 0.13674 0.13010 -0.05919 95 9 H 1S -0.02373 0.01138 0.07775 0.16890 -0.03649 96 2S 0.04288 -0.05049 -0.15064 0.06212 -0.04652 97 10 H 1S -0.02349 -0.01148 -0.07784 -0.16942 -0.03414 98 2S 0.04280 0.05061 0.15060 -0.06273 -0.04599 99 11 H 1S 0.20370 0.05722 0.01481 0.07002 0.12342 100 2S 0.03397 -0.33782 -0.13682 -0.13091 -0.05749 101 12 H 1S -0.09987 -0.20979 0.07964 -0.00913 -0.11827 102 2S -0.07841 0.56189 -0.02350 0.12885 0.10361 103 13 C 1S -0.00064 0.03922 0.02974 -0.03024 0.00203 104 2S -0.05820 0.17748 0.08307 -0.10931 0.00342 105 2PX 0.10512 0.08481 0.01836 -0.00639 -0.00620 106 2PY 0.02331 0.24125 0.18959 -0.23523 0.00180 107 2PZ 0.02051 0.06666 0.03229 -0.03765 -0.02214 108 3S 0.22439 -1.67178 -1.23715 1.21629 -0.08521 109 3PX 0.08606 -0.03269 -0.12159 -0.01686 -0.00552 110 3PY 0.04077 0.89146 0.76113 -0.74916 -0.04797 111 3PZ 0.09785 -0.46079 -0.27546 0.09559 0.01908 112 4XX 0.01273 0.21782 0.22586 -0.23842 -0.00900 113 4YY -0.00197 -0.43718 -0.37430 0.48172 0.00397 114 4ZZ 0.05119 0.17941 0.11283 -0.16617 -0.00799 115 4XY -0.01044 0.10107 0.03284 0.02033 -0.03022 116 4XZ 0.14141 0.13129 -0.01450 0.02465 0.00811 117 4YZ -0.00167 0.05098 0.13357 -0.15494 -0.02579 118 14 O 1S 0.01854 0.02775 0.01418 -0.01325 0.00104 119 2S 0.21363 0.11721 0.06543 -0.19045 0.10181 120 2PX 0.00910 0.04493 0.02453 -0.00813 -0.01141 121 2PY -0.01352 0.02125 0.01435 -0.01865 -0.00583 122 2PZ -0.00169 0.01135 0.01157 -0.01806 0.00438 123 3S -0.78560 -0.39741 -0.19382 0.50929 -0.27858 124 3PX 0.09439 -0.18578 -0.13887 0.10502 -0.02488 125 3PY 0.29194 0.22024 0.11385 -0.21770 0.15154 126 3PZ 0.03315 -0.07103 -0.08070 0.13525 -0.08557 127 4XX 0.04061 0.11734 0.07686 -0.05937 0.04853 128 4YY -0.06712 -0.13526 -0.09236 0.16034 -0.10039 129 4ZZ 0.11394 0.10230 0.04312 -0.08538 0.04359 130 4XY -0.05760 0.05749 0.08111 -0.10448 0.03486 131 4XZ -0.08967 -0.21057 -0.10423 0.09143 0.02003 132 4YZ 0.01685 0.08575 0.06952 -0.09986 0.04061 133 15 C 1S -0.01678 0.00001 -0.00001 -0.00007 -0.01206 134 2S 0.00898 -0.00007 -0.00003 -0.00020 -0.01435 135 2PX -0.06134 0.00006 -0.00004 -0.00018 -0.03734 136 2PY 0.00000 0.25154 0.17476 -0.26571 0.00149 137 2PZ -0.08976 0.00011 -0.00005 -0.00039 -0.06564 138 3S 0.59975 -0.00043 0.00050 0.00247 0.41519 139 3PX -0.27701 0.00021 -0.00028 -0.00149 -0.24205 140 3PY -0.00002 0.35150 0.23152 -0.32585 0.00183 141 3PZ -0.12401 0.00014 -0.00003 -0.00029 -0.04760 142 4XX 0.00332 0.00001 -0.00003 -0.00016 -0.02296 143 4YY -0.01662 0.00009 0.00007 0.00004 0.00874 144 4ZZ 0.00412 -0.00008 -0.00002 0.00031 0.03942 145 4XY 0.00000 -0.26241 -0.17506 0.26195 -0.00148 146 4XZ 0.14432 -0.00015 0.00008 0.00056 0.09201 147 4YZ 0.00003 -0.26603 -0.18251 0.26982 -0.00152 148 16 C 1S -0.00063 -0.03921 -0.02974 0.03028 0.00167 149 2S -0.05834 -0.17736 -0.08306 0.10956 0.00199 150 2PX 0.10504 -0.08491 -0.01828 0.00627 -0.00620 151 2PY -0.02340 0.24135 0.18957 -0.23517 0.00088 152 2PZ 0.02046 -0.06662 -0.03224 0.03733 -0.02255 153 3S 0.22454 1.67146 1.23726 -1.21760 -0.07027 154 3PX 0.08618 0.03251 0.12163 0.01665 -0.00566 155 3PY -0.04071 0.89117 0.76103 -0.74864 0.05682 156 3PZ 0.09818 0.46066 0.27571 -0.09584 0.02040 157 4XX 0.01287 -0.21785 -0.22585 0.23829 -0.01160 158 4YY -0.00213 0.43716 0.37424 -0.48160 0.00945 159 4ZZ 0.05124 -0.17943 -0.11279 0.16595 -0.00995 160 4XY 0.01039 0.10109 0.03288 0.02068 0.02985 161 4XZ 0.14137 -0.13145 0.01461 -0.02465 0.00846 162 4YZ 0.00161 0.05114 0.13373 -0.15475 0.02758 163 17 H 1S -0.00072 -0.00001 0.00003 0.00016 0.02312 164 2S 0.02564 -0.00002 0.00004 0.00028 0.04223 165 18 H 1S -0.03132 0.00004 -0.00005 -0.00037 -0.05777 166 2S -0.06397 0.00001 -0.00006 -0.00021 -0.03434 167 19 O 1S 0.01855 -0.02778 -0.01417 0.01326 0.00091 168 2S 0.21359 -0.11759 -0.06514 0.19148 0.09968 169 2PX 0.00914 -0.04495 -0.02455 0.00798 -0.01146 170 2PY 0.01350 0.02120 0.01435 -0.01861 0.00606 171 2PZ -0.00168 -0.01136 -0.01156 0.01810 0.00416 172 3S -0.78577 0.39871 0.19288 -0.51203 -0.27325 173 3PX 0.09433 0.18563 0.13893 -0.10545 -0.02365 174 3PY -0.29196 0.22080 0.11348 -0.21924 -0.14921 175 3PZ 0.03305 0.07107 0.08065 -0.13637 -0.08393 176 4XX 0.04066 -0.11744 -0.07679 0.05996 0.04795 177 4YY -0.06713 0.13542 0.09221 -0.16141 -0.09851 178 4ZZ 0.11395 -0.10248 -0.04301 0.08575 0.04261 179 4XY 0.05756 0.05736 0.08106 -0.10494 -0.03366 180 4XZ -0.08962 0.21067 0.10417 -0.09118 0.02091 181 4YZ -0.01691 0.08583 0.06949 -0.10040 -0.03951 182 20 H 1S -0.06362 -0.07363 -0.10681 -0.08937 -0.03519 183 2S -0.05830 -0.03250 -0.01698 0.15799 -0.03253 184 21 H 1S -0.06353 0.07369 0.10672 0.08893 -0.03639 185 2S -0.05817 0.03257 0.01691 -0.15830 -0.03038 186 22 H 1S -0.05743 -0.00431 0.07115 -0.11220 -0.00875 187 2S 0.02610 -0.19615 -0.19766 0.15512 0.06614 188 23 H 1S -0.05733 0.00430 -0.07121 0.11209 -0.01005 189 2S 0.02618 0.19600 0.19775 -0.15443 0.06793 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 -0.03644 0.00324 -0.00785 -0.00508 0.00694 2 2S -0.29402 0.05995 -0.04154 0.01530 0.13544 3 2PX 0.12051 -0.00293 0.03307 0.00523 -0.01192 4 2PY 0.19049 -0.00779 0.00860 -0.03251 -0.04015 5 2PZ 0.08428 -0.01761 0.01754 -0.00478 -0.02912 6 3S 3.14569 -0.20856 1.03566 0.26961 -0.42643 7 3PX 1.22990 -0.08285 0.40718 0.03828 -0.19535 8 3PY -0.53659 -0.05161 -0.22303 -0.14428 -0.04288 9 3PZ 1.31399 -0.02276 0.38913 0.03338 -0.09444 10 4XX 0.22848 -0.02244 -0.00536 -0.01803 -0.04926 11 4YY -0.29254 0.00203 0.00567 0.04840 -0.01563 12 4ZZ 0.05814 -0.00928 0.01547 -0.05295 0.00268 13 4XY 0.06431 -0.00880 -0.03097 -0.01532 -0.02447 14 4XZ 0.34523 -0.03742 0.02882 -0.03096 -0.06109 15 4YZ -0.20047 -0.00518 0.01934 -0.04910 -0.01939 16 2 C 1S 0.07982 -0.00424 0.01701 0.00219 -0.01092 17 2S 0.83721 -0.03467 0.48239 0.16648 -0.07338 18 2PX 0.12909 -0.01677 0.04248 -0.00101 -0.02463 19 2PY 0.01610 -0.00265 -0.08054 -0.02809 -0.00836 20 2PZ -0.01712 -0.01863 0.09845 -0.04599 -0.02221 21 3S -4.27748 0.16212 -1.05834 -0.35936 0.44498 22 3PX 0.17265 -0.02300 0.05197 -0.08360 -0.04701 23 3PY 1.92027 -0.03095 0.68746 0.18300 -0.15626 24 3PZ -0.39676 -0.11325 0.18556 -0.05299 -0.17437 25 4XX 0.23976 0.02706 -0.18562 0.01998 0.03294 26 4YY -0.16956 0.01129 -0.00201 -0.02502 0.00305 27 4ZZ -0.29000 -0.03067 0.05341 -0.06296 -0.02618 28 4XY -0.19879 0.03011 0.03039 0.01937 0.04583 29 4XZ -0.28933 0.00069 0.04612 -0.01699 0.03653 30 4YZ 0.07345 0.02825 -0.12961 0.04422 0.04023 31 3 C 1S -0.03529 -0.00444 0.01175 -0.00772 -0.00607 32 2S -0.21546 -0.04659 0.27630 -0.03907 0.02168 33 2PX -0.06097 -0.00917 0.05048 -0.01277 0.01710 34 2PY 0.12105 0.01042 -0.04002 0.01735 -0.00858 35 2PZ -0.20582 -0.00093 -0.06668 -0.02578 -0.00322 36 3S 2.28318 0.12410 -0.19892 0.33569 0.04019 37 3PX -0.34295 0.03077 -0.49661 0.02458 -0.05191 38 3PY 0.21078 0.01825 -0.04638 -0.02016 0.04520 39 3PZ -0.97259 -0.04558 0.40360 -0.15962 0.01748 40 4XX -0.01229 -0.00319 -0.06134 -0.01236 -0.01494 41 4YY -0.35540 -0.00818 0.13330 -0.04037 -0.02519 42 4ZZ 0.36182 0.01972 -0.14066 0.04830 0.00306 43 4XY -0.04691 -0.00772 0.04526 -0.00380 -0.02317 44 4XZ 0.17533 -0.00251 -0.08612 0.02021 -0.01353 45 4YZ -0.15774 -0.01570 0.03244 -0.01508 -0.01006 46 4 C 1S 0.03531 -0.00445 -0.01175 0.00772 -0.00607 47 2S 0.21550 -0.04669 -0.27633 0.03907 0.02177 48 2PX 0.06104 -0.00919 -0.05046 0.01277 0.01709 49 2PY 0.12107 -0.01047 -0.04004 0.01734 0.00855 50 2PZ 0.20594 -0.00097 0.06671 0.02579 -0.00323 51 3S -2.28376 0.12485 0.19892 -0.33576 0.03983 52 3PX 0.34318 0.03078 0.49663 -0.02454 -0.05188 53 3PY 0.21062 -0.01823 -0.04623 -0.02017 -0.04539 54 3PZ 0.97291 -0.04596 -0.40375 0.15964 0.01756 55 4XX 0.01235 -0.00314 0.06141 0.01236 -0.01492 56 4YY 0.35552 -0.00832 -0.13331 0.04039 -0.02529 57 4ZZ -0.36198 0.01983 0.14061 -0.04831 0.00311 58 4XY -0.04694 0.00769 0.04528 -0.00380 0.02318 59 4XZ -0.17554 -0.00244 0.08609 -0.02023 -0.01350 60 4YZ -0.15769 0.01568 0.03240 -0.01508 0.01006 61 5 C 1S -0.07983 -0.00421 -0.01699 -0.00219 -0.01092 62 2S -0.83721 -0.03441 -0.48242 -0.16645 -0.07346 63 2PX -0.12906 -0.01673 -0.04252 0.00101 -0.02467 64 2PY 0.01614 0.00267 -0.08054 -0.02810 0.00838 65 2PZ 0.01720 -0.01862 -0.09844 0.04598 -0.02223 66 3S 4.27783 0.16079 1.05811 0.35926 0.44526 67 3PX -0.17201 -0.02297 -0.05188 0.08365 -0.04704 68 3PY 1.92048 0.03033 0.68746 0.18294 0.15639 69 3PZ 0.39750 -0.11334 -0.18530 0.05311 -0.17441 70 4XX -0.23994 0.02705 0.18553 -0.01998 0.03294 71 4YY 0.16948 0.01125 0.00211 0.02500 0.00311 72 4ZZ 0.29022 -0.03070 -0.05339 0.06298 -0.02619 73 4XY -0.19858 -0.03005 0.03039 0.01939 -0.04589 74 4XZ 0.28956 0.00058 -0.04618 0.01703 0.03653 75 4YZ 0.07353 -0.02830 -0.12956 0.04422 -0.04029 76 6 C 1S 0.03643 0.00322 0.00785 0.00507 0.00694 77 2S 0.29415 0.05988 0.04157 -0.01533 0.13544 78 2PX -0.12047 -0.00290 -0.03305 -0.00523 -0.01194 79 2PY 0.19062 0.00781 0.00859 -0.03251 0.04022 80 2PZ -0.08421 -0.01759 -0.01750 0.00478 -0.02913 81 3S -3.14555 -0.20732 -1.03552 -0.26949 -0.42644 82 3PX -1.23005 -0.08245 -0.40718 -0.03826 -0.19546 83 3PY -0.53638 0.05195 -0.22294 -0.14428 0.04309 84 3PZ -1.31415 -0.02234 -0.38915 -0.03340 -0.09450 85 4XX -0.22845 -0.02248 0.00534 0.01804 -0.04932 86 4YY 0.29243 0.00205 -0.00566 -0.04839 -0.01554 87 4ZZ -0.05808 -0.00929 -0.01546 0.05293 0.00266 88 4XY 0.06453 0.00881 -0.03098 -0.01534 0.02451 89 4XZ -0.34518 -0.03732 -0.02879 0.03095 -0.06114 90 4YZ -0.20031 0.00521 0.01932 -0.04912 0.01943 91 7 H 1S -0.12370 0.02204 0.01168 -0.00245 0.02007 92 2S 0.42545 -0.00046 0.13492 0.01617 -0.02758 93 8 H 1S 0.11628 -0.02565 -0.04147 0.01883 -0.02166 94 2S -0.44609 0.01675 -0.11996 -0.05357 0.03661 95 9 H 1S -0.09128 0.00560 0.11180 -0.02476 0.02015 96 2S -0.08267 -0.05641 0.10170 -0.00537 0.00228 97 10 H 1S 0.09128 0.00551 -0.11178 0.02476 0.02015 98 2S 0.08267 -0.05643 -0.10174 0.00537 0.00225 99 11 H 1S -0.11620 -0.02561 0.04146 -0.01883 -0.02169 100 2S 0.44612 0.01659 0.11997 0.05355 0.03662 101 12 H 1S 0.12361 0.02201 -0.01168 0.00244 0.02007 102 2S -0.42550 -0.00032 -0.13493 -0.01617 -0.02759 103 13 C 1S -0.02040 0.02612 -0.10187 0.01586 0.02803 104 2S -0.15125 -0.09140 -0.64210 -0.06174 -0.18665 105 2PX 0.04671 -0.25701 0.27624 0.09549 -0.32196 106 2PY 0.13907 -0.17845 -0.23355 0.28264 -0.08259 107 2PZ 0.05912 -0.16152 0.03071 0.07278 -0.22877 108 3S 1.07826 -0.60972 5.68268 -0.43021 -0.97033 109 3PX 0.11835 -0.18939 0.75605 0.02195 -0.37012 110 3PY -0.02888 -0.16182 -2.30609 0.29554 -0.32749 111 3PZ 0.50491 -0.19718 1.89520 0.01343 -0.33078 112 4XX 0.21065 -0.03748 -0.18623 0.23081 -0.22103 113 4YY -0.32781 -0.04491 0.47825 -0.55692 0.21551 114 4ZZ 0.03554 0.09110 -0.11941 0.30808 -0.07962 115 4XY 0.04316 -0.25623 0.00795 -0.44737 -0.13248 116 4XZ 0.00895 -0.18775 0.42148 0.10649 -0.37874 117 4YZ 0.05470 -0.18866 -0.38943 -0.50484 -0.10503 118 14 O 1S 0.02197 -0.04852 0.03128 -0.03037 0.00136 119 2S 0.42704 -0.32933 0.85421 -0.04172 0.00697 120 2PX -0.00656 0.00129 -0.05072 -0.02991 0.04382 121 2PY 0.00614 -0.07698 -0.04191 -0.02985 -0.05008 122 2PZ 0.01054 0.00312 -0.01564 -0.02246 0.03256 123 3S -1.35552 1.35350 -2.86371 0.44209 -0.02052 124 3PX 0.11318 -0.25811 0.65495 0.18029 -1.07635 125 3PY 0.45660 -0.17199 0.96878 -0.06270 0.44112 126 3PZ -0.05629 -0.12547 0.17171 0.15498 -0.86898 127 4XX 0.07413 0.23276 -0.02378 0.04079 0.31487 128 4YY -0.17121 -0.51149 -0.23124 -0.15072 -0.30422 129 4ZZ 0.09898 0.06923 0.25485 -0.07253 0.05398 130 4XY 0.11083 -0.11505 -0.06521 -0.43313 0.64982 131 4XZ -0.16064 0.60831 -0.24012 0.17633 0.18679 132 4YZ 0.13750 -0.14057 0.12997 -0.28913 0.54301 133 15 C 1S 0.00000 0.02773 0.00000 0.00001 -0.07867 134 2S 0.00008 -0.01875 0.00001 -0.00004 0.25245 135 2PX -0.00004 0.05927 0.00000 0.00005 -0.29565 136 2PY 0.39081 -0.00003 0.51833 -0.34022 -0.00004 137 2PZ 0.00001 0.07562 0.00006 0.00002 -0.32734 138 3S 0.00006 -0.75686 -0.00003 -0.00040 2.15268 139 3PX 0.00000 0.00932 0.00001 0.00007 -0.37837 140 3PY 0.38418 -0.00001 0.28912 -0.32209 -0.00005 141 3PZ 0.00003 -0.03200 0.00001 0.00002 -0.35550 142 4XX 0.00003 0.39412 0.00000 0.00008 -0.35333 143 4YY -0.00002 -0.74233 0.00006 -0.00019 0.56669 144 4ZZ -0.00003 0.40250 -0.00005 0.00011 -0.24786 145 4XY -0.35230 0.00001 -0.39847 0.12341 0.00002 146 4XZ 0.00000 0.14357 -0.00004 -0.00001 0.16513 147 4YZ -0.31671 -0.00014 -0.32483 0.27978 0.00018 148 16 C 1S 0.02040 0.02611 0.10187 -0.01587 0.02803 149 2S 0.15102 -0.09143 0.64210 0.06177 -0.18667 150 2PX -0.04673 -0.25700 -0.27623 -0.09537 -0.32203 151 2PY 0.13904 0.17847 -0.23352 0.28263 0.08276 152 2PZ -0.05914 -0.16146 -0.03075 -0.07264 -0.22880 153 3S -1.07812 -0.60944 -5.68250 0.43058 -0.97005 154 3PX -0.11829 -0.18940 -0.75616 -0.02182 -0.37011 155 3PY -0.02857 0.16186 -2.30579 0.29545 0.32776 156 3PZ -0.50468 -0.19701 -1.89573 -0.01321 -0.33061 157 4XX -0.21065 -0.03747 0.18627 -0.23072 -0.22113 158 4YY 0.32783 -0.04504 -0.47812 0.55704 0.21570 159 4ZZ -0.03546 0.09118 0.11925 -0.30822 -0.07969 160 4XY 0.04321 0.25632 0.00803 -0.44738 0.13241 161 4XZ -0.00890 -0.18771 -0.42151 -0.10647 -0.37877 162 4YZ 0.05483 0.18864 -0.38960 -0.50465 0.10491 163 17 H 1S -0.00002 -0.07778 0.00000 -0.00001 0.00248 164 2S 0.00000 0.16849 0.00000 0.00003 -0.15177 165 18 H 1S 0.00000 -0.09324 0.00000 0.00001 -0.05902 166 2S -0.00002 0.22036 0.00003 0.00003 -0.15264 167 19 O 1S -0.02198 -0.04852 -0.03128 0.03037 0.00137 168 2S -0.42694 -0.32923 -0.85420 0.04173 0.00699 169 2PX 0.00657 0.00127 0.05071 0.02990 0.04384 170 2PY 0.00618 0.07699 -0.04191 -0.02986 0.05006 171 2PZ -0.01053 0.00314 0.01562 0.02244 0.03258 172 3S 1.35524 1.35329 2.86366 -0.44207 -0.02074 173 3PX -0.11317 -0.25805 -0.65493 -0.17989 -1.07645 174 3PY 0.45636 0.17195 0.96882 -0.06253 -0.44099 175 3PZ 0.05636 -0.12544 -0.17145 -0.15467 -0.86917 176 4XX -0.07406 0.23275 0.02379 -0.04089 0.31489 177 4YY 0.17096 -0.51159 0.23120 0.15089 -0.30398 178 4ZZ -0.09882 0.06929 -0.25480 0.07241 0.05381 179 4XY 0.11083 0.11492 -0.06527 -0.43283 -0.65005 180 4XZ 0.16075 0.60834 0.24009 -0.17646 0.18661 181 4YZ 0.13757 0.14041 0.13011 -0.28889 -0.54324 182 20 H 1S 0.08219 -0.00730 0.06372 0.00166 -0.02115 183 2S 0.07222 0.01783 0.22402 -0.01485 -0.02809 184 21 H 1S -0.08222 -0.00730 -0.06371 -0.00165 -0.02117 185 2S -0.07224 0.01780 -0.22398 0.01486 -0.02810 186 22 H 1S 0.04898 -0.02767 -0.25011 -0.27605 0.05031 187 2S -0.04061 0.05111 0.71652 0.10444 0.01789 188 23 H 1S -0.04898 -0.02768 0.25012 0.27604 0.05042 189 2S 0.04075 0.05111 -0.71661 -0.10442 0.01790 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 -0.00099 -0.00436 0.05714 -0.03378 -0.00899 2 2S 0.02734 -0.22677 -0.08203 0.31078 0.39610 3 2PX 0.17683 -0.01768 -0.08611 -0.02376 -0.02796 4 2PY 0.40578 -0.01750 0.07884 -0.03270 0.02157 5 2PZ 0.16370 0.00507 -0.04916 -0.03625 -0.03556 6 3S -0.11106 1.02796 -2.10614 -0.18975 -1.45264 7 3PX 0.68070 0.37071 -0.61984 -0.12030 -0.55507 8 3PY 1.46883 -0.34321 0.58840 -0.03484 0.60851 9 3PZ 0.46020 0.21236 -0.71481 -0.05099 -0.45544 10 4XX 0.35300 0.04134 0.14027 -0.18801 -0.15029 11 4YY -0.64474 0.00440 -0.38772 -0.14223 -0.22147 12 4ZZ 0.26146 0.05612 0.35619 -0.15352 -0.10044 13 4XY 0.27732 -0.13537 -0.55070 -0.01524 -0.01981 14 4XZ 0.38726 0.03620 -0.02807 -0.03910 -0.07222 15 4YZ 0.31012 -0.08216 -0.45048 -0.01223 -0.04286 16 2 C 1S 0.00270 0.00737 -0.05161 0.01871 0.02604 17 2S -0.22329 0.37735 -0.09999 -0.25460 -0.58012 18 2PX 0.21135 0.01236 -0.17930 -0.02142 -0.05977 19 2PY 0.14415 -0.05425 -0.05555 0.00597 0.00029 20 2PZ 0.24010 0.02623 -0.11043 -0.02750 -0.03780 21 3S -0.36146 -0.85276 1.91474 0.29249 1.23148 22 3PX 0.85910 -0.08784 -0.11739 -0.05166 0.08993 23 3PY -0.03552 0.47503 -0.86081 -0.18178 -0.81125 24 3PZ 1.12976 -0.03574 0.21900 -0.07161 0.20522 25 4XX -0.15731 -0.07175 0.09824 0.13836 0.26038 26 4YY -0.04288 -0.11043 -0.46045 0.10318 0.20052 27 4ZZ 0.17121 0.02611 0.34369 0.09645 0.23186 28 4XY -0.39085 0.01009 -0.01696 0.03131 0.01395 29 4XZ -0.17260 0.07736 0.44746 0.01484 0.08643 30 4YZ -0.46130 0.01150 0.00050 0.04410 -0.00811 31 3 C 1S 0.00107 0.00689 0.03691 0.06652 0.01606 32 2S -0.06634 0.19563 -0.02990 -0.46088 0.06904 33 2PX 0.03444 0.02767 0.02568 -0.01904 0.03805 34 2PY -0.12632 0.00899 -0.05812 0.02753 -0.01920 35 2PZ 0.12789 -0.05874 0.14380 0.00922 0.03085 36 3S -0.24496 -0.11454 -1.19789 -0.20587 -0.86952 37 3PX 0.09389 -0.34142 0.16166 0.12594 0.03443 38 3PY -0.72622 0.15674 0.02063 -0.03476 0.17301 39 3PZ 0.55361 0.09804 0.32375 0.00220 0.47735 40 4XX -0.01175 -0.01193 0.20102 0.28881 0.05184 41 4YY 0.36521 -0.06424 0.00084 0.24083 0.00080 42 4ZZ -0.34535 -0.00600 -0.07845 0.24867 -0.04264 43 4XY 0.04029 0.02393 0.06245 -0.00048 -0.00707 44 4XZ -0.11564 -0.00297 0.01339 -0.02081 -0.06515 45 4YZ 0.10590 0.03775 0.31211 0.00149 0.01850 46 4 C 1S -0.00107 -0.00688 -0.03692 0.06653 -0.01624 47 2S 0.06639 -0.19565 0.02991 -0.46107 -0.06789 48 2PX -0.03447 -0.02766 -0.02573 -0.01904 -0.03806 49 2PY -0.12627 0.00897 -0.05810 -0.02752 -0.01919 50 2PZ -0.12792 0.05877 -0.14383 0.00922 -0.03088 51 3S 0.24498 0.11450 1.19804 -0.20572 0.87008 52 3PX -0.09392 0.34142 -0.16176 0.12605 -0.03457 53 3PY -0.72614 0.15683 0.02067 0.03496 0.17310 54 3PZ -0.55371 -0.09811 -0.32377 0.00229 -0.47725 55 4XX 0.01180 0.01196 -0.20103 0.28891 -0.05256 56 4YY -0.36527 0.06423 -0.00098 0.24093 -0.00144 57 4ZZ 0.34533 0.00600 0.07857 0.24871 0.04191 58 4XY 0.04033 0.02393 0.06248 0.00049 -0.00707 59 4XZ 0.11575 0.00295 -0.01325 -0.02082 0.06519 60 4YZ 0.10569 0.03778 0.31210 -0.00152 0.01854 61 5 C 1S -0.00270 -0.00736 0.05162 0.01872 -0.02620 62 2S 0.22326 -0.37737 0.10002 -0.25469 0.58107 63 2PX -0.21131 -0.01240 0.17930 -0.02143 0.05976 64 2PY 0.14423 -0.05425 -0.05562 -0.00595 0.00031 65 2PZ -0.24006 -0.02623 0.11043 -0.02751 0.03781 66 3S 0.36153 0.85253 -1.91494 0.29234 -1.23081 67 3PX -0.85926 0.08797 0.11716 -0.05148 -0.09024 68 3PY -0.03513 0.47492 -0.86086 0.18168 -0.81121 69 3PZ -1.12968 0.03595 -0.21920 -0.07134 -0.20555 70 4XX 0.15717 0.07170 -0.09827 0.13840 -0.26091 71 4YY 0.04317 0.11047 0.46046 0.10326 -0.20115 72 4ZZ -0.17136 -0.02604 -0.34366 0.09649 -0.23238 73 4XY -0.39095 0.01015 -0.01675 -0.03131 0.01394 74 4XZ 0.17238 -0.07736 -0.44757 0.01483 -0.08638 75 4YZ -0.46125 0.01157 0.00077 -0.04408 -0.00808 76 6 C 1S 0.00100 0.00436 -0.05714 -0.03379 0.00883 77 2S -0.02739 0.22681 0.08203 0.31078 -0.39485 78 2PX -0.17675 0.01770 0.08614 -0.02375 0.02797 79 2PY 0.40582 -0.01750 0.07878 0.03270 0.02159 80 2PZ -0.16363 -0.00505 0.04918 -0.03624 0.03557 81 3S 0.11103 -1.02777 2.10619 -0.18953 1.45259 82 3PX -0.68039 -0.37073 0.62000 -0.12017 0.55506 83 3PY 1.46909 -0.34318 0.58820 0.03476 0.60843 84 3PZ -0.45995 -0.21240 0.71495 -0.05087 0.45544 85 4XX -0.35289 -0.04140 -0.14046 -0.18800 0.14960 86 4YY 0.64458 -0.00436 0.38803 -0.14226 0.22086 87 4ZZ -0.26138 -0.05615 -0.35632 -0.15352 0.09975 88 4XY 0.27758 -0.13536 -0.55061 0.01525 -0.01981 89 4XZ -0.38714 -0.03622 0.02792 -0.03909 0.07219 90 4YZ 0.31035 -0.08215 -0.45036 0.01224 -0.04286 91 7 H 1S -0.00030 -0.07456 -0.29569 0.03219 -0.00480 92 2S -0.02803 0.12662 -0.07929 -0.03815 -0.21921 93 8 H 1S 0.03106 0.04416 0.20523 -0.01767 -0.00161 94 2S 0.00283 -0.14008 0.04756 0.08717 0.23773 95 9 H 1S 0.01114 0.03981 -0.04583 -0.01860 0.10078 96 2S -0.00862 0.10172 0.09747 -0.03425 -0.14555 97 10 H 1S -0.01115 -0.03980 0.04579 -0.01863 -0.10072 98 2S 0.00856 -0.10171 -0.09746 -0.03437 0.14548 99 11 H 1S -0.03106 -0.04417 -0.20522 -0.01769 0.00168 100 2S -0.00284 0.14006 -0.04757 0.08714 -0.23790 101 12 H 1S 0.00031 0.07454 0.29570 0.03218 0.00490 102 2S 0.02805 -0.12663 0.07931 -0.03813 0.21907 103 13 C 1S 0.01522 -0.05496 0.02322 -0.01586 -0.08305 104 2S 0.20098 -0.14361 0.05603 0.24705 0.77122 105 2PX -0.01436 0.40499 -0.06182 -0.05283 -0.15500 106 2PY 0.06655 0.23584 -0.03996 -0.04195 0.10378 107 2PZ 0.03115 0.19928 -0.03809 -0.00441 -0.06219 108 3S -1.13264 2.85780 -1.07672 -0.87254 -2.53942 109 3PX -0.19103 1.00640 -0.26739 -0.33944 -1.11913 110 3PY 0.48988 -0.28857 0.34399 -0.07260 0.49217 111 3PZ -0.48585 1.49297 -0.47250 -0.33684 -1.34344 112 4XX 0.03893 0.30788 -0.04769 -0.04391 -0.40628 113 4YY -0.12588 -0.24511 0.04002 -0.07696 -0.50536 114 4ZZ 0.00489 -0.00955 0.03492 -0.05311 -0.37588 115 4XY -0.02560 0.44138 -0.06495 0.08594 0.01246 116 4XZ -0.03142 0.47084 -0.07873 -0.05434 -0.12131 117 4YZ -0.01452 0.33445 -0.07147 0.06454 0.03969 118 14 O 1S -0.00778 -0.00147 0.00816 -0.38216 -0.40012 119 2S -0.14684 0.41006 -0.13669 -0.38927 -0.57633 120 2PX -0.00763 0.00747 0.00147 0.05582 0.07599 121 2PY 0.00949 0.02955 -0.00258 0.13498 0.17068 122 2PZ -0.00771 0.00940 -0.00617 0.02058 0.00398 123 3S 0.59132 -1.45544 0.40972 4.65279 5.24350 124 3PX -0.06248 1.36957 -0.28295 -0.18040 -0.81942 125 3PY -0.20480 -0.03409 -0.06796 -0.95518 -0.82564 126 3PZ 0.02834 0.98154 -0.16664 -0.01590 -0.39217 127 4XX 0.00144 -0.50053 0.12350 -1.23295 -1.20365 128 4YY 0.04094 0.38777 -0.02783 -1.13370 -1.25971 129 4ZZ -0.04668 -0.13369 0.04523 -1.29774 -1.35599 130 4XY -0.04408 -0.42482 0.07225 -0.03977 0.14552 131 4XZ 0.02096 -0.40048 0.06597 0.08291 0.23288 132 4YZ -0.07279 -0.38077 0.05789 -0.08588 0.07049 133 15 C 1S 0.00000 0.00000 0.00000 -0.11845 0.00003 134 2S -0.00004 0.00000 -0.00001 0.95152 -0.00006 135 2PX 0.00003 0.00001 0.00000 0.13753 0.00002 136 2PY -0.14722 -0.36051 0.02391 0.00000 -0.06093 137 2PZ 0.00001 -0.00003 0.00000 0.11879 0.00002 138 3S -0.00015 -0.00008 0.00001 -2.06039 -0.00074 139 3PX -0.00004 0.00003 -0.00002 0.55604 0.00019 140 3PY -0.11068 -0.80259 0.11819 -0.00003 -0.41054 141 3PZ 0.00002 -0.00009 0.00000 0.60168 0.00012 142 4XX 0.00002 0.00000 0.00000 -0.55714 0.00007 143 4YY -0.00005 -0.00009 0.00001 -0.37552 0.00013 144 4ZZ 0.00003 0.00007 -0.00001 -0.55297 0.00004 145 4XY 0.09551 0.36565 -0.03349 0.00001 -0.04178 146 4XZ 0.00001 0.00004 0.00000 -0.05093 -0.00004 147 4YZ 0.09449 0.34657 -0.03852 0.00004 -0.11136 148 16 C 1S -0.01523 0.05495 -0.02322 -0.01588 0.08281 149 2S -0.20088 0.14357 -0.05599 0.24721 -0.76954 150 2PX 0.01444 -0.40497 0.06183 -0.05286 0.15492 151 2PY 0.06655 0.23588 -0.03995 0.04192 0.10389 152 2PZ -0.03107 -0.19921 0.03809 -0.00440 0.06218 153 3S 1.13287 -2.85756 1.07676 -0.87301 2.53954 154 3PX 0.19110 -1.00640 0.26737 -0.33973 1.11904 155 3PY 0.48963 -0.28832 0.34380 0.07253 0.49187 156 3PZ 0.48597 -1.49298 0.47253 -0.33711 1.34330 157 4XX -0.03890 -0.30786 0.04769 -0.04398 0.40527 158 4YY 0.12584 0.24497 -0.04001 -0.07708 0.50446 159 4ZZ -0.00489 0.00968 -0.03496 -0.05322 0.37491 160 4XY -0.02564 0.44149 -0.06496 -0.08593 0.01244 161 4XZ 0.03151 -0.47072 0.07872 -0.05439 0.12126 162 4YZ -0.01451 0.33450 -0.07147 -0.06455 0.03972 163 17 H 1S 0.00001 0.00000 0.00000 0.22760 0.00003 164 2S 0.00003 -0.00001 0.00001 0.00610 0.00004 165 18 H 1S -0.00001 0.00001 0.00000 0.22973 0.00004 166 2S 0.00003 0.00001 0.00001 -0.03669 0.00005 167 19 O 1S 0.00778 0.00147 -0.00816 -0.38225 0.39997 168 2S 0.14691 -0.41004 0.13670 -0.38938 0.57610 169 2PX 0.00760 -0.00747 -0.00147 0.05584 -0.07602 170 2PY 0.00947 0.02955 -0.00259 -0.13502 0.17063 171 2PZ 0.00772 -0.00940 0.00617 0.02055 -0.00397 172 3S -0.59142 1.45536 -0.40971 4.65391 -5.24151 173 3PX 0.06274 -1.36949 0.28296 -0.18057 0.81929 174 3PY -0.20471 -0.03387 -0.06798 0.95536 -0.82522 175 3PZ -0.02824 -0.98145 0.16664 -0.01575 0.39193 176 4XX -0.00154 0.50053 -0.12352 -1.23323 1.20328 177 4YY -0.04086 -0.38760 0.02781 -1.13402 1.25926 178 4ZZ 0.04661 0.13355 -0.04522 -1.29802 1.35556 179 4XY -0.04397 -0.42487 0.07226 0.03972 0.14550 180 4XZ -0.02102 0.40037 -0.06596 0.08296 -0.23271 181 4YZ -0.07273 -0.38087 0.05790 0.08591 0.07044 182 20 H 1S -0.00178 0.03760 -0.01599 -0.02333 0.01837 183 2S -0.00280 0.13850 -0.07824 0.11745 0.06007 184 21 H 1S 0.00178 -0.03759 0.01600 -0.02332 -0.01829 185 2S 0.00278 -0.13848 0.07821 0.11744 -0.06029 186 22 H 1S -0.01793 0.14802 -0.05659 0.08758 0.07026 187 2S -0.14518 0.20834 -0.09795 -0.04059 -0.40012 188 23 H 1S 0.01791 -0.14803 0.05658 0.08759 -0.07012 189 2S 0.14514 -0.20838 0.09790 -0.04070 0.39987 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 -0.19906 0.26088 -0.08455 -0.04512 -0.23417 2 2S 1.35994 -1.42297 0.52543 0.30825 1.44081 3 2PX -0.01079 0.10548 -0.01641 0.01678 -0.05130 4 2PY -0.05858 0.05466 -0.03046 0.00771 0.17045 5 2PZ 0.00894 0.06997 0.00807 0.04124 -0.01009 6 3S 0.35721 -1.12967 0.30780 -0.08153 0.43267 7 3PX -0.04270 -0.24737 0.00222 -0.07916 -0.22255 8 3PY 0.02041 -0.03259 0.08961 -0.01331 -0.12378 9 3PZ -0.06973 -0.16170 -0.04671 -0.08630 -0.35814 10 4XX -0.78713 1.01430 -0.31960 -0.14953 -0.89814 11 4YY -0.73390 0.88716 -0.30670 -0.16209 -1.13821 12 4ZZ -0.78822 1.02338 -0.33920 -0.17202 -0.89990 13 4XY -0.00314 0.02560 -0.00045 0.02796 -0.02962 14 4XZ -0.01733 0.02813 -0.01101 0.00844 -0.00806 15 4YZ 0.00188 0.03112 0.00868 0.04187 0.00222 16 2 C 1S -0.10992 -0.06753 -0.02795 -0.12688 -0.19393 17 2S 0.69646 0.34318 0.06207 0.55785 0.67768 18 2PX -0.05138 0.09099 -0.03156 -0.00713 -0.09424 19 2PY -0.04692 0.05453 -0.00658 0.02414 0.04398 20 2PZ -0.00558 0.10239 -0.00153 0.01742 -0.02710 21 3S 0.23693 0.50314 0.05703 0.67862 1.49686 22 3PX -0.03905 -0.16179 0.10921 0.07511 -0.08008 23 3PY -0.00448 -0.15503 -0.10798 -0.10160 -0.70498 24 3PZ -0.03962 -0.19927 0.06670 -0.13909 0.01763 25 4XX -0.38384 -0.31966 -0.04956 -0.40149 -0.61340 26 4YY -0.43512 -0.27964 -0.10315 -0.49431 -0.60555 27 4ZZ -0.33235 -0.22114 -0.01345 -0.40595 -0.54966 28 4XY 0.03496 -0.07465 -0.01680 -0.03148 0.05349 29 4XZ 0.07323 -0.04744 0.02946 -0.03632 0.13771 30 4YZ -0.00687 -0.09564 -0.01766 -0.00658 0.01177 31 3 C 1S -0.14562 -0.21558 -0.11472 -0.13161 -0.11929 32 2S 0.90775 1.08855 0.64734 0.60451 0.82067 33 2PX -0.00342 0.01852 -0.01040 -0.04724 -0.01360 34 2PY -0.02242 -0.00013 -0.01533 0.01486 0.03981 35 2PZ -0.01944 0.03380 0.03516 0.03758 0.02212 36 3S 0.48785 0.94716 0.35310 0.53386 -0.07815 37 3PX 0.01738 -0.02345 0.07094 0.18546 0.21867 38 3PY 0.06759 0.06729 0.01878 0.02661 0.13382 39 3PZ 0.08564 -0.04611 0.02142 -0.07474 0.30245 40 4XX -0.57847 -0.82333 -0.44155 -0.48382 -0.48392 41 4YY -0.50048 -0.70373 -0.39419 -0.42597 -0.56279 42 4ZZ -0.56877 -0.80155 -0.46373 -0.45520 -0.46961 43 4XY -0.00709 0.00233 0.00011 0.00632 -0.01884 44 4XZ 0.00280 0.01462 -0.01215 0.01365 0.02761 45 4YZ -0.01477 -0.01444 -0.00121 -0.04837 -0.03775 46 4 C 1S -0.14560 -0.21556 -0.11470 -0.13177 0.11897 47 2S 0.90785 1.08852 0.64710 0.60563 -0.81915 48 2PX -0.00338 0.01852 -0.01041 -0.04729 0.01352 49 2PY 0.02245 0.00014 0.01533 -0.01494 0.03979 50 2PZ -0.01940 0.03380 0.03516 0.03762 -0.02202 51 3S 0.48681 0.94682 0.35321 0.53352 0.07958 52 3PX 0.01735 -0.02328 0.07108 0.18603 -0.21843 53 3PY -0.06779 -0.06739 -0.01883 -0.02679 0.13382 54 3PZ 0.08623 -0.04596 0.02123 -0.07440 -0.30259 55 4XX -0.57841 -0.82324 -0.44145 -0.48448 0.48271 56 4YY -0.50050 -0.70365 -0.39408 -0.42677 0.56176 57 4ZZ -0.56882 -0.80154 -0.46359 -0.45582 0.46844 58 4XY 0.00710 -0.00234 -0.00012 -0.00628 -0.01889 59 4XZ 0.00274 0.01460 -0.01212 0.01375 -0.02759 60 4YZ 0.01476 0.01446 0.00124 0.04846 -0.03765 61 5 C 1S -0.10990 -0.06746 -0.02800 -0.12730 0.19374 62 2S 0.69585 0.34276 0.06238 0.55943 -0.67697 63 2PX -0.05144 0.09098 -0.03157 -0.00736 0.09421 64 2PY 0.04693 -0.05455 0.00657 -0.02422 0.04395 65 2PZ -0.00562 0.10237 -0.00154 0.01733 0.02714 66 3S 0.23841 0.50311 0.05709 0.68142 -1.49594 67 3PX -0.03886 -0.16177 0.10911 0.07491 0.08011 68 3PY 0.00544 0.15518 0.10791 0.10285 -0.70485 69 3PZ -0.03935 -0.19911 0.06658 -0.13903 -0.01811 70 4XX -0.38357 -0.31935 -0.04973 -0.40281 0.61289 71 4YY -0.43491 -0.27943 -0.10335 -0.49565 0.60478 72 4ZZ -0.33212 -0.22083 -0.01365 -0.40719 0.54916 73 4XY -0.03499 0.07468 0.01678 0.03135 0.05356 74 4XZ 0.07336 -0.04738 0.02947 -0.03602 -0.13775 75 4YZ 0.00684 0.09565 0.01759 0.00650 0.01181 76 6 C 1S -0.19909 0.26091 -0.08460 -0.04567 0.23400 77 2S 1.36053 -1.42312 0.52573 0.31163 -1.43972 78 2PX -0.01081 0.10546 -0.01640 0.01666 0.05132 79 2PY 0.05854 -0.05466 0.03042 -0.00812 0.17046 80 2PZ 0.00892 0.06995 0.00808 0.04121 0.01016 81 3S 0.35554 -1.12998 0.30806 -0.07997 -0.43248 82 3PX -0.04337 -0.24743 0.00219 -0.07948 0.22244 83 3PY -0.02118 0.03250 -0.08942 0.01379 -0.12386 84 3PZ -0.07029 -0.16176 -0.04675 -0.08693 0.35799 85 4XX -0.78737 1.01440 -0.31979 -0.15166 0.89749 86 4YY -0.73427 0.88728 -0.30692 -0.16475 1.13759 87 4ZZ -0.78839 1.02349 -0.33938 -0.17416 0.89921 88 4XY 0.00318 -0.02562 0.00046 -0.02790 -0.02961 89 4XZ -0.01742 0.02809 -0.01100 0.00841 0.00805 90 4YZ -0.00182 -0.03113 -0.00867 -0.04187 0.00219 91 7 H 1S 0.08720 -0.09943 0.02930 0.04022 0.06163 92 2S -0.18562 0.14601 -0.12017 -0.09019 -0.28259 93 8 H 1S 0.06190 0.03236 0.03185 0.04759 0.07627 94 2S -0.09590 -0.01857 0.01566 -0.11210 0.06919 95 9 H 1S 0.06187 0.06902 0.03399 0.02825 0.03718 96 2S -0.18191 -0.21807 -0.14852 -0.26734 -0.21432 97 10 H 1S 0.06201 0.06903 0.03395 0.02827 -0.03713 98 2S -0.18208 -0.21820 -0.14856 -0.26772 0.21380 99 11 H 1S 0.06190 0.03234 0.03188 0.04775 -0.07618 100 2S -0.09563 -0.01850 0.01561 -0.11205 -0.06938 101 12 H 1S 0.08719 -0.09945 0.02932 0.04037 -0.06151 102 2S -0.18593 0.14599 -0.12019 -0.09077 0.28235 103 13 C 1S -0.19122 -0.07298 0.14514 0.25586 -0.11766 104 2S 1.22956 0.54258 -0.63411 -1.31029 0.92622 105 2PX -0.05205 -0.01532 0.00531 0.01102 -0.03722 106 2PY -0.06980 -0.06633 -0.00609 0.03761 0.08658 107 2PZ -0.03582 -0.00412 0.04880 0.08646 -0.03180 108 3S 0.46881 -0.12338 -0.41164 -1.23957 0.31494 109 3PX 0.05255 -0.27395 0.01892 0.01978 0.32902 110 3PY 0.03746 0.04788 0.18474 -0.09217 0.03817 111 3PZ -0.00144 -0.29370 -0.16513 -0.24570 -0.02372 112 4XX -0.77638 -0.32345 0.50705 0.99762 -0.55846 113 4YY -0.69117 -0.27498 0.44726 0.87338 -0.63957 114 4ZZ -0.76218 -0.32070 0.52721 0.98261 -0.51846 115 4XY -0.01170 -0.00349 0.02672 0.04988 -0.03215 116 4XZ -0.01760 -0.06139 -0.00856 0.06510 -0.00585 117 4YZ 0.00491 -0.02029 -0.00694 -0.00403 0.00788 118 14 O 1S -0.01873 -0.09689 0.06217 -0.11355 0.05516 119 2S -0.04165 -0.20527 -0.03589 -0.09099 0.03454 120 2PX -0.03451 -0.00227 0.04231 0.04607 -0.02265 121 2PY 0.00352 0.02739 -0.05074 0.07976 -0.03094 122 2PZ -0.03322 -0.00118 0.03427 0.01606 -0.02038 123 3S 0.27395 1.47766 -0.67543 1.52615 -0.68394 124 3PX -0.02065 -0.14828 0.04665 -0.11360 -0.04069 125 3PY -0.10367 -0.36483 -0.07362 -0.10075 0.06042 126 3PZ 0.01882 -0.05678 0.08285 0.00380 0.00988 127 4XX -0.00346 -0.26599 0.16928 -0.44056 0.23211 128 4YY -0.07037 -0.25314 0.41481 -0.46476 0.18829 129 4ZZ -0.03438 -0.31311 0.17567 -0.43550 0.19874 130 4XY 0.04934 0.01878 -0.14322 0.02003 0.03238 131 4XZ 0.06869 0.07566 0.01341 -0.13462 0.04357 132 4YZ 0.02814 -0.01154 -0.14874 0.02486 0.02479 133 15 C 1S 0.06725 -0.05277 -0.40593 0.21152 0.00022 134 2S -0.25834 0.37088 2.24823 -1.34952 -0.00140 135 2PX 0.00836 0.05115 0.11162 -0.04492 -0.00005 136 2PY 0.00004 0.00000 -0.00002 0.00001 -0.00150 137 2PZ 0.00504 0.06353 0.10705 -0.04133 -0.00004 138 3S -0.67829 -0.51203 2.05280 -1.32863 -0.00136 139 3PX 0.13191 0.20291 -0.09313 -0.02950 -0.00002 140 3PY 0.00021 0.00001 -0.00001 -0.00013 0.14476 141 3PZ 0.09209 0.13859 -0.02571 -0.04791 -0.00006 142 4XX 0.21285 -0.22447 -1.53743 0.88458 0.00092 143 4YY 0.23199 -0.21314 -1.73833 0.98680 0.00101 144 4ZZ 0.22390 -0.24382 -1.56218 0.85064 0.00088 145 4XY 0.00003 0.00001 0.00001 -0.00002 0.00710 146 4XZ -0.03895 -0.03610 -0.03270 0.07872 0.00008 147 4YZ 0.00006 0.00002 -0.00002 0.00001 0.00643 148 16 C 1S -0.19134 -0.07301 0.14514 0.25563 0.11822 149 2S 1.23058 0.54279 -0.63415 -1.30850 -0.92909 150 2PX -0.05225 -0.01536 0.00532 0.01095 0.03726 151 2PY 0.06967 0.06630 0.00609 -0.03780 0.08651 152 2PZ -0.03588 -0.00412 0.04881 0.08640 0.03202 153 3S 0.46592 -0.12383 -0.41158 -1.23896 -0.31744 154 3PX 0.05131 -0.27430 0.01902 0.02046 -0.32892 155 3PY -0.03798 -0.04789 -0.18473 0.09209 0.03823 156 3PZ -0.00302 -0.29400 -0.16509 -0.24568 0.02321 157 4XX -0.77692 -0.32358 0.50708 0.99656 0.56063 158 4YY -0.69184 -0.27514 0.44729 0.87215 0.64146 159 4ZZ -0.76269 -0.32082 0.52724 0.98161 0.52061 160 4XY 0.01169 0.00351 -0.02672 -0.04982 -0.03224 161 4XZ -0.01774 -0.06143 -0.00855 0.06508 0.00598 162 4YZ -0.00494 0.02031 0.00692 0.00398 0.00792 163 17 H 1S 0.00423 0.05873 0.08712 -0.02326 -0.00003 164 2S 0.07079 -0.04076 -0.42369 0.27734 0.00028 165 18 H 1S 0.00038 0.06944 0.08061 -0.02107 -0.00002 166 2S 0.13000 0.03737 -0.44944 0.33235 0.00035 167 19 O 1S -0.01918 -0.09698 0.06219 -0.11344 -0.05537 168 2S -0.04234 -0.20542 -0.03586 -0.09092 -0.03469 169 2PX -0.03442 -0.00225 0.04231 0.04603 0.02274 170 2PY -0.00370 -0.02743 0.05073 -0.07971 -0.03111 171 2PZ -0.03322 -0.00119 0.03427 0.01600 0.02040 172 3S 0.28000 1.47889 -0.67569 1.52480 0.68677 173 3PX -0.02164 -0.14850 0.04670 -0.11367 0.04051 174 3PY 0.10462 0.36503 0.07356 0.10064 0.06063 175 3PZ 0.01839 -0.05680 0.08290 0.00387 -0.00981 176 4XX -0.00483 -0.26626 0.16932 -0.44012 -0.23296 177 4YY -0.07180 -0.25343 0.41480 -0.46439 -0.18916 178 4ZZ -0.03594 -0.31341 0.17578 -0.43513 -0.19955 179 4XY -0.04953 -0.01884 0.14323 -0.02006 0.03235 180 4XZ 0.06896 0.07571 0.01343 -0.13454 -0.04385 181 4YZ -0.02822 0.01153 0.14881 -0.02491 0.02475 182 20 H 1S 0.05446 0.05966 0.04198 0.05731 -0.08173 183 2S -0.17678 -0.22839 -0.07681 -0.01562 0.14854 184 21 H 1S 0.05451 0.05963 0.04197 0.05713 0.08186 185 2S -0.17669 -0.22842 -0.07688 -0.01548 -0.14866 186 22 H 1S 0.09940 0.01253 -0.08137 -0.07100 0.08950 187 2S -0.18667 -0.17305 0.01695 0.20818 -0.13697 188 23 H 1S 0.09950 0.01254 -0.08136 -0.07081 -0.08969 189 2S -0.18713 -0.17313 0.01695 0.20791 0.13737 186 187 188 189 V V V V Eigenvalues -- 4.44858 4.48935 4.64966 4.87452 1 1 C 1S 0.04269 -0.24219 -0.03737 0.11021 2 2S -0.21159 1.19031 0.30001 -0.33648 3 2PX 0.09755 -0.08946 -0.01816 0.05851 4 2PY 0.08024 0.11207 0.02021 0.02656 5 2PZ 0.08307 -0.06555 -0.01301 0.07665 6 3S -0.59459 2.23782 0.13890 -3.99622 7 3PX -0.15478 0.42209 -0.08788 -1.25052 8 3PY -0.05369 -0.47948 0.09228 0.81480 9 3PZ -0.11873 0.33629 -0.07152 -1.24673 10 4XX 0.21870 -0.88240 -0.17577 0.40020 11 4YY 0.18303 -1.09654 -0.25490 0.47301 12 4ZZ 0.22425 -0.90373 -0.16788 0.40653 13 4XY 0.10508 -0.05601 -0.05227 0.12983 14 4XZ 0.07640 -0.02443 -0.04123 0.07582 15 4YZ 0.07632 -0.05267 0.00125 0.11044 16 2 C 1S -0.31021 0.01778 0.06334 -0.39729 17 2S 1.68114 -0.20941 -0.63562 0.86927 18 2PX 0.01694 -0.06182 -0.02303 -0.03923 19 2PY 0.09742 -0.04329 -0.02359 0.23822 20 2PZ 0.00164 -0.06096 -0.02872 0.00259 21 3S 2.08473 -0.18196 -0.58319 5.57609 22 3PX 0.10561 0.23124 0.07556 0.02211 23 3PY -0.20669 0.16632 0.01745 -2.17161 24 3PZ 0.09642 0.15236 -0.18172 0.16649 25 4XX -1.20504 0.20788 0.35239 -1.24837 26 4YY -1.18913 0.11264 0.29741 -1.23878 27 4ZZ -1.30360 0.06130 0.44337 -1.26342 28 4XY -0.03522 0.04980 -0.04074 -0.05449 29 4XZ -0.10803 0.04980 0.03871 -0.08153 30 4YZ 0.01147 0.09008 -0.02059 -0.02979 31 3 C 1S 0.16802 0.21047 -0.29788 0.02103 32 2S -0.86775 -1.00737 1.24069 -0.07127 33 2PX -0.01012 -0.02444 -0.02140 -0.03681 34 2PY 0.02351 -0.03248 0.02922 0.01343 35 2PZ -0.07698 -0.03355 0.10518 0.09486 36 3S -1.27611 -1.69210 2.92584 -2.19377 37 3PX 0.00801 0.11101 0.25115 0.69988 38 3PY -0.12527 0.16539 -0.45993 0.12979 39 3PZ 0.23333 0.09175 -0.38998 0.65237 40 4XX 0.64217 0.75596 -1.00218 0.04238 41 4YY 0.57665 0.86651 -1.18723 0.08413 42 4ZZ 0.75199 0.74086 -1.07427 0.10625 43 4XY -0.02899 -0.02892 0.00100 -0.03453 44 4XZ 0.05155 -0.00090 -0.01518 0.05016 45 4YZ -0.09803 -0.01048 0.07549 -0.09364 46 4 C 1S 0.16796 -0.21062 0.29790 -0.02102 47 2S -0.86743 1.00812 -1.24071 0.07124 48 2PX -0.01012 0.02443 0.02139 0.03682 49 2PY -0.02349 -0.03248 0.02925 0.01345 50 2PZ -0.07698 0.03359 -0.10518 -0.09488 51 3S -1.27546 1.69324 -2.92599 2.19364 52 3PX 0.00798 -0.11092 -0.25117 -0.70018 53 3PY 0.12519 0.16529 -0.46005 0.12996 54 3PZ 0.23329 -0.09189 0.39000 -0.65218 55 4XX 0.64196 -0.75656 1.00222 -0.04234 56 4YY 0.57633 -0.86702 1.18726 -0.08405 57 4ZZ 0.75176 -0.74151 1.07434 -0.10622 58 4XY 0.02899 -0.02894 0.00100 -0.03455 59 4XZ 0.05160 0.00087 0.01519 -0.05014 60 4YZ 0.09797 -0.01056 0.07548 -0.09365 61 5 C 1S -0.31016 -0.01761 -0.06328 0.39729 62 2S 1.68112 0.20847 0.63533 -0.86942 63 2PX 0.01700 0.06180 0.02305 0.03931 64 2PY -0.09744 -0.04325 -0.02358 0.23824 65 2PZ 0.00166 0.06095 0.02870 -0.00256 66 3S 2.08441 0.18070 0.58305 -5.57575 67 3PX 0.10544 -0.23122 -0.07556 -0.02245 68 3PY 0.20670 0.16623 0.01752 -2.17167 69 3PZ 0.09640 -0.15249 0.18175 -0.16702 70 4XX -1.20500 -0.20717 -0.35218 1.24847 71 4YY -1.18902 -0.11206 -0.29716 1.23880 72 4ZZ -1.30349 -0.06053 -0.44316 1.26343 73 4XY 0.03526 0.04980 -0.04074 -0.05453 74 4XZ -0.10811 -0.04970 -0.03874 0.08149 75 4YZ -0.01137 0.09008 -0.02054 -0.02982 76 6 C 1S 0.04291 0.24212 0.03739 -0.11025 77 2S -0.21276 -1.18999 -0.30005 0.33664 78 2PX 0.09760 0.08941 0.01816 -0.05853 79 2PY -0.08014 0.11208 0.02022 0.02657 80 2PZ 0.08308 0.06551 0.01300 -0.07668 81 3S -0.59627 -2.23727 -0.13892 3.99626 82 3PX -0.15499 -0.42203 0.08787 1.25072 83 3PY 0.05334 -0.47934 0.09221 0.81448 84 3PZ -0.11886 -0.33623 0.07147 1.24696 85 4XX 0.21949 0.88209 0.17580 -0.40031 86 4YY 0.18413 1.09631 0.25495 -0.47322 87 4ZZ 0.22505 0.90342 0.16790 -0.40663 88 4XY -0.10515 -0.05591 -0.05225 0.12982 89 4XZ 0.07638 0.02437 0.04120 -0.07578 90 4YZ -0.07637 -0.05260 0.00127 0.11043 91 7 H 1S 0.00540 0.07287 0.00563 -0.04269 92 2S 0.02401 -0.06613 -0.11386 -0.30476 93 8 H 1S 0.05466 -0.03351 -0.00483 0.08319 94 2S -0.29992 -0.04589 0.07291 0.13425 95 9 H 1S -0.01869 -0.00392 -0.06363 0.04792 96 2S 0.21776 0.17492 -0.41157 -0.18187 97 10 H 1S -0.01871 0.00393 0.06364 -0.04796 98 2S 0.21773 -0.17522 0.41167 0.18205 99 11 H 1S 0.05468 0.03348 0.00481 -0.08322 100 2S -0.29985 0.04605 -0.07281 -0.13434 101 12 H 1S 0.00533 -0.07285 -0.00564 0.04273 102 2S 0.02413 0.06610 0.11383 0.30480 103 13 C 1S 0.00638 0.17840 0.24159 0.21141 104 2S 0.16501 -0.98182 -0.91668 -0.15206 105 2PX -0.00811 0.01936 -0.00520 -0.08698 106 2PY 0.00336 -0.09664 -0.10305 -0.04917 107 2PZ -0.01510 0.02680 0.11073 0.04976 108 3S -0.34604 -1.01646 -3.28307 -5.19255 109 3PX 0.09589 0.41257 -0.36037 -0.33781 110 3PY -0.12751 0.07951 1.05952 1.23621 111 3PZ -0.04656 0.34419 -0.93843 -1.67724 112 4XX -0.07551 0.72319 0.85726 0.48368 113 4YY -0.01712 0.85081 0.97504 0.67542 114 4ZZ -0.02142 0.68714 0.83956 0.56750 115 4XY 0.01693 0.02066 -0.00859 -0.00884 116 4XZ 0.01707 0.07022 -0.00944 -0.01513 117 4YZ -0.00892 0.04288 0.04808 0.04247 118 14 O 1S 0.02249 -0.02135 -0.07043 -0.15857 119 2S 0.01417 0.04377 -0.12982 -0.41045 120 2PX 0.00745 0.03177 0.02758 0.06403 121 2PY -0.01810 0.02829 0.03197 0.06995 122 2PZ 0.01785 0.00969 0.01486 0.00949 123 3S -0.30214 0.07701 1.41339 3.01499 124 3PX -0.05687 0.15150 -0.21133 -0.68387 125 3PY 0.08106 0.00396 -0.18121 -0.45753 126 3PZ -0.09210 0.14397 -0.03799 -0.20517 127 4XX 0.09223 -0.15376 -0.24671 -0.44276 128 4YY 0.09757 -0.07923 -0.24794 -0.51733 129 4ZZ 0.06841 -0.10337 -0.25730 -0.55335 130 4XY -0.02042 -0.06393 -0.02898 0.03263 131 4XZ 0.02567 -0.09107 -0.09142 0.00222 132 4YZ -0.01585 -0.05792 -0.02230 -0.00449 133 15 C 1S -0.08866 0.00003 0.00001 -0.00001 134 2S 0.39758 -0.00018 -0.00002 0.00001 135 2PX 0.04051 -0.00001 -0.00002 0.00001 136 2PY -0.00001 -0.01241 -0.02389 -0.07391 137 2PZ -0.00769 0.00000 -0.00001 0.00000 138 3S 0.79404 -0.00030 0.00007 0.00013 139 3PX -0.21555 0.00004 0.00001 -0.00006 140 3PY -0.00003 -0.15142 -0.07404 -0.10264 141 3PZ 0.06604 -0.00004 -0.00002 0.00000 142 4XX -0.33213 0.00013 0.00003 -0.00003 143 4YY -0.33353 0.00014 0.00003 -0.00004 144 4ZZ -0.31773 0.00012 0.00002 -0.00005 145 4XY 0.00000 0.01475 -0.01885 0.00689 146 4XZ 0.00226 0.00001 -0.00001 0.00001 147 4YZ 0.00000 -0.00054 -0.02228 -0.04361 148 16 C 1S 0.00626 -0.17829 -0.24163 -0.21136 149 2S 0.16556 0.98127 0.91679 0.15201 150 2PX -0.00816 -0.01937 0.00520 0.08700 151 2PY -0.00341 -0.09664 -0.10306 -0.04912 152 2PZ -0.01512 -0.02678 -0.11078 -0.04975 153 3S -0.34530 1.01608 3.28329 5.19210 154 3PX 0.09549 -0.41257 0.36043 0.33788 155 3PY 0.12763 0.07953 1.05942 1.23577 156 3PZ -0.04673 -0.34425 0.93883 1.67731 157 4XX -0.07595 -0.72275 -0.85740 -0.48357 158 4YY -0.01764 -0.85047 -0.97516 -0.67532 159 4ZZ -0.02183 -0.68671 -0.83967 -0.56734 160 4XY -0.01691 0.02066 -0.00859 -0.00885 161 4XZ 0.01701 -0.07020 0.00944 0.01515 162 4YZ 0.00894 0.04283 0.04804 0.04246 163 17 H 1S 0.02022 0.00000 -0.00001 0.00000 164 2S -0.02663 0.00003 -0.00001 0.00001 165 18 H 1S -0.02611 0.00001 -0.00001 -0.00001 166 2S -0.23889 0.00010 -0.00001 -0.00005 167 19 O 1S 0.02247 0.02131 0.07046 0.15858 168 2S 0.01409 -0.04382 0.12989 0.41044 169 2PX 0.00745 -0.03175 -0.02759 -0.06404 170 2PY 0.01810 0.02827 0.03199 0.06994 171 2PZ 0.01785 -0.00969 -0.01485 -0.00946 172 3S -0.30177 -0.07639 -1.41390 -3.01497 173 3PX -0.05702 -0.15152 0.21137 0.68386 174 3PY -0.08098 0.00407 -0.18133 -0.45750 175 3PZ -0.09225 -0.14389 0.03790 0.20502 176 4XX 0.09223 0.15358 0.24682 0.44277 177 4YY 0.09750 0.07910 0.24804 0.51740 178 4ZZ 0.06836 0.10318 0.25742 0.55335 179 4XY 0.02037 -0.06394 -0.02902 0.03263 180 4XZ 0.02576 0.09100 0.09143 -0.00221 181 4YZ 0.01581 -0.05792 -0.02231 -0.00449 182 20 H 1S -0.01389 -0.00434 -0.00314 -0.14580 183 2S 0.13785 -0.27350 0.14861 -0.16925 184 21 H 1S -0.01390 0.00438 0.00311 0.14581 185 2S 0.13799 0.27340 -0.14866 0.16919 186 22 H 1S 0.03107 0.03381 -0.07910 0.01535 187 2S 0.07592 0.31713 -0.14413 -0.19381 188 23 H 1S 0.03105 -0.03385 0.07913 -0.01538 189 2S 0.07574 -0.31708 0.14419 0.19382 Density Matrix: 1 2 3 4 5 1 1 C 1S 2.05271 2 2S -0.06213 0.32496 3 2PX 0.00133 0.00226 0.36897 4 2PY -0.00053 -0.00162 -0.00011 0.41335 5 2PZ -0.00083 0.00777 0.03332 0.00266 0.39023 6 3S -0.16067 0.24765 -0.01951 -0.01122 -0.02947 7 3PX 0.00664 -0.02275 0.18140 -0.01273 -0.07523 8 3PY -0.00378 0.01622 -0.01321 0.13842 0.02579 9 3PZ 0.00494 -0.01459 -0.05969 0.00573 0.16793 10 4XX -0.01431 -0.00947 0.00801 0.00593 -0.00344 11 4YY -0.01700 -0.00308 -0.00428 -0.01307 -0.00040 12 4ZZ -0.01611 -0.00535 -0.00689 0.01026 -0.00256 13 4XY 0.00088 -0.00123 0.00498 0.00024 0.01075 14 4XZ -0.00455 0.00944 -0.00068 0.00920 -0.00218 15 4YZ 0.00203 -0.00343 0.00949 -0.00196 0.01031 16 2 C 1S 0.01788 -0.03602 -0.05992 -0.03620 -0.04301 17 2S -0.03384 0.06176 0.12167 0.07533 0.08348 18 2PX 0.05515 -0.11750 0.00704 -0.13523 -0.24261 19 2PY 0.03904 -0.07543 -0.13784 -0.05069 -0.06401 20 2PZ 0.04364 -0.08981 -0.21177 -0.08009 -0.01514 21 3S -0.00917 0.03347 0.13112 0.04998 0.09079 22 3PX 0.01230 -0.03508 0.04973 -0.06231 -0.12909 23 3PY 0.00984 -0.02572 -0.05356 -0.00538 -0.02375 24 3PZ 0.00436 -0.01209 -0.09572 -0.03266 0.02876 25 4XX -0.00196 0.00317 -0.01089 0.00515 0.00700 26 4YY 0.00153 -0.00338 -0.00154 -0.01234 -0.00144 27 4ZZ 0.00017 -0.00118 0.00180 0.00099 -0.01328 28 4XY -0.00334 0.00665 0.00346 -0.00260 0.00806 29 4XZ -0.00415 0.00766 0.00321 0.00661 0.00046 30 4YZ -0.00299 0.00599 0.00806 -0.00167 0.00180 31 3 C 1S -0.00300 0.00562 0.00514 0.00155 0.01145 32 2S 0.00650 -0.01505 -0.01443 -0.00591 -0.02805 33 2PX -0.00839 0.02187 -0.00068 0.01087 0.03290 34 2PY 0.00131 -0.00319 -0.00229 0.00421 -0.00689 35 2PZ -0.01208 0.03132 0.04903 0.00702 0.02307 36 3S 0.00759 -0.01647 0.00175 0.01090 -0.07810 37 3PX -0.00454 0.00903 -0.00129 0.00744 0.01496 38 3PY 0.00411 -0.00873 -0.00735 0.00451 -0.02097 39 3PZ -0.00802 0.01863 0.04077 -0.00838 0.02259 40 4XX -0.00114 0.00235 -0.00086 0.00219 0.00526 41 4YY 0.00068 -0.00152 -0.00310 -0.00171 -0.00200 42 4ZZ -0.00030 0.00016 0.00630 0.00095 -0.00133 43 4XY -0.00024 0.00073 0.00134 -0.00013 -0.00012 44 4XZ -0.00130 0.00293 -0.00156 0.00304 0.00928 45 4YZ -0.00054 0.00141 0.00384 0.00173 0.00056 46 4 C 1S -0.00266 0.00503 0.00128 -0.00375 0.00577 47 2S 0.00479 -0.00883 0.00214 0.00681 -0.01508 48 2PX -0.00207 0.00444 -0.00674 -0.00763 0.00881 49 2PY 0.00390 -0.00856 -0.02849 -0.01160 -0.00380 50 2PZ -0.00786 0.01255 -0.01133 -0.02367 0.02037 51 3S 0.01324 -0.02298 -0.02357 0.03019 -0.00944 52 3PX -0.00106 0.00172 -0.00051 -0.00183 0.00167 53 3PY 0.00348 -0.00738 -0.02761 -0.00890 0.00192 54 3PZ -0.00485 0.00736 -0.00616 -0.02432 0.00454 55 4XX -0.00029 0.00034 -0.00037 0.00022 0.00077 56 4YY -0.00010 0.00024 0.00060 -0.00192 -0.00177 57 4ZZ 0.00024 -0.00041 0.00010 0.00197 0.00059 58 4XY -0.00007 0.00035 0.00023 0.00100 0.00059 59 4XZ 0.00019 -0.00044 0.00102 0.00088 -0.00064 60 4YZ -0.00020 0.00082 0.00128 0.00015 0.00008 61 5 C 1S -0.00340 0.00831 0.00083 -0.01224 0.00586 62 2S 0.00823 -0.01879 -0.00174 0.03290 -0.01500 63 2PX -0.00832 0.02655 -0.00638 -0.03169 0.02711 64 2PY 0.01167 -0.02675 -0.00246 0.03375 -0.00710 65 2PZ -0.00446 0.01368 0.02038 -0.01505 -0.00551 66 3S 0.00597 -0.02038 -0.03771 0.02417 -0.04544 67 3PX -0.00436 0.01394 -0.00491 -0.01850 0.03621 68 3PY 0.00283 -0.01068 -0.00154 -0.00563 -0.01117 69 3PZ -0.00411 0.00852 0.03957 -0.02546 -0.01415 70 4XX 0.00055 -0.00122 -0.00654 0.00245 0.00489 71 4YY -0.00184 0.00439 0.00163 -0.00978 0.00043 72 4ZZ 0.00071 -0.00116 0.00388 0.00242 -0.00350 73 4XY 0.00099 -0.00185 0.00106 0.00569 -0.00147 74 4XZ 0.00063 -0.00123 0.00247 0.00138 -0.00179 75 4YZ 0.00075 -0.00145 -0.00232 0.00452 0.00111 76 6 C 1S 0.01672 -0.03254 0.00480 0.07797 -0.00359 77 2S -0.03254 0.05577 -0.01029 -0.16058 0.00090 78 2PX 0.00478 -0.01026 0.11572 0.00847 -0.08833 79 2PY -0.07797 0.16058 -0.00853 -0.31237 0.00037 80 2PZ -0.00360 0.00093 -0.08834 -0.00042 0.08702 81 3S -0.00467 0.03450 -0.00798 -0.12660 0.05752 82 3PX 0.00094 0.00533 0.08530 0.01486 -0.03723 83 3PY -0.01400 0.04348 -0.01553 -0.09114 0.01190 84 3PZ -0.00371 0.00940 -0.04784 0.01854 0.07391 85 4XX 0.00249 -0.00552 0.00011 0.00873 -0.00017 86 4YY -0.00695 0.01218 0.00108 -0.00580 0.00050 87 4ZZ 0.00269 -0.00612 0.00091 0.00925 -0.00154 88 4XY 0.00016 0.00021 0.01297 -0.00146 -0.00018 89 4XZ 0.00058 -0.00150 0.00061 0.00312 0.00043 90 4YZ 0.00018 0.00010 0.00005 0.00021 0.01358 91 7 H 1S -0.06016 0.11224 -0.13264 0.13079 -0.18747 92 2S -0.01303 0.02496 -0.12150 0.11788 -0.18085 93 8 H 1S 0.01211 -0.02454 -0.02455 -0.03575 -0.01201 94 2S 0.01361 -0.02472 -0.04781 -0.07141 -0.01046 95 9 H 1S -0.00759 0.01927 0.00234 0.01532 0.03244 96 2S -0.01116 0.02904 -0.00204 0.02105 0.07097 97 10 H 1S -0.00059 0.00017 0.00194 -0.00229 -0.00061 98 2S -0.00092 -0.00024 0.00535 -0.00699 -0.00763 99 11 H 1S -0.00849 0.01865 0.00145 -0.03521 0.00130 100 2S -0.01195 0.02528 0.01054 -0.06878 0.00305 101 12 H 1S 0.01228 -0.02562 0.01876 0.04294 0.01319 102 2S 0.01464 -0.02568 0.03389 0.08633 0.03938 103 13 C 1S -0.00178 0.00269 0.00919 -0.00007 -0.00379 104 2S 0.00265 -0.00452 -0.02100 -0.00007 0.01060 105 2PX -0.00503 0.01912 0.03137 -0.00231 -0.00562 106 2PY 0.00170 -0.00504 -0.01828 0.00155 0.01159 107 2PZ 0.00224 -0.00609 -0.00583 0.00214 -0.00874 108 3S 0.00362 -0.01131 -0.05397 -0.00008 0.02765 109 3PX -0.00660 0.01009 0.00585 -0.00333 0.00106 110 3PY 0.00256 -0.00679 -0.01974 -0.00115 0.01112 111 3PZ 0.00154 -0.01149 -0.02472 0.00223 -0.00967 112 4XX -0.00079 0.00083 0.00598 -0.00039 -0.00412 113 4YY -0.00013 -0.00023 -0.00213 -0.00021 0.00109 114 4ZZ -0.00029 0.00012 -0.00135 -0.00021 0.00082 115 4XY -0.00016 0.00026 -0.00434 0.00101 0.00386 116 4XZ -0.00048 0.00093 -0.00196 0.00047 0.00187 117 4YZ -0.00029 0.00044 0.00517 -0.00091 -0.00430 118 14 O 1S 0.00025 -0.00140 -0.00322 -0.00047 0.00086 119 2S -0.00129 0.00318 0.00264 0.00153 0.00027 120 2PX 0.00317 -0.01246 -0.00852 -0.00185 -0.00690 121 2PY -0.00082 -0.00223 -0.00006 0.00070 0.00067 122 2PZ -0.00062 0.00105 0.00173 -0.00194 0.00447 123 3S 0.00114 0.00790 0.03874 0.00181 -0.01430 124 3PX 0.00189 -0.01051 -0.01370 -0.00021 -0.00372 125 3PY -0.00093 -0.00179 -0.00431 0.00012 0.00182 126 3PZ -0.00173 0.00209 -0.00205 -0.00177 0.00526 127 4XX -0.00008 -0.00055 -0.00230 0.00019 0.00099 128 4YY -0.00033 -0.00005 -0.00142 0.00003 0.00070 129 4ZZ -0.00035 0.00000 -0.00131 0.00040 0.00115 130 4XY -0.00003 0.00064 0.00059 0.00017 0.00032 131 4XZ 0.00017 0.00006 0.00018 0.00001 0.00009 132 4YZ 0.00007 0.00021 0.00132 -0.00016 -0.00089 133 15 C 1S -0.00034 0.00050 0.00186 0.00057 -0.00048 134 2S 0.00067 -0.00179 -0.00525 -0.00021 0.00168 135 2PX -0.00090 0.00227 0.00497 0.00063 -0.00143 136 2PY 0.00109 -0.00156 -0.00104 -0.00156 -0.00200 137 2PZ 0.00032 0.00003 0.00697 -0.00135 -0.00801 138 3S 0.00165 -0.00332 -0.01102 -0.00436 0.00234 139 3PX 0.00030 -0.00055 0.00236 0.00139 -0.00356 140 3PY 0.00028 -0.00057 -0.00142 -0.00024 0.00168 141 3PZ -0.00027 0.00123 0.01152 -0.00190 -0.00960 142 4XX -0.00023 0.00067 0.00161 0.00012 -0.00048 143 4YY 0.00009 -0.00031 -0.00023 -0.00001 0.00004 144 4ZZ 0.00007 -0.00029 -0.00126 0.00012 0.00031 145 4XY 0.00002 -0.00031 0.00120 -0.00028 -0.00135 146 4XZ -0.00003 0.00015 0.00061 -0.00025 -0.00047 147 4YZ -0.00011 0.00011 -0.00132 0.00029 0.00148 148 16 C 1S -0.00069 0.00137 0.01089 -0.00262 -0.00738 149 2S 0.00058 -0.00173 -0.02273 0.00401 0.01701 150 2PX -0.00297 0.00820 0.07781 -0.01577 -0.05630 151 2PY 0.00009 0.00136 0.01164 -0.00430 -0.01177 152 2PZ 0.00128 -0.00391 -0.05907 0.01022 0.04329 153 3S 0.00390 -0.00677 -0.05255 0.01290 0.03693 154 3PX -0.00129 0.00638 0.05986 -0.01205 -0.04005 155 3PY 0.00151 -0.00182 0.02888 -0.00199 -0.02421 156 3PZ 0.00188 -0.00093 -0.04678 0.01428 0.04464 157 4XX -0.00022 0.00029 0.00077 -0.00019 0.00000 158 4YY -0.00006 0.00020 -0.00040 -0.00036 0.00041 159 4ZZ -0.00029 0.00039 0.00168 -0.00028 -0.00081 160 4XY -0.00007 0.00073 0.00112 -0.00003 0.00003 161 4XZ -0.00015 0.00017 0.00113 -0.00034 -0.00070 162 4YZ 0.00021 -0.00063 -0.00166 0.00047 0.00061 163 17 H 1S -0.00094 0.00273 0.00763 -0.00022 -0.00253 164 2S -0.00200 0.00547 0.01683 -0.00112 -0.00554 165 18 H 1S 0.00063 -0.00138 -0.00488 0.00007 0.00086 166 2S 0.00066 -0.00226 -0.01326 0.00431 0.00874 167 19 O 1S 0.00003 0.00038 -0.00238 0.00041 0.00198 168 2S 0.00010 -0.00105 0.00425 -0.00032 -0.00298 169 2PX 0.00146 -0.00392 -0.04303 0.00710 0.03015 170 2PY -0.00082 -0.00067 -0.00104 -0.00082 0.00201 171 2PZ -0.00083 0.00297 0.03260 -0.00412 -0.02205 172 3S -0.00062 -0.00216 0.01710 -0.00387 -0.01805 173 3PX 0.00134 -0.00261 -0.03878 0.00824 0.03033 174 3PY -0.00076 -0.00013 -0.00032 -0.00031 0.00157 175 3PZ -0.00103 0.00346 0.03012 -0.00421 -0.01983 176 4XX 0.00009 -0.00010 -0.00275 0.00069 0.00236 177 4YY 0.00004 0.00005 -0.00045 0.00012 0.00073 178 4ZZ 0.00015 -0.00011 0.00128 0.00009 -0.00096 179 4XY 0.00003 -0.00009 -0.00141 0.00026 0.00123 180 4XZ 0.00002 -0.00004 0.00042 -0.00002 -0.00035 181 4YZ 0.00002 -0.00009 0.00003 0.00013 -0.00002 182 20 H 1S -0.00137 0.00184 -0.00285 0.00018 0.00657 183 2S -0.00228 0.00336 -0.01502 0.00379 0.01956 184 21 H 1S 0.00158 -0.00347 0.02933 -0.00310 -0.02866 185 2S 0.00142 -0.00405 0.02929 0.00013 -0.02536 186 22 H 1S 0.00083 -0.00296 -0.02683 0.00212 0.02059 187 2S 0.00005 -0.00132 -0.01968 0.00412 0.00495 188 23 H 1S 0.00040 -0.00107 0.00591 0.00079 -0.00432 189 2S 0.00059 -0.00059 0.02536 0.00061 -0.01693 6 7 8 9 10 6 3S 0.25010 7 3PX -0.00529 0.11999 8 3PY -0.00772 -0.02130 0.06237 9 3PZ -0.01273 -0.06578 0.01396 0.09330 10 4XX -0.00562 0.00526 -0.00006 -0.00248 0.00092 11 4YY -0.00311 -0.00157 -0.00297 0.00079 -0.00023 12 4ZZ -0.00246 -0.00263 0.00301 0.00047 0.00022 13 4XY -0.00261 -0.00016 -0.00037 0.00330 0.00019 14 4XZ 0.00814 -0.00040 0.00261 -0.00111 -0.00007 15 4YZ -0.00706 0.00159 0.00072 0.00212 -0.00003 16 2 C 1S 0.01167 -0.00739 -0.00604 0.00476 -0.00161 17 2S 0.01681 0.03363 0.00949 0.00613 0.00278 18 2PX -0.04583 0.07525 -0.09235 -0.09989 0.00836 19 2PY -0.10480 -0.06144 0.00969 -0.00561 -0.00424 20 2PZ -0.05017 -0.09000 -0.03204 0.03878 -0.00521 21 3S -0.02632 0.02878 0.00108 0.00197 0.00396 22 3PX 0.00784 0.06572 -0.05178 -0.06094 0.00568 23 3PY -0.01880 -0.01760 0.00218 0.00262 -0.00159 24 3PZ -0.00661 -0.05088 0.00023 0.03337 -0.00484 25 4XX 0.00431 -0.00751 0.00330 0.00592 -0.00025 26 4YY -0.00597 -0.00072 -0.00312 -0.00082 -0.00024 27 4ZZ 0.00227 0.00471 -0.00133 -0.00632 0.00025 28 4XY 0.00401 -0.00042 0.00006 0.00233 -0.00028 29 4XZ 0.00598 0.00115 0.00283 -0.00064 -0.00010 30 4YZ 0.00437 0.00323 0.00034 -0.00096 -0.00001 31 3 C 1S 0.00523 0.00086 0.00403 0.00806 -0.00046 32 2S -0.00899 0.00033 -0.00849 -0.01522 0.00036 33 2PX 0.02771 -0.00834 0.02935 0.02850 -0.00027 34 2PY 0.00917 0.00779 0.00646 -0.00236 0.00009 35 2PZ 0.00220 0.01028 0.03196 -0.00729 -0.00133 36 3S 0.01674 0.02532 -0.02144 -0.03851 0.00276 37 3PX 0.00631 -0.00640 0.01540 0.01190 -0.00006 38 3PY -0.01091 0.00284 0.00708 -0.00932 -0.00007 39 3PZ -0.00610 0.00785 0.01123 -0.00484 -0.00042 40 4XX 0.00156 -0.00185 0.00296 0.00260 -0.00019 41 4YY -0.00276 -0.00146 0.00003 -0.00033 -0.00015 42 4ZZ 0.00089 0.00367 -0.00188 -0.00192 0.00036 43 4XY 0.00124 0.00086 0.00104 0.00037 0.00004 44 4XZ 0.00203 -0.00284 0.00235 0.00494 -0.00027 45 4YZ -0.00073 0.00128 0.00183 -0.00127 0.00005 46 4 C 1S 0.01091 0.00010 -0.00349 0.00343 0.00000 47 2S -0.02105 0.00217 0.00598 -0.00989 0.00002 48 2PX 0.01314 -0.00580 -0.01727 0.00099 0.00032 49 2PY -0.01907 -0.01994 -0.00707 0.00331 -0.00082 50 2PZ 0.07871 0.00221 -0.02449 0.03397 -0.00066 51 3S -0.06109 -0.01894 0.02946 -0.00434 -0.00151 52 3PX 0.00822 -0.00075 -0.00912 -0.00001 0.00052 53 3PY -0.01691 -0.01748 -0.00054 0.00540 -0.00108 54 3PZ 0.04098 0.00210 -0.01699 0.01557 -0.00033 55 4XX 0.00343 0.00067 -0.00109 0.00115 0.00006 56 4YY 0.00111 0.00062 -0.00183 -0.00139 0.00004 57 4ZZ -0.00283 -0.00075 0.00254 0.00033 -0.00006 58 4XY 0.00078 0.00013 0.00123 0.00081 0.00002 59 4XZ -0.00001 0.00164 -0.00060 -0.00082 0.00009 60 4YZ -0.00127 -0.00001 0.00086 -0.00131 -0.00003 61 5 C 1S -0.00303 -0.00672 -0.00509 -0.00511 0.00018 62 2S -0.01977 0.00623 0.01885 -0.00130 -0.00040 63 2PX -0.05037 -0.04990 0.02126 -0.00967 -0.00314 64 2PY -0.09131 -0.00083 0.05080 0.00108 -0.00096 65 2PZ -0.01050 0.00962 -0.00765 -0.02947 0.00187 66 3S -0.00893 -0.00720 0.01227 -0.00386 0.00001 67 3PX -0.03723 -0.03354 0.01961 0.00655 -0.00305 68 3PY -0.02368 0.00135 0.00591 -0.00062 0.00037 69 3PZ 0.01303 0.03090 -0.01856 -0.02248 0.00163 70 4XX -0.00039 -0.00408 0.00039 0.00387 0.00008 71 4YY 0.00673 0.00057 -0.00498 -0.00061 -0.00015 72 4ZZ -0.00419 0.00209 0.00247 -0.00267 0.00001 73 4XY -0.00341 -0.00024 0.00201 -0.00151 0.00021 74 4XZ -0.00159 0.00231 0.00038 -0.00107 0.00001 75 4YZ -0.00237 -0.00190 0.00139 0.00022 0.00008 76 6 C 1S -0.00468 0.00094 0.01400 -0.00371 0.00249 77 2S 0.03451 0.00533 -0.04349 0.00939 -0.00552 78 2PX -0.00796 0.08530 0.01550 -0.04784 0.00010 79 2PY 0.12659 -0.01488 -0.09114 -0.01856 -0.00873 80 2PZ 0.05755 -0.03724 -0.01193 0.07391 -0.00017 81 3S -0.01750 -0.01591 -0.01404 0.02529 -0.00630 82 3PX -0.01591 0.04726 0.01987 -0.03342 -0.00086 83 3PY 0.01403 -0.01988 -0.01363 -0.00058 -0.00383 84 3PZ 0.02529 -0.03342 0.00058 0.04481 0.00015 85 4XX -0.00630 -0.00086 0.00383 0.00015 0.00022 86 4YY 0.01205 -0.00009 -0.00269 -0.00090 -0.00029 87 4ZZ -0.00574 0.00114 0.00259 -0.00105 0.00036 88 4XY -0.00225 0.00623 -0.00083 -0.00341 0.00031 89 4XZ -0.00359 0.00029 0.00186 0.00022 0.00000 90 4YZ -0.00428 -0.00435 0.00192 0.00545 -0.00020 91 7 H 1S 0.11509 -0.03241 0.03912 -0.05971 -0.00192 92 2S 0.05423 -0.01788 0.02559 -0.05144 0.00069 93 8 H 1S -0.06200 -0.01712 -0.00229 -0.00667 -0.00145 94 2S -0.05922 -0.02896 -0.00593 -0.00120 -0.00308 95 9 H 1S 0.01770 -0.00667 0.02873 0.01867 -0.00089 96 2S 0.02303 -0.01667 0.03781 0.03879 -0.00252 97 10 H 1S 0.01950 0.00705 -0.01408 0.00038 0.00055 98 2S 0.02803 0.01618 -0.02155 -0.00399 0.00080 99 11 H 1S 0.05609 0.00088 -0.03258 -0.00069 -0.00029 100 2S 0.06422 0.00664 -0.04800 -0.00210 -0.00007 101 12 H 1S -0.06039 -0.00249 0.01989 -0.00279 0.00081 102 2S -0.06761 -0.00572 0.03824 0.00226 0.00160 103 13 C 1S 0.00660 0.00950 0.00149 -0.00354 -0.00071 104 2S -0.01527 -0.02241 -0.00030 0.00661 0.00088 105 2PX -0.01132 0.02167 0.01371 -0.02091 -0.00527 106 2PY -0.00913 -0.01859 -0.00229 0.01558 0.00107 107 2PZ -0.00465 -0.01004 -0.00720 0.00056 0.00439 108 3S -0.00268 -0.04286 -0.01053 0.02490 0.00169 109 3PX -0.00189 0.00790 0.00921 -0.00564 -0.00394 110 3PY -0.00725 -0.01495 -0.00065 0.01187 0.00084 111 3PZ 0.00410 -0.01274 -0.00995 0.00643 0.00308 112 4XX -0.00147 0.00315 -0.00123 -0.00385 0.00026 113 4YY 0.00113 -0.00075 0.00027 0.00119 -0.00010 114 4ZZ 0.00123 -0.00017 0.00052 0.00131 -0.00016 115 4XY -0.00143 -0.00423 0.00158 0.00243 -0.00005 116 4XZ -0.00108 -0.00206 0.00124 0.00098 -0.00017 117 4YZ 0.00187 0.00492 -0.00049 -0.00297 0.00001 118 14 O 1S 0.00079 -0.00142 -0.00426 0.00192 0.00007 119 2S -0.00745 -0.00210 0.00989 -0.00330 -0.00017 120 2PX -0.01267 -0.00817 -0.01627 -0.00864 0.00236 121 2PY 0.03844 0.01578 0.00470 0.01122 -0.00047 122 2PZ 0.04573 0.02055 0.00925 0.01855 -0.00184 123 3S 0.00170 0.02453 0.01277 -0.01834 -0.00011 124 3PX -0.01068 -0.01123 -0.01247 -0.00388 0.00200 125 3PY 0.02535 0.00766 0.00281 0.00921 -0.00036 126 3PZ 0.03139 0.01284 0.00864 0.01390 -0.00202 127 4XX 0.00069 -0.00147 -0.00013 0.00156 0.00013 128 4YY -0.00216 -0.00173 -0.00044 0.00007 0.00000 129 4ZZ -0.00044 -0.00103 0.00032 0.00067 -0.00012 130 4XY -0.00004 0.00020 0.00066 0.00002 -0.00009 131 4XZ -0.00101 -0.00032 0.00012 -0.00034 -0.00002 132 4YZ -0.00164 0.00030 -0.00037 -0.00151 0.00002 133 15 C 1S 0.00279 0.00243 0.00033 -0.00011 -0.00014 134 2S -0.00557 -0.00496 -0.00172 0.00179 0.00027 135 2PX 0.01185 0.00676 0.00379 -0.00028 -0.00038 136 2PY -0.00972 -0.00404 -0.00215 -0.00346 0.00024 137 2PZ -0.00518 0.00459 -0.00088 -0.00843 -0.00017 138 3S -0.00762 -0.00954 -0.00351 0.00352 0.00052 139 3PX 0.00088 0.00233 0.00135 -0.00239 0.00000 140 3PY 0.00171 -0.00068 -0.00043 0.00243 -0.00004 141 3PZ 0.00308 0.01175 -0.00035 -0.00791 -0.00058 142 4XX 0.00206 0.00194 0.00033 -0.00015 -0.00011 143 4YY 0.00078 0.00019 0.00022 0.00015 0.00000 144 4ZZ -0.00281 -0.00202 -0.00042 -0.00013 0.00010 145 4XY 0.00118 0.00160 -0.00109 -0.00084 0.00006 146 4XZ -0.00047 0.00030 -0.00028 -0.00039 -0.00001 147 4YZ 0.00189 -0.00040 0.00074 0.00206 -0.00009 148 16 C 1S 0.00207 0.00807 -0.00240 -0.00513 -0.00017 149 2S 0.00404 -0.01433 0.00315 0.01321 0.00011 150 2PX 0.03492 0.07600 -0.02115 -0.03845 -0.00104 151 2PY 0.00094 0.01106 0.00159 -0.01329 -0.00105 152 2PZ -0.02184 -0.05769 0.01045 0.03310 0.00011 153 3S -0.01673 -0.04058 0.01633 0.02603 0.00024 154 3PX 0.01874 0.05288 -0.01493 -0.03147 0.00003 155 3PY -0.00029 0.02556 0.00054 -0.01795 -0.00019 156 3PZ -0.02371 -0.04985 0.01447 0.02776 -0.00002 157 4XX -0.00099 -0.00035 0.00038 0.00045 -0.00005 158 4YY -0.00034 -0.00066 -0.00015 -0.00027 0.00002 159 4ZZ 0.00145 0.00194 -0.00056 -0.00077 -0.00002 160 4XY -0.00062 0.00072 0.00100 -0.00074 -0.00027 161 4XZ 0.00230 0.00173 -0.00120 0.00001 0.00005 162 4YZ -0.00015 -0.00124 -0.00023 0.00098 0.00026 163 17 H 1S 0.01090 0.00930 0.00200 -0.00084 -0.00050 164 2S 0.01797 0.01861 0.00257 -0.00354 -0.00101 165 18 H 1S -0.01207 -0.00795 -0.00186 -0.00143 0.00039 166 2S -0.01738 -0.01862 -0.00056 0.00370 0.00096 167 19 O 1S -0.00543 -0.00314 0.00232 0.00044 0.00000 168 2S 0.01365 0.00674 -0.00621 0.00084 0.00009 169 2PX -0.02272 -0.04386 0.01549 0.02318 0.00031 170 2PY 0.01674 0.00766 -0.00397 0.01235 -0.00001 171 2PZ 0.01046 0.03159 -0.00332 -0.02613 -0.00068 172 3S 0.01897 0.01954 -0.00641 -0.00831 -0.00044 173 3PX -0.01853 -0.03921 0.01308 0.02231 0.00021 174 3PY 0.01304 0.00582 -0.00226 0.00876 -0.00012 175 3PZ 0.01212 0.02959 -0.00470 -0.02175 -0.00053 176 4XX -0.00048 -0.00241 0.00063 0.00160 0.00002 177 4YY 0.00033 -0.00017 -0.00018 0.00088 0.00002 178 4ZZ -0.00011 0.00105 -0.00029 -0.00081 0.00007 179 4XY -0.00099 -0.00170 0.00061 0.00083 0.00003 180 4XZ 0.00059 0.00058 -0.00016 -0.00001 0.00001 181 4YZ -0.00005 0.00005 -0.00005 -0.00032 0.00003 182 20 H 1S 0.02056 0.00050 0.00488 0.01533 -0.00054 183 2S 0.01847 -0.01192 0.00768 0.02316 -0.00055 184 21 H 1S -0.01230 0.01935 -0.00436 -0.03019 0.00081 185 2S -0.01121 0.01788 -0.00456 -0.02564 0.00164 186 22 H 1S -0.00649 -0.02163 0.00339 0.01690 -0.00102 187 2S -0.00200 -0.01156 0.00512 0.00921 -0.00140 188 23 H 1S 0.00813 0.00940 -0.00345 -0.00179 0.00094 189 2S 0.00618 0.02183 -0.00528 -0.01227 0.00117 11 12 13 14 15 11 4YY 0.00114 12 4ZZ -0.00019 0.00089 13 4XY 0.00000 -0.00032 0.00095 14 4XZ -0.00048 0.00026 -0.00017 0.00067 15 4YZ 0.00014 -0.00011 0.00042 -0.00028 0.00117 16 2 C 1S 0.00118 -0.00024 -0.00373 -0.00330 -0.00332 17 2S -0.00344 0.00008 0.00671 0.00637 0.00625 18 2PX 0.00220 -0.00219 -0.00236 -0.00296 -0.00857 19 2PY 0.01331 -0.00190 0.00163 -0.00724 0.00162 20 2PZ 0.00246 0.01017 -0.00838 0.00074 -0.00096 21 3S -0.00287 -0.00161 0.00854 0.00402 0.00762 22 3PX -0.00025 -0.00269 0.00000 -0.00055 -0.00548 23 3PY 0.00408 0.00056 0.00027 -0.00162 0.00013 24 3PZ 0.00198 0.00448 -0.00454 0.00042 0.00162 25 4XX -0.00020 0.00012 -0.00005 0.00004 -0.00034 26 4YY 0.00096 -0.00047 0.00024 -0.00056 0.00029 27 4ZZ -0.00037 0.00030 -0.00056 0.00018 -0.00043 28 4XY 0.00009 -0.00028 0.00027 0.00003 0.00026 29 4XZ -0.00031 0.00010 -0.00010 0.00045 0.00003 30 4YZ -0.00002 -0.00044 0.00010 -0.00005 0.00013 31 3 C 1S 0.00081 -0.00156 0.00079 -0.00073 0.00027 32 2S -0.00158 0.00302 -0.00173 0.00157 -0.00069 33 2PX 0.00138 -0.00377 0.00102 -0.00129 0.00015 34 2PY -0.00124 0.00210 -0.00250 0.00116 0.00024 35 2PZ 0.00397 -0.00733 0.00402 -0.00607 0.00075 36 3S -0.00435 0.00350 -0.00172 0.00278 -0.00357 37 3PX 0.00070 -0.00170 0.00039 -0.00059 0.00017 38 3PY 0.00008 0.00119 -0.00209 0.00026 -0.00024 39 3PZ 0.00203 -0.00434 0.00270 -0.00305 0.00127 40 4XX 0.00007 -0.00013 0.00006 -0.00013 0.00012 41 4YY 0.00035 -0.00004 0.00000 -0.00017 0.00008 42 4ZZ -0.00033 0.00002 0.00010 0.00024 -0.00004 43 4XY -0.00002 -0.00015 0.00001 -0.00004 -0.00002 44 4XZ -0.00010 0.00019 -0.00001 0.00024 0.00032 45 4YZ -0.00011 -0.00019 0.00008 -0.00013 -0.00005 46 4 C 1S -0.00020 -0.00037 -0.00004 0.00009 -0.00021 47 2S 0.00036 0.00057 0.00040 -0.00017 0.00066 48 2PX 0.00065 -0.00085 0.00037 -0.00006 -0.00122 49 2PY 0.00190 -0.00047 0.00034 -0.00073 -0.00083 50 2PZ 0.00059 -0.00074 -0.00159 0.00000 -0.00019 51 3S 0.00205 0.00193 -0.00050 -0.00078 0.00335 52 3PX -0.00004 -0.00043 0.00021 0.00014 -0.00073 53 3PY 0.00223 -0.00055 0.00015 -0.00102 -0.00066 54 3PZ 0.00057 -0.00069 -0.00145 -0.00003 -0.00060 55 4XX 0.00000 -0.00005 0.00006 0.00003 -0.00020 56 4YY -0.00008 0.00000 0.00012 0.00001 0.00000 57 4ZZ 0.00004 0.00005 -0.00026 -0.00002 0.00013 58 4XY -0.00002 -0.00008 0.00008 -0.00002 0.00000 59 4XZ 0.00005 -0.00005 0.00014 0.00004 -0.00038 60 4YZ 0.00008 -0.00019 0.00027 -0.00018 0.00006 61 5 C 1S -0.00096 -0.00025 0.00180 -0.00008 0.00116 62 2S 0.00214 0.00080 -0.00376 0.00016 -0.00224 63 2PX -0.00147 0.00075 -0.00179 -0.00173 0.01077 64 2PY 0.00422 0.00076 -0.00591 -0.00001 -0.00219 65 2PZ -0.00324 -0.00147 0.00819 -0.00049 -0.00079 66 3S 0.00135 0.00112 -0.00563 0.00036 -0.00433 67 3PX 0.00079 0.00046 -0.00236 -0.00133 0.00703 68 3PY 0.00088 -0.00001 -0.00276 0.00020 -0.00146 69 3PZ -0.00087 -0.00208 0.00456 -0.00042 -0.00175 70 4XX 0.00005 -0.00004 0.00039 -0.00001 -0.00032 71 4YY -0.00003 -0.00027 0.00013 -0.00009 0.00012 72 4ZZ -0.00001 0.00015 -0.00015 -0.00001 0.00047 73 4XY -0.00031 0.00018 0.00009 0.00005 0.00023 74 4XZ 0.00021 0.00003 -0.00008 0.00004 -0.00001 75 4YZ -0.00023 0.00018 0.00029 0.00004 0.00003 76 6 C 1S -0.00695 0.00269 -0.00016 0.00058 -0.00018 77 2S 0.01218 -0.00612 -0.00021 -0.00150 -0.00010 78 2PX 0.00109 0.00091 -0.01297 0.00061 -0.00005 79 2PY 0.00580 -0.00925 -0.00145 -0.00312 0.00022 80 2PZ 0.00050 -0.00155 0.00018 0.00043 -0.01358 81 3S 0.01205 -0.00574 0.00225 -0.00359 0.00428 82 3PX -0.00009 0.00114 -0.00623 0.00029 0.00435 83 3PY 0.00269 -0.00259 -0.00083 -0.00186 0.00193 84 3PZ -0.00090 -0.00106 0.00341 0.00022 -0.00545 85 4XX -0.00029 0.00036 -0.00031 0.00000 0.00020 86 4YY -0.00016 -0.00028 0.00013 0.00023 -0.00009 87 4ZZ -0.00028 0.00033 0.00028 0.00005 0.00003 88 4XY -0.00013 -0.00028 0.00043 -0.00005 0.00050 89 4XZ 0.00023 0.00005 0.00005 0.00004 0.00011 90 4YZ 0.00009 -0.00003 0.00050 -0.00011 0.00081 91 7 H 1S -0.00407 0.00550 -0.00785 0.00827 -0.01087 92 2S -0.00362 0.00647 -0.00774 0.00608 -0.01062 93 8 H 1S 0.00806 -0.00273 0.00411 -0.00313 0.00349 94 2S 0.00889 -0.00329 0.00215 -0.00474 0.00263 95 9 H 1S 0.00033 -0.00156 0.00015 -0.00073 0.00083 96 2S 0.00077 -0.00124 0.00046 -0.00081 0.00265 97 10 H 1S 0.00013 -0.00008 0.00000 0.00035 -0.00131 98 2S 0.00006 -0.00013 0.00028 0.00060 -0.00304 99 11 H 1S -0.00127 -0.00082 0.00167 -0.00027 0.00090 100 2S -0.00118 -0.00192 0.00249 -0.00048 0.00055 101 12 H 1S 0.00186 0.00080 0.00512 -0.00002 0.00716 102 2S -0.00151 0.00192 0.00529 0.00049 0.00782 103 13 C 1S 0.00004 -0.00029 -0.00017 0.00039 0.00066 104 2S -0.00016 0.00024 0.00053 -0.00088 -0.00094 105 2PX 0.00263 0.00291 -0.00297 0.00048 0.00435 106 2PY -0.00085 -0.00015 0.00044 -0.00018 -0.00114 107 2PZ -0.00130 -0.00243 0.00268 0.00039 -0.00363 108 3S -0.00169 0.00040 0.00083 -0.00036 -0.00243 109 3PX 0.00184 0.00224 -0.00266 0.00043 0.00313 110 3PY 0.00011 -0.00090 0.00134 -0.00057 -0.00123 111 3PZ -0.00116 -0.00129 0.00150 0.00028 -0.00358 112 4XX -0.00010 -0.00022 0.00008 0.00007 -0.00014 113 4YY 0.00008 0.00001 -0.00001 -0.00004 0.00004 114 4ZZ 0.00007 0.00017 -0.00011 0.00001 0.00009 115 4XY -0.00004 0.00002 -0.00003 0.00000 0.00001 116 4XZ 0.00010 0.00012 -0.00007 -0.00003 0.00009 117 4YZ 0.00007 0.00000 0.00001 0.00008 0.00002 118 14 O 1S -0.00006 -0.00013 -0.00001 -0.00007 -0.00018 119 2S 0.00022 0.00056 -0.00003 0.00008 0.00030 120 2PX -0.00167 -0.00254 0.00169 -0.00035 -0.00253 121 2PY -0.00014 -0.00020 -0.00006 0.00047 0.00051 122 2PZ 0.00100 0.00209 -0.00139 0.00009 0.00235 123 3S 0.00019 0.00009 0.00011 0.00016 0.00123 124 3PX -0.00128 -0.00180 0.00141 -0.00017 -0.00239 125 3PY -0.00012 -0.00005 -0.00014 0.00034 0.00031 126 3PZ 0.00108 0.00199 -0.00138 0.00012 0.00209 127 4XX -0.00005 -0.00002 0.00009 0.00000 -0.00014 128 4YY 0.00002 0.00003 0.00000 -0.00002 -0.00005 129 4ZZ 0.00001 0.00007 -0.00009 0.00001 0.00008 130 4XY 0.00007 0.00009 -0.00006 0.00000 0.00010 131 4XZ 0.00001 0.00003 -0.00001 -0.00002 0.00002 132 4YZ 0.00000 -0.00006 0.00002 -0.00001 -0.00002 133 15 C 1S -0.00001 -0.00005 -0.00008 0.00009 0.00010 134 2S -0.00017 0.00000 0.00016 -0.00011 -0.00026 135 2PX 0.00030 0.00020 -0.00013 0.00023 0.00037 136 2PY 0.00004 0.00020 -0.00006 -0.00024 -0.00019 137 2PZ 0.00010 0.00011 -0.00029 0.00014 0.00024 138 3S -0.00031 -0.00026 0.00027 -0.00021 -0.00048 139 3PX -0.00001 0.00012 -0.00013 0.00011 0.00014 140 3PY -0.00003 0.00003 -0.00009 -0.00008 0.00011 141 3PZ 0.00029 0.00067 -0.00046 0.00021 0.00057 142 4XX 0.00009 0.00013 -0.00005 0.00004 0.00009 143 4YY -0.00002 0.00000 0.00001 -0.00002 0.00002 144 4ZZ -0.00006 -0.00011 0.00004 -0.00001 -0.00009 145 4XY -0.00004 -0.00008 0.00006 0.00002 -0.00010 146 4XZ 0.00002 0.00001 -0.00002 0.00000 0.00001 147 4YZ 0.00003 0.00004 -0.00007 0.00001 0.00012 148 16 C 1S -0.00007 -0.00009 -0.00015 0.00014 0.00012 149 2S 0.00011 0.00012 0.00040 -0.00022 -0.00031 150 2PX 0.00086 0.00078 -0.00032 0.00094 0.00042 151 2PY 0.00089 0.00044 -0.00083 -0.00027 0.00109 152 2PZ -0.00024 -0.00055 -0.00062 -0.00048 0.00030 153 3S 0.00068 -0.00088 0.00199 -0.00100 -0.00082 154 3PX 0.00029 0.00002 0.00069 0.00051 -0.00006 155 3PY 0.00078 -0.00009 -0.00034 -0.00015 0.00064 156 3PZ -0.00031 -0.00039 0.00057 -0.00056 0.00063 157 4XX 0.00003 -0.00002 -0.00023 0.00002 0.00018 158 4YY 0.00000 -0.00001 0.00009 -0.00003 -0.00004 159 4ZZ -0.00001 0.00004 0.00008 0.00004 -0.00003 160 4XY 0.00012 0.00015 -0.00017 0.00000 0.00028 161 4XZ -0.00001 -0.00003 0.00010 0.00003 -0.00011 162 4YZ -0.00010 -0.00014 0.00022 0.00001 -0.00028 163 17 H 1S 0.00037 0.00047 -0.00021 0.00017 0.00044 164 2S 0.00070 0.00082 -0.00047 0.00027 0.00086 165 18 H 1S -0.00023 -0.00041 0.00014 -0.00006 -0.00038 166 2S -0.00051 -0.00114 0.00053 -0.00017 -0.00089 167 19 O 1S -0.00004 0.00000 0.00015 -0.00004 -0.00002 168 2S 0.00004 -0.00011 -0.00016 0.00009 -0.00007 169 2PX -0.00041 -0.00058 -0.00003 -0.00051 0.00033 170 2PY -0.00024 -0.00028 0.00001 0.00026 -0.00006 171 2PZ 0.00034 0.00066 0.00025 0.00007 0.00020 172 3S 0.00028 0.00054 -0.00178 0.00022 0.00067 173 3PX -0.00031 -0.00046 0.00025 -0.00043 0.00026 174 3PY -0.00018 -0.00004 -0.00020 0.00024 0.00007 175 3PZ 0.00030 0.00051 0.00043 0.00015 0.00008 176 4XX -0.00002 -0.00001 0.00007 -0.00002 -0.00004 177 4YY -0.00002 -0.00004 0.00007 0.00000 -0.00003 178 4ZZ -0.00002 -0.00003 0.00009 0.00001 -0.00008 179 4XY -0.00003 -0.00003 0.00002 -0.00002 0.00001 180 4XZ 0.00000 0.00000 -0.00001 0.00001 -0.00001 181 4YZ -0.00002 0.00000 0.00006 0.00000 -0.00005 182 20 H 1S -0.00031 0.00069 -0.00159 0.00023 0.00150 183 2S -0.00064 0.00071 -0.00181 0.00036 0.00143 184 21 H 1S -0.00014 -0.00072 0.00062 -0.00133 -0.00077 185 2S -0.00013 -0.00169 0.00141 -0.00151 -0.00146 186 22 H 1S 0.00002 0.00110 -0.00076 -0.00068 0.00057 187 2S 0.00026 0.00140 -0.00166 -0.00025 0.00089 188 23 H 1S -0.00043 -0.00018 0.00129 0.00016 -0.00121 189 2S -0.00052 -0.00024 0.00125 0.00024 -0.00070 16 17 18 19 20 16 2 C 1S 2.05499 17 2S -0.06133 0.32633 18 2PX 0.00315 -0.00484 0.35440 19 2PY -0.00192 -0.00376 0.02302 0.41151 20 2PZ 0.00214 0.00093 0.04001 -0.00391 0.38399 21 3S -0.19781 0.29070 0.01225 0.00351 -0.02807 22 3PX -0.00758 0.01604 0.19637 -0.01983 -0.03217 23 3PY 0.00758 0.00820 0.00467 0.13002 0.01758 24 3PZ 0.00298 -0.00462 -0.04853 0.01429 0.17020 25 4XX -0.01132 -0.01296 -0.00889 -0.00494 -0.00137 26 4YY -0.01838 0.00158 0.00429 0.02195 -0.00252 27 4ZZ -0.01398 -0.00730 0.00781 -0.01079 0.00470 28 4XY -0.00162 0.00345 -0.00761 0.00005 -0.00415 29 4XZ -0.00249 0.00560 -0.00453 -0.00528 -0.00116 30 4YZ 0.00081 -0.00153 -0.00335 -0.00229 -0.01081 31 3 C 1S 0.01252 -0.02297 -0.02143 0.02956 -0.05184 32 2S -0.02336 0.03914 0.04299 -0.05548 0.10796 33 2PX 0.01708 -0.03372 0.00051 0.02748 -0.08299 34 2PY -0.02350 0.04868 0.02058 -0.03157 0.11041 35 2PZ 0.06431 -0.13740 -0.10107 0.12209 -0.23451 36 3S 0.00258 0.02396 0.09358 -0.11182 0.08683 37 3PX 0.00270 -0.01328 -0.00002 0.01603 -0.03734 38 3PY -0.00571 0.01148 0.01359 0.00260 0.05339 39 3PZ 0.01309 -0.04402 -0.04350 0.05775 -0.11715 40 4XX 0.00197 -0.00450 -0.00736 0.00167 -0.00375 41 4YY 0.00081 -0.00222 -0.00072 0.00983 -0.00224 42 4ZZ -0.00456 0.00848 0.00573 -0.00739 0.00103 43 4XY 0.00115 -0.00204 0.00143 -0.00103 -0.00361 44 4XZ -0.00264 0.00524 -0.00785 -0.00344 0.00571 45 4YZ 0.00410 -0.00767 -0.00393 -0.00341 -0.00869 46 4 C 1S -0.00202 0.00420 0.00310 -0.00914 0.00489 47 2S 0.00459 -0.00918 -0.00432 0.01813 -0.01663 48 2PX -0.00180 0.00337 0.00565 -0.00361 0.00159 49 2PY 0.01024 -0.02612 -0.00236 0.03529 -0.03068 50 2PZ -0.00336 0.01374 0.00368 -0.00754 0.02387 51 3S -0.00082 -0.01381 -0.04768 0.07650 0.00219 52 3PX 0.00044 0.00408 0.00896 -0.00860 -0.00185 53 3PY 0.00685 -0.01928 -0.00922 0.05188 -0.01857 54 3PZ 0.00016 0.00716 0.01325 -0.00332 0.01589 55 4XX -0.00043 0.00105 0.00160 -0.00085 -0.00003 56 4YY -0.00057 0.00088 0.00257 -0.00192 0.00053 57 4ZZ 0.00018 -0.00091 -0.00295 0.00150 0.00092 58 4XY 0.00034 -0.00060 0.00054 0.00070 -0.00295 59 4XZ -0.00007 0.00012 0.00227 -0.00068 -0.00232 60 4YZ 0.00151 -0.00341 -0.00257 0.00454 -0.00723 61 5 C 1S -0.00468 0.00678 0.00443 -0.01024 -0.00218 62 2S 0.00678 -0.01943 -0.01493 0.02846 0.00306 63 2PX 0.00444 -0.01494 -0.09410 0.02688 0.03865 64 2PY 0.01024 -0.02846 -0.02686 0.03618 0.01453 65 2PZ -0.00218 0.00306 0.03865 -0.01452 -0.06998 66 3S 0.02825 -0.03182 0.02299 0.03182 0.02406 67 3PX 0.00346 -0.01217 -0.08552 0.02906 0.03407 68 3PY 0.01062 -0.00751 0.01954 -0.01165 0.01762 69 3PZ -0.00234 0.00645 0.04464 -0.01710 -0.05610 70 4XX -0.00045 -0.00045 0.00092 0.00052 -0.00105 71 4YY -0.00084 0.00068 0.00196 -0.00122 -0.00053 72 4ZZ -0.00046 0.00014 -0.00232 0.00074 0.00066 73 4XY -0.00044 0.00070 -0.00076 -0.00097 -0.00146 74 4XZ 0.00005 0.00038 0.00001 -0.00024 0.00002 75 4YZ 0.00001 -0.00004 -0.00161 0.00042 -0.00128 76 6 C 1S -0.00340 0.00823 -0.00832 -0.01167 -0.00446 77 2S 0.00831 -0.01879 0.02655 0.02675 0.01369 78 2PX 0.00083 -0.00174 -0.00638 0.00246 0.02038 79 2PY 0.01224 -0.03290 0.03169 0.03373 0.01505 80 2PZ 0.00587 -0.01501 0.02711 0.00710 -0.00551 81 3S -0.00303 -0.01977 -0.05034 0.09132 -0.01049 82 3PX -0.00672 0.00622 -0.04989 0.00085 0.00961 83 3PY 0.00510 -0.01885 -0.02123 0.05079 0.00766 84 3PZ -0.00511 -0.00130 -0.00966 -0.00106 -0.02947 85 4XX 0.00018 -0.00040 -0.00314 0.00096 0.00187 86 4YY -0.00096 0.00214 -0.00147 -0.00421 -0.00324 87 4ZZ -0.00025 0.00080 0.00075 -0.00076 -0.00147 88 4XY -0.00180 0.00376 0.00179 -0.00591 -0.00819 89 4XZ -0.00009 0.00016 -0.00173 0.00001 -0.00049 90 4YZ -0.00116 0.00224 -0.01077 -0.00219 0.00079 91 7 H 1S 0.01338 -0.02791 0.03271 0.00421 0.03215 92 2S 0.01887 -0.03229 0.07741 -0.00143 0.06794 93 8 H 1S -0.05969 0.11295 0.02943 0.26416 -0.02261 94 2S -0.01311 0.02597 0.00928 0.24494 -0.02195 95 9 H 1S 0.00809 -0.01963 -0.02500 0.00184 -0.02345 96 2S 0.01421 -0.02688 -0.08199 0.01218 -0.02899 97 10 H 1S -0.00421 0.01108 0.01223 -0.01109 0.01091 98 2S -0.00628 0.01442 0.02776 -0.02015 0.01333 99 11 H 1S -0.00252 0.00795 0.01087 -0.00924 -0.00291 100 2S -0.00361 0.01394 0.03432 -0.02541 -0.00578 101 12 H 1S -0.00753 0.01707 -0.03031 -0.01510 -0.01497 102 2S -0.01234 0.02410 -0.06563 -0.03044 -0.02984 103 13 C 1S -0.00195 0.00260 -0.00844 0.00428 0.00245 104 2S 0.00085 -0.01172 0.01025 -0.00287 -0.00673 105 2PX 0.00438 -0.00254 -0.10007 0.03474 0.05651 106 2PY 0.00057 -0.00518 0.02519 -0.01767 -0.00962 107 2PZ -0.00771 0.01090 0.08813 -0.02312 -0.05947 108 3S 0.01939 -0.00898 0.03369 -0.03756 0.01771 109 3PX -0.00116 0.00241 -0.06897 0.02648 0.05827 110 3PY -0.00042 -0.00593 0.01876 0.00967 -0.01997 111 3PZ 0.00289 0.00279 0.07191 -0.01844 -0.02544 112 4XX -0.00166 0.00291 0.00639 -0.00236 -0.00506 113 4YY -0.00015 -0.00072 -0.00200 0.00233 0.00114 114 4ZZ 0.00005 -0.00093 -0.00300 0.00031 0.00308 115 4XY 0.00065 -0.00175 -0.00232 -0.00081 0.00135 116 4XZ 0.00087 -0.00215 -0.00444 0.00155 0.00101 117 4YZ -0.00069 0.00189 0.00161 0.00050 -0.00103 118 14 O 1S -0.00006 0.00124 0.00404 -0.00016 0.00063 119 2S 0.00144 -0.00357 -0.00922 0.00011 0.00160 120 2PX -0.00871 0.01382 0.06018 -0.01145 -0.01992 121 2PY 0.00185 -0.00158 -0.00860 -0.00100 0.00434 122 2PZ 0.00815 -0.00917 -0.05232 0.01312 0.02773 123 3S -0.00560 -0.00092 -0.01762 0.00057 -0.01792 124 3PX -0.00393 0.01001 0.05169 -0.01067 -0.01445 125 3PY 0.00167 -0.00082 -0.00514 -0.00137 0.00722 126 3PZ 0.00725 -0.00761 -0.04912 0.01409 0.03125 127 4XX 0.00024 -0.00022 0.00249 -0.00102 -0.00083 128 4YY 0.00041 0.00028 0.00014 0.00053 0.00077 129 4ZZ 0.00077 -0.00013 -0.00221 0.00025 0.00242 130 4XY 0.00030 -0.00069 -0.00263 0.00048 0.00036 131 4XZ 0.00009 -0.00043 -0.00078 0.00004 0.00006 132 4YZ -0.00035 0.00059 0.00104 0.00015 -0.00079 133 15 C 1S 0.00031 0.00016 -0.00230 0.00028 0.00028 134 2S -0.00014 0.00012 0.00528 -0.00125 -0.00036 135 2PX 0.00106 -0.00104 -0.00789 0.00129 0.00106 136 2PY -0.00029 0.00035 0.00361 0.00069 0.00186 137 2PZ -0.00089 0.00172 -0.00117 0.00103 0.00274 138 3S -0.00167 -0.00067 0.01412 -0.00313 -0.00049 139 3PX 0.00070 0.00067 -0.00054 -0.00011 0.00161 140 3PY 0.00010 -0.00080 -0.00120 -0.00034 0.00116 141 3PZ -0.00012 0.00145 -0.01063 0.00170 0.00866 142 4XX 0.00047 -0.00028 -0.00260 0.00032 0.00062 143 4YY 0.00012 -0.00014 -0.00035 0.00024 0.00036 144 4ZZ -0.00034 0.00032 0.00261 -0.00051 -0.00089 145 4XY -0.00036 0.00075 0.00234 -0.00068 -0.00100 146 4XZ -0.00011 0.00015 0.00004 0.00017 -0.00005 147 4YZ 0.00050 -0.00078 -0.00242 0.00047 0.00097 148 16 C 1S -0.00096 0.00324 0.00345 -0.00441 -0.00066 149 2S 0.00309 -0.00397 -0.00801 0.00651 0.00422 150 2PX -0.00602 0.01970 0.00550 -0.00668 -0.00167 151 2PY 0.00166 -0.00257 -0.02186 0.01611 0.01217 152 2PZ 0.00543 -0.01608 -0.01141 0.00646 0.00573 153 3S -0.00390 -0.01547 -0.01235 0.04107 -0.01991 154 3PX -0.00525 0.01582 0.01447 -0.00809 -0.01702 155 3PY -0.00344 0.00096 -0.00298 0.01500 -0.01066 156 3PZ 0.00095 -0.01385 -0.02188 0.00945 -0.00461 157 4XX -0.00015 0.00009 -0.00100 -0.00029 0.00082 158 4YY 0.00008 -0.00002 0.00029 0.00010 -0.00048 159 4ZZ -0.00011 0.00080 0.00016 -0.00085 0.00001 160 4XY 0.00037 -0.00017 -0.00560 0.00230 0.00325 161 4XZ -0.00016 0.00052 0.00162 -0.00076 -0.00149 162 4YZ -0.00043 0.00030 0.00505 -0.00154 -0.00330 163 17 H 1S 0.00142 -0.00087 -0.01077 0.00153 0.00282 164 2S 0.00191 -0.00083 -0.02156 0.00370 0.00565 165 18 H 1S -0.00145 0.00102 0.00985 -0.00186 -0.00338 166 2S -0.00191 0.00050 0.01930 -0.00327 -0.01361 167 19 O 1S -0.00022 -0.00083 -0.00029 0.00057 -0.00038 168 2S -0.00032 0.00189 0.00260 -0.00159 -0.00241 169 2PX 0.00196 -0.01053 -0.00511 0.00636 0.00385 170 2PY -0.00012 0.00069 0.00505 -0.00592 -0.00207 171 2PZ -0.00038 0.00618 -0.01086 0.00506 0.00367 172 3S 0.00417 0.00260 -0.00468 -0.00354 0.01629 173 3PX 0.00087 -0.00950 -0.00800 0.00668 0.00037 174 3PY 0.00084 0.00063 0.00068 -0.00534 0.00212 175 3PZ -0.00100 0.00695 -0.00653 0.00313 0.00013 176 4XX 0.00013 -0.00070 -0.00054 0.00032 -0.00035 177 4YY -0.00035 0.00001 0.00039 -0.00001 -0.00100 178 4ZZ -0.00059 0.00049 0.00161 -0.00047 -0.00143 179 4XY -0.00006 -0.00032 0.00006 -0.00005 -0.00023 180 4XZ -0.00001 0.00012 0.00024 -0.00009 -0.00015 181 4YZ 0.00000 0.00005 0.00046 -0.00022 -0.00048 182 20 H 1S -0.00194 0.00810 -0.00892 -0.00400 0.02445 183 2S -0.00257 0.00829 -0.01196 -0.01248 0.03388 184 21 H 1S 0.00810 -0.02346 -0.00301 0.00515 -0.02613 185 2S 0.01255 -0.02988 0.00776 0.01033 -0.05902 186 22 H 1S 0.00600 -0.01492 -0.02504 0.00206 0.02148 187 2S 0.00674 -0.01323 -0.02736 0.00706 0.02822 188 23 H 1S -0.00217 0.00570 0.01886 -0.00820 -0.01269 189 2S -0.00428 0.00822 0.02244 -0.01240 -0.02171 21 22 23 24 25 21 3S 0.30063 22 3PX 0.02129 0.12487 23 3PY -0.00563 -0.00624 0.05321 24 3PZ -0.02582 -0.05271 0.01514 0.09659 25 4XX -0.01129 -0.00518 -0.00167 0.00075 0.00149 26 4YY 0.00386 0.00114 0.00652 -0.00038 -0.00052 27 4ZZ -0.00678 0.00449 -0.00330 -0.00006 0.00007 28 4XY 0.00321 -0.00319 -0.00011 -0.00028 0.00000 29 4XZ 0.00351 -0.00169 -0.00145 0.00063 -0.00001 30 4YZ -0.00060 -0.00006 -0.00162 -0.00357 0.00014 31 3 C 1S -0.00158 -0.00447 0.00708 -0.00574 0.00165 32 2S 0.01520 0.01064 -0.01664 0.02430 -0.00383 33 2PX -0.03856 0.00011 0.00297 -0.01549 0.00730 34 2PY 0.03621 0.00744 -0.01298 0.05084 -0.00065 35 2PZ -0.11064 -0.03884 0.01884 -0.09077 0.00545 36 3S 0.00025 0.04851 -0.02853 -0.00063 -0.00365 37 3PX -0.01153 -0.00164 -0.00036 -0.00754 0.00317 38 3PY 0.00988 0.00133 -0.00475 0.02377 -0.00081 39 3PZ -0.02319 -0.01622 0.00275 -0.04787 0.00129 40 4XX -0.00464 -0.00411 -0.00008 0.00009 0.00055 41 4YY -0.00177 -0.00125 0.00342 -0.00014 -0.00011 42 4ZZ 0.00861 0.00455 -0.00229 -0.00148 -0.00043 43 4XY -0.00248 0.00119 -0.00060 -0.00105 0.00026 44 4XZ 0.00331 -0.00505 -0.00034 0.00512 0.00024 45 4YZ -0.00613 -0.00155 -0.00276 -0.00415 0.00030 46 4 C 1S 0.00385 0.00368 -0.00396 0.00182 0.00030 47 2S -0.00945 -0.00480 0.00899 -0.00699 -0.00104 48 2PX 0.01290 -0.00201 -0.00014 -0.00416 0.00016 49 2PY -0.02808 -0.00942 0.01240 -0.02231 -0.00101 50 2PZ -0.00623 0.01452 0.02513 0.02494 0.00235 51 3S -0.01019 -0.04237 0.02365 0.01384 -0.00084 52 3PX 0.00770 0.00407 -0.00201 -0.00494 0.00010 53 3PY -0.01837 -0.01155 0.01565 -0.00894 -0.00038 54 3PZ -0.00340 0.01370 0.01143 0.01345 0.00079 55 4XX 0.00059 0.00185 0.00079 -0.00002 0.00012 56 4YY 0.00051 0.00138 -0.00036 -0.00117 -0.00021 57 4ZZ -0.00049 -0.00227 -0.00067 0.00161 0.00010 58 4XY -0.00113 0.00075 0.00018 -0.00084 0.00020 59 4XZ -0.00028 0.00192 -0.00021 -0.00237 -0.00014 60 4YZ -0.00211 -0.00124 0.00039 -0.00342 0.00004 61 5 C 1S 0.02825 0.00346 -0.01062 -0.00234 -0.00045 62 2S -0.03182 -0.01217 0.00751 0.00645 -0.00045 63 2PX 0.02300 -0.08553 -0.01955 0.04464 0.00092 64 2PY -0.03183 -0.02905 -0.01164 0.01710 -0.00052 65 2PZ 0.02405 0.03407 -0.01761 -0.05610 -0.00105 66 3S -0.04410 0.00580 0.00615 0.01062 0.00048 67 3PX 0.00581 -0.07056 -0.00673 0.04022 0.00074 68 3PY -0.00615 0.00673 -0.01300 0.00672 -0.00022 69 3PZ 0.01062 0.04023 -0.00671 -0.04212 -0.00188 70 4XX 0.00048 0.00074 0.00022 -0.00188 0.00045 71 4YY 0.00050 0.00168 0.00039 -0.00021 -0.00016 72 4ZZ 0.00055 -0.00204 -0.00018 0.00145 -0.00017 73 4XY 0.00203 -0.00098 -0.00099 -0.00105 0.00001 74 4XZ -0.00018 -0.00004 0.00026 -0.00010 -0.00019 75 4YZ 0.00050 -0.00116 0.00007 -0.00136 0.00007 76 6 C 1S 0.00597 -0.00436 -0.00283 -0.00411 0.00055 77 2S -0.02039 0.01395 0.01068 0.00852 -0.00122 78 2PX -0.03770 -0.00490 0.00152 0.03958 -0.00654 79 2PY -0.02415 0.01849 -0.00564 0.02545 -0.00245 80 2PZ -0.04547 0.03621 0.01117 -0.01414 0.00490 81 3S -0.00894 -0.03722 0.02368 0.01302 -0.00039 82 3PX -0.00719 -0.03354 -0.00136 0.03089 -0.00408 83 3PY -0.01227 -0.01960 0.00590 0.01855 -0.00039 84 3PZ -0.00388 0.00655 0.00063 -0.02248 0.00387 85 4XX 0.00002 -0.00305 -0.00037 0.00162 0.00008 86 4YY 0.00135 0.00079 -0.00088 -0.00087 0.00005 87 4ZZ 0.00112 0.00046 0.00001 -0.00208 -0.00004 88 4XY 0.00563 0.00236 -0.00276 -0.00457 -0.00039 89 4XZ 0.00037 -0.00133 -0.00020 -0.00042 -0.00001 90 4YZ 0.00433 -0.00703 -0.00146 0.00175 0.00032 91 7 H 1S -0.05771 0.01770 0.01040 0.00730 0.00307 92 2S -0.05898 0.03769 0.01145 0.01284 0.00157 93 8 H 1S 0.11235 0.00498 0.08410 -0.00405 -0.00852 94 2S 0.03320 -0.01110 0.07232 0.00217 -0.00501 95 9 H 1S -0.03206 -0.01668 -0.00582 0.00220 0.00458 96 2S -0.04475 -0.04620 0.00375 0.01692 0.00610 97 10 H 1S 0.01101 0.00908 0.00455 0.00278 -0.00024 98 2S 0.01060 0.02205 0.00342 -0.00199 -0.00114 99 11 H 1S 0.00543 0.01174 0.00990 -0.00326 -0.00021 100 2S 0.01443 0.02815 0.00401 -0.00904 -0.00090 101 12 H 1S 0.04153 -0.02563 -0.00659 -0.01358 0.00034 102 2S 0.04889 -0.04372 -0.01573 -0.01523 0.00109 103 13 C 1S 0.00479 0.00167 0.00191 0.00396 -0.00149 104 2S 0.00189 -0.00231 -0.00686 -0.00722 0.00264 105 2PX -0.00880 -0.06592 0.01521 0.05403 -0.00496 106 2PY 0.00295 0.01541 -0.00271 -0.01962 0.00346 107 2PZ 0.03434 0.06242 -0.01960 -0.05024 0.00291 108 3S 0.00633 0.00809 -0.01663 -0.00659 0.00472 109 3PX -0.01131 -0.04890 0.01405 0.04815 -0.00307 110 3PY 0.00142 0.01363 -0.00005 -0.01788 0.00193 111 3PZ 0.01276 0.04702 -0.01041 -0.03220 0.00247 112 4XX 0.00712 0.00462 -0.00312 -0.00457 -0.00044 113 4YY -0.00221 -0.00123 0.00109 0.00142 0.00004 114 4ZZ -0.00431 -0.00194 0.00251 0.00257 0.00018 115 4XY 0.00026 -0.00166 -0.00187 0.00108 0.00038 116 4XZ -0.00174 -0.00304 0.00075 0.00144 0.00023 117 4YZ -0.00001 0.00253 0.00115 0.00021 -0.00043 118 14 O 1S -0.00072 -0.00230 0.00275 -0.00410 0.00035 119 2S 0.00713 0.00370 -0.00818 0.00912 -0.00046 120 2PX 0.06015 0.03304 -0.03526 -0.03603 -0.00294 121 2PY -0.03805 0.01208 0.00552 0.01763 0.00032 122 2PZ -0.09379 -0.02382 0.05511 0.04421 0.00201 123 3S 0.00111 0.00863 -0.00729 0.00833 -0.00246 124 3PX 0.04693 0.02864 -0.02790 -0.02875 -0.00148 125 3PY -0.02465 0.00709 0.00345 0.01326 0.00033 126 3PZ -0.06965 -0.02554 0.04139 0.04032 0.00128 127 4XX -0.00102 0.00166 0.00027 -0.00089 0.00033 128 4YY 0.00234 -0.00115 -0.00011 -0.00071 -0.00001 129 4ZZ 0.00016 -0.00189 -0.00023 0.00145 -0.00001 130 4XY -0.00189 -0.00172 0.00110 0.00119 0.00010 131 4XZ 0.00061 -0.00060 -0.00050 0.00008 -0.00002 132 4YZ 0.00343 0.00027 -0.00176 -0.00116 -0.00021 133 15 C 1S -0.00427 -0.00077 0.00191 0.00078 0.00004 134 2S 0.00569 0.00091 -0.00097 -0.00391 0.00020 135 2PX -0.01577 -0.00103 0.00453 0.00865 0.00021 136 2PY 0.00790 -0.00267 0.00141 -0.00228 -0.00035 137 2PZ 0.01037 -0.00060 -0.00641 0.00421 -0.00101 138 3S 0.00771 0.00509 -0.00322 -0.00671 0.00069 139 3PX -0.00049 0.00104 -0.00155 0.00251 -0.00030 140 3PY -0.00407 -0.00170 0.00207 0.00056 0.00023 141 3PZ -0.00685 -0.00525 0.00533 0.00993 -0.00113 142 4XX -0.00398 -0.00129 0.00246 0.00156 0.00006 143 4YY -0.00117 0.00005 0.00051 0.00071 -0.00003 144 4ZZ 0.00503 0.00109 -0.00301 -0.00210 -0.00004 145 4XY 0.00072 0.00172 -0.00061 -0.00133 -0.00015 146 4XZ 0.00050 -0.00014 0.00009 -0.00040 -0.00006 147 4YZ -0.00383 -0.00104 0.00135 0.00158 0.00024 148 16 C 1S -0.00040 0.00317 0.00096 -0.00133 -0.00050 149 2S -0.00631 -0.00581 0.00158 0.00434 0.00121 150 2PX -0.01557 0.01646 0.02125 -0.00020 -0.00642 151 2PY -0.00887 -0.01834 0.00077 0.01981 -0.00219 152 2PZ 0.00404 -0.02242 -0.01484 -0.00081 0.00551 153 3S -0.00131 -0.00672 0.00009 -0.00727 0.00314 154 3PX -0.00105 0.01960 0.01035 -0.00998 -0.00457 155 3PY -0.00791 0.00146 0.00611 0.00096 -0.00247 156 3PZ 0.00824 -0.02260 -0.01130 -0.00260 0.00448 157 4XX 0.00048 -0.00095 -0.00073 0.00042 0.00002 158 4YY 0.00091 0.00000 -0.00033 -0.00013 0.00001 159 4ZZ -0.00076 0.00059 0.00107 -0.00013 -0.00011 160 4XY -0.00075 -0.00377 0.00101 0.00331 -0.00023 161 4XZ -0.00094 0.00169 0.00101 -0.00148 -0.00002 162 4YZ 0.00172 0.00388 -0.00112 -0.00305 0.00021 163 17 H 1S -0.01834 -0.00436 0.01006 0.00827 0.00012 164 2S -0.02970 -0.00958 0.01785 0.01473 -0.00027 165 18 H 1S 0.02159 0.00372 -0.01273 -0.00671 -0.00017 166 2S 0.03437 0.00893 -0.02261 -0.01664 0.00052 167 19 O 1S 0.00478 0.00034 -0.00292 -0.00037 0.00005 168 2S -0.01174 0.00062 0.00710 -0.00261 0.00009 169 2PX 0.01340 -0.00598 -0.01719 0.00465 0.00284 170 2PY -0.01504 0.01029 0.00351 -0.00627 0.00057 171 2PZ -0.00940 -0.00676 0.01291 0.01134 -0.00300 172 3S -0.02205 -0.00577 0.01075 0.01418 -0.00127 173 3PX 0.00990 -0.00764 -0.01269 0.00164 0.00285 174 3PY -0.01203 0.00555 0.00296 -0.00118 0.00037 175 3PZ -0.00810 -0.00205 0.01200 0.00637 -0.00270 176 4XX -0.00027 -0.00061 -0.00014 -0.00022 0.00027 177 4YY -0.00009 0.00059 0.00005 -0.00109 0.00006 178 4ZZ 0.00112 0.00155 -0.00034 -0.00116 -0.00011 179 4XY 0.00078 0.00003 -0.00066 -0.00012 0.00012 180 4XZ -0.00042 0.00039 0.00024 -0.00009 -0.00002 181 4YZ 0.00012 0.00021 0.00012 -0.00030 0.00002 182 20 H 1S -0.00359 -0.00075 0.00943 0.02498 0.00137 183 2S 0.00100 -0.00617 0.00177 0.02867 0.00250 184 21 H 1S -0.01620 0.00408 -0.00731 -0.02954 -0.00244 185 2S -0.01438 0.01446 -0.00676 -0.04306 -0.00103 186 22 H 1S -0.01940 -0.02450 0.00643 0.01187 0.00237 187 2S -0.02511 -0.02492 0.01126 0.01827 0.00128 188 23 H 1S 0.00326 0.01990 0.00386 -0.01165 -0.00039 189 2S 0.00516 0.02251 0.00369 -0.01651 -0.00119 26 27 28 29 30 26 4YY 0.00186 27 4ZZ -0.00073 0.00145 28 4XY 0.00013 -0.00035 0.00042 29 4XZ -0.00039 0.00006 0.00009 0.00069 30 4YZ -0.00011 -0.00004 0.00027 0.00008 0.00065 31 3 C 1S 0.00168 -0.00512 0.00133 -0.00200 0.00340 32 2S -0.00345 0.00885 -0.00249 0.00367 -0.00664 33 2PX 0.00095 -0.00570 -0.00081 0.00911 0.00319 34 2PY -0.00950 0.00773 0.00065 0.00272 0.00438 35 2PZ 0.00364 0.00068 0.00406 -0.00358 0.00854 36 3S -0.00684 0.01172 -0.00382 0.00373 -0.00655 37 3PX 0.00064 -0.00266 -0.00044 0.00421 0.00139 38 3PY -0.00362 0.00391 -0.00012 0.00107 0.00182 39 3PZ 0.00256 -0.00033 0.00239 -0.00117 0.00426 40 4XX -0.00029 0.00004 0.00017 0.00026 0.00039 41 4YY 0.00085 -0.00055 -0.00004 -0.00019 -0.00020 42 4ZZ -0.00039 0.00029 0.00001 -0.00011 0.00009 43 4XY -0.00005 -0.00009 -0.00006 0.00038 0.00013 44 4XZ -0.00016 -0.00052 0.00012 0.00062 -0.00011 45 4YZ -0.00031 0.00033 0.00008 -0.00002 0.00031 46 4 C 1S -0.00148 0.00048 0.00034 0.00008 0.00110 47 2S 0.00319 -0.00116 -0.00074 -0.00025 -0.00198 48 2PX -0.00054 0.00019 -0.00001 -0.00082 0.00032 49 2PY 0.00818 -0.00393 -0.00173 -0.00099 -0.00724 50 2PZ -0.00101 0.00006 0.00056 -0.00056 0.00107 51 3S 0.00541 -0.00338 -0.00077 -0.00033 -0.00250 52 3PX -0.00059 0.00022 -0.00018 -0.00058 0.00018 53 3PY 0.00566 -0.00313 -0.00045 -0.00110 -0.00317 54 3PZ 0.00002 -0.00023 0.00014 -0.00060 0.00055 55 4XX -0.00023 0.00006 0.00006 -0.00005 0.00021 56 4YY 0.00009 0.00022 -0.00008 0.00008 -0.00034 57 4ZZ -0.00009 -0.00005 0.00001 0.00003 0.00021 58 4XY 0.00003 -0.00017 -0.00002 0.00028 0.00007 59 4XZ -0.00003 0.00008 0.00002 0.00001 -0.00004 60 4YZ 0.00020 -0.00002 0.00012 -0.00009 0.00018 61 5 C 1S -0.00084 -0.00046 0.00044 0.00005 -0.00001 62 2S 0.00068 0.00014 -0.00070 0.00038 0.00004 63 2PX 0.00196 -0.00232 0.00076 0.00001 0.00161 64 2PY 0.00122 -0.00074 -0.00097 0.00024 0.00042 65 2PZ -0.00053 0.00066 0.00146 0.00002 0.00128 66 3S 0.00050 0.00054 -0.00203 -0.00018 -0.00050 67 3PX 0.00168 -0.00204 0.00098 -0.00004 0.00116 68 3PY -0.00039 0.00018 -0.00099 -0.00026 0.00007 69 3PZ -0.00021 0.00145 0.00105 -0.00009 0.00136 70 4XX -0.00016 -0.00017 -0.00001 -0.00019 -0.00007 71 4YY 0.00037 -0.00008 0.00015 -0.00005 -0.00004 72 4ZZ -0.00008 0.00018 -0.00005 0.00012 0.00014 73 4XY -0.00015 0.00005 -0.00013 0.00004 -0.00005 74 4XZ -0.00005 0.00012 -0.00004 0.00005 0.00000 75 4YZ 0.00004 -0.00014 -0.00005 0.00000 -0.00025 76 6 C 1S -0.00184 0.00071 -0.00099 0.00063 -0.00075 77 2S 0.00439 -0.00116 0.00185 -0.00122 0.00145 78 2PX 0.00164 0.00388 -0.00106 0.00247 0.00231 79 2PY 0.00978 -0.00241 0.00569 -0.00138 0.00452 80 2PZ 0.00043 -0.00350 0.00147 -0.00179 -0.00111 81 3S 0.00672 -0.00419 0.00341 -0.00159 0.00237 82 3PX 0.00057 0.00209 0.00024 0.00231 0.00190 83 3PY 0.00498 -0.00247 0.00201 -0.00038 0.00139 84 3PZ -0.00061 -0.00267 0.00151 -0.00107 -0.00022 85 4XX -0.00015 0.00001 -0.00021 0.00001 -0.00008 86 4YY -0.00003 -0.00001 0.00031 0.00021 0.00023 87 4ZZ -0.00027 0.00015 -0.00018 0.00003 -0.00018 88 4XY -0.00013 0.00015 0.00009 0.00008 0.00029 89 4XZ -0.00009 -0.00001 -0.00005 0.00004 -0.00004 90 4YZ -0.00012 -0.00047 0.00023 0.00001 0.00003 91 7 H 1S -0.00534 0.00632 -0.00350 0.00387 -0.00211 92 2S -0.00515 0.00695 -0.00520 0.00176 -0.00393 93 8 H 1S 0.01671 -0.00993 0.00155 -0.00194 -0.00169 94 2S 0.01588 -0.00874 0.00135 -0.00309 -0.00104 95 9 H 1S -0.00287 0.00116 0.00001 0.00707 0.00220 96 2S -0.00199 -0.00220 0.00147 0.00575 0.00328 97 10 H 1S -0.00155 0.00123 0.00019 -0.00082 0.00098 98 2S -0.00210 0.00239 0.00041 -0.00093 0.00075 99 11 H 1S 0.00086 -0.00008 0.00059 -0.00022 -0.00041 100 2S 0.00150 -0.00030 0.00078 -0.00062 -0.00057 101 12 H 1S -0.00257 0.00002 -0.00085 0.00030 -0.00058 102 2S -0.00387 -0.00050 -0.00037 0.00117 -0.00017 103 13 C 1S 0.00012 -0.00031 0.00016 0.00082 -0.00007 104 2S -0.00134 -0.00051 -0.00064 -0.00233 0.00042 105 2PX 0.00229 0.00005 0.00256 0.00541 -0.00117 106 2PY -0.00230 0.00012 0.00041 -0.00262 -0.00042 107 2PZ -0.00079 -0.00138 -0.00185 -0.00200 0.00099 108 3S -0.00364 -0.00023 -0.00142 -0.00285 -0.00038 109 3PX 0.00184 -0.00015 0.00135 0.00369 -0.00132 110 3PY 0.00001 -0.00089 0.00003 -0.00203 0.00012 111 3PZ -0.00113 -0.00026 -0.00168 -0.00204 0.00000 112 4XX 0.00003 0.00011 0.00002 0.00022 0.00008 113 4YY 0.00015 -0.00007 -0.00001 -0.00004 -0.00001 114 4ZZ -0.00003 0.00003 0.00004 -0.00003 -0.00010 115 4XY -0.00013 -0.00018 -0.00002 -0.00006 -0.00001 116 4XZ -0.00003 -0.00010 0.00009 -0.00003 0.00000 117 4YZ 0.00015 0.00011 0.00003 0.00023 -0.00001 118 14 O 1S 0.00017 0.00016 -0.00005 -0.00011 0.00000 119 2S -0.00051 -0.00055 0.00017 0.00025 -0.00013 120 2PX 0.00016 0.00088 -0.00094 0.00017 0.00009 121 2PY 0.00000 0.00000 -0.00031 -0.00046 -0.00005 122 2PZ 0.00057 0.00045 -0.00014 -0.00175 -0.00007 123 3S 0.00010 0.00027 0.00047 0.00071 0.00070 124 3PX -0.00019 0.00035 -0.00083 -0.00011 -0.00009 125 3PY -0.00005 -0.00008 -0.00030 -0.00019 -0.00017 126 3PZ 0.00055 0.00015 0.00014 -0.00076 -0.00036 127 4XX -0.00011 -0.00007 -0.00008 -0.00020 -0.00001 128 4YY 0.00002 -0.00005 0.00002 0.00001 -0.00004 129 4ZZ -0.00003 -0.00002 0.00004 0.00007 -0.00006 130 4XY 0.00001 -0.00005 0.00003 0.00002 0.00002 131 4XZ -0.00003 0.00000 0.00003 -0.00005 0.00000 132 4YZ 0.00004 0.00000 0.00003 0.00017 0.00002 133 15 C 1S 0.00013 0.00003 0.00003 0.00016 0.00007 134 2S -0.00018 0.00009 0.00003 -0.00059 -0.00011 135 2PX 0.00006 -0.00010 -0.00012 0.00040 0.00005 136 2PY 0.00002 0.00026 -0.00017 -0.00029 -0.00002 137 2PZ 0.00037 0.00014 0.00013 0.00018 -0.00016 138 3S -0.00020 -0.00002 -0.00016 -0.00113 -0.00013 139 3PX -0.00012 0.00010 -0.00009 0.00002 0.00009 140 3PY -0.00008 0.00009 -0.00006 -0.00014 0.00004 141 3PZ 0.00041 0.00050 0.00026 0.00024 -0.00028 142 4XX 0.00002 0.00004 0.00004 0.00007 -0.00002 143 4YY 0.00002 0.00002 -0.00003 -0.00003 0.00000 144 4ZZ -0.00004 -0.00008 -0.00001 0.00000 0.00001 145 4XY 0.00002 0.00010 0.00001 0.00004 -0.00001 146 4XZ 0.00002 0.00001 0.00002 0.00002 0.00000 147 4YZ -0.00002 -0.00009 0.00000 -0.00009 0.00001 148 16 C 1S -0.00011 0.00057 0.00027 0.00026 -0.00015 149 2S 0.00040 -0.00090 -0.00041 -0.00034 0.00011 150 2PX 0.00097 0.00319 0.00142 0.00302 -0.00055 151 2PY 0.00126 0.00002 -0.00056 0.00109 0.00046 152 2PZ -0.00060 -0.00255 -0.00099 -0.00228 0.00052 153 3S 0.00159 -0.00306 -0.00029 -0.00172 0.00055 154 3PX 0.00070 0.00203 0.00087 0.00155 -0.00013 155 3PY 0.00134 0.00063 0.00000 0.00055 0.00041 156 3PZ -0.00045 -0.00256 -0.00032 -0.00176 0.00045 157 4XX -0.00003 -0.00003 0.00001 -0.00002 0.00004 158 4YY 0.00000 -0.00004 -0.00001 -0.00003 0.00001 159 4ZZ 0.00000 0.00012 0.00007 0.00008 -0.00007 160 4XY 0.00013 -0.00002 0.00010 0.00023 -0.00004 161 4XZ -0.00001 0.00009 0.00005 -0.00002 0.00000 162 4YZ -0.00009 -0.00009 -0.00009 -0.00015 0.00003 163 17 H 1S 0.00009 0.00020 0.00012 0.00031 -0.00004 164 2S 0.00042 0.00041 0.00035 0.00087 -0.00012 165 18 H 1S -0.00012 -0.00023 0.00000 -0.00017 0.00002 166 2S -0.00042 -0.00084 -0.00028 -0.00005 0.00029 167 19 O 1S -0.00013 -0.00024 -0.00001 -0.00001 0.00001 168 2S 0.00025 0.00047 0.00007 -0.00013 0.00003 169 2PX -0.00074 -0.00252 -0.00087 -0.00149 0.00036 170 2PY -0.00051 0.00016 0.00024 -0.00050 0.00001 171 2PZ 0.00126 0.00186 0.00054 0.00179 -0.00037 172 3S 0.00029 0.00151 -0.00019 0.00050 -0.00001 173 3PX -0.00057 -0.00228 -0.00059 -0.00134 0.00031 174 3PY -0.00046 0.00020 0.00018 -0.00030 -0.00001 175 3PZ 0.00102 0.00155 0.00056 0.00155 -0.00033 176 4XX -0.00002 -0.00012 -0.00002 -0.00009 0.00000 177 4YY -0.00002 -0.00004 0.00003 -0.00004 0.00001 178 4ZZ -0.00001 0.00003 0.00002 0.00003 -0.00001 179 4XY -0.00005 -0.00008 -0.00001 -0.00007 0.00001 180 4XZ 0.00001 0.00002 0.00000 0.00001 0.00000 181 4YZ 0.00000 0.00004 0.00001 -0.00002 -0.00002 182 20 H 1S -0.00100 -0.00013 0.00010 0.00069 0.00105 183 2S -0.00204 -0.00038 -0.00006 0.00099 0.00117 184 21 H 1S -0.00242 0.00811 0.00106 -0.00401 0.00144 185 2S -0.00166 0.00535 0.00102 -0.00503 0.00280 186 22 H 1S -0.00130 0.00016 0.00041 -0.00177 -0.00041 187 2S -0.00061 0.00053 0.00025 -0.00071 -0.00067 188 23 H 1S -0.00023 0.00048 0.00024 0.00001 -0.00028 189 2S -0.00023 0.00102 0.00025 0.00013 -0.00010 31 32 33 34 35 31 3 C 1S 2.05092 32 2S -0.05341 0.30682 33 2PX -0.00089 0.00094 0.41187 34 2PY -0.00199 0.00122 0.00499 0.38124 35 2PZ -0.00339 0.00249 -0.00313 0.00574 0.38896 36 3S -0.18586 0.27976 -0.00647 -0.00793 -0.02478 37 3PX -0.00226 0.00385 0.18595 0.00355 0.00070 38 3PY 0.00044 0.00253 -0.00076 0.17352 0.00966 39 3PZ -0.00163 0.00937 0.00744 0.00608 0.17988 40 4XX -0.01787 0.00019 0.01072 0.01029 0.01116 41 4YY -0.01551 -0.00514 0.00056 -0.01508 -0.00103 42 4ZZ -0.01630 -0.00351 -0.01052 0.00819 -0.00580 43 4XY -0.00055 0.00106 0.01581 0.00030 -0.00039 44 4XZ 0.00050 -0.00110 0.01495 0.00054 -0.01186 45 4YZ -0.00140 0.00268 0.00004 0.00068 0.01284 46 4 C 1S 0.01015 -0.01941 0.00026 0.06234 0.00369 47 2S -0.01941 0.03034 -0.00112 -0.12841 -0.00769 48 2PX 0.00027 -0.00113 -0.00074 -0.00196 0.00493 49 2PY -0.06234 0.12842 0.00198 -0.31488 -0.00216 50 2PZ 0.00367 -0.00766 0.00493 0.00207 0.00695 51 3S 0.00627 0.00956 0.00446 -0.12580 -0.00426 52 3PX 0.00051 -0.00149 -0.00514 -0.00284 -0.00110 53 3PY -0.01397 0.04158 0.00014 -0.14639 0.01477 54 3PZ 0.00321 -0.00962 -0.00073 -0.00210 -0.00676 55 4XX 0.00206 -0.00506 -0.00024 0.00708 0.00044 56 4YY -0.00682 0.01180 -0.00037 -0.00827 0.00046 57 4ZZ 0.00208 -0.00477 0.00063 0.00813 0.00082 58 4XY 0.00001 -0.00002 0.01155 0.00033 -0.00029 59 4XZ -0.00011 0.00018 -0.00063 0.00060 0.00059 60 4YZ -0.00032 0.00030 -0.00043 0.00007 0.01048 61 5 C 1S -0.00202 0.00459 -0.00180 -0.01024 -0.00337 62 2S 0.00420 -0.00918 0.00337 0.02611 0.01375 63 2PX 0.00310 -0.00431 0.00565 0.00236 0.00369 64 2PY 0.00914 -0.01813 0.00361 0.03528 0.00755 65 2PZ 0.00490 -0.01663 0.00160 0.03068 0.02388 66 3S 0.00385 -0.00945 0.01294 0.02809 -0.00622 67 3PX 0.00368 -0.00480 -0.00201 0.00941 0.01452 68 3PY 0.00396 -0.00899 0.00016 0.01240 -0.02514 69 3PZ 0.00182 -0.00699 -0.00415 0.02231 0.02493 70 4XX 0.00030 -0.00104 0.00016 0.00101 0.00235 71 4YY -0.00148 0.00319 -0.00054 -0.00818 -0.00101 72 4ZZ 0.00048 -0.00116 0.00018 0.00392 0.00006 73 4XY -0.00034 0.00074 0.00001 -0.00174 -0.00056 74 4XZ 0.00008 -0.00026 -0.00082 0.00099 -0.00056 75 4YZ -0.00110 0.00199 -0.00032 -0.00724 -0.00107 76 6 C 1S -0.00267 0.00479 -0.00207 -0.00390 -0.00787 77 2S 0.00503 -0.00883 0.00444 0.00856 0.01255 78 2PX 0.00128 0.00214 -0.00674 0.02848 -0.01132 79 2PY 0.00375 -0.00681 0.00763 -0.01162 0.02367 80 2PZ 0.00577 -0.01509 0.00881 0.00381 0.02037 81 3S 0.01091 -0.02105 0.01311 0.01905 0.07872 82 3PX 0.00010 0.00217 -0.00580 0.01993 0.00222 83 3PY 0.00349 -0.00597 0.01726 -0.00709 0.02448 84 3PZ 0.00343 -0.00990 0.00098 -0.00331 0.03398 85 4XX 0.00000 0.00002 0.00032 0.00082 -0.00066 86 4YY -0.00020 0.00036 0.00065 -0.00190 0.00059 87 4ZZ -0.00037 0.00057 -0.00085 0.00047 -0.00074 88 4XY 0.00004 -0.00040 -0.00037 0.00034 0.00159 89 4XZ 0.00009 -0.00017 -0.00006 0.00073 0.00000 90 4YZ 0.00021 -0.00066 0.00122 -0.00083 0.00019 91 7 H 1S -0.00710 0.01561 -0.01137 0.01107 -0.03375 92 2S -0.00909 0.02150 -0.02681 0.01594 -0.06649 93 8 H 1S 0.01166 -0.02374 0.00668 -0.03133 0.03239 94 2S 0.01409 -0.02635 0.01507 -0.05917 0.06668 95 9 H 1S -0.05307 0.10305 0.24406 0.09284 0.06751 96 2S -0.00470 0.02007 0.21324 0.07584 0.05576 97 10 H 1S 0.00761 -0.01999 -0.02272 0.02939 -0.00277 98 2S 0.00792 -0.01755 -0.04408 0.05181 -0.00221 99 11 H 1S -0.00717 0.01458 -0.00151 -0.03618 -0.00435 100 2S -0.00907 0.01876 -0.00485 -0.06045 -0.01995 101 12 H 1S -0.00090 0.00147 0.00009 -0.00103 -0.00298 102 2S -0.00047 -0.00004 0.00382 -0.00098 0.00410 103 13 C 1S -0.00160 0.00237 0.00275 -0.00037 -0.00219 104 2S 0.00232 -0.00724 -0.00838 -0.00112 0.01167 105 2PX -0.00601 0.01600 0.01449 -0.00147 -0.01969 106 2PY 0.00138 -0.00410 -0.00285 0.00184 0.00129 107 2PZ 0.00522 -0.01807 -0.01389 -0.00170 0.01865 108 3S 0.00606 -0.00124 -0.00167 0.00814 -0.01872 109 3PX -0.00470 0.01725 0.02393 -0.00042 -0.03174 110 3PY 0.00098 -0.01047 -0.00749 -0.00132 0.02065 111 3PZ 0.00664 -0.00698 -0.00779 0.00014 0.00120 112 4XX -0.00063 0.00056 0.00092 -0.00003 -0.00036 113 4YY 0.00003 -0.00028 -0.00017 -0.00039 0.00086 114 4ZZ -0.00062 0.00051 0.00050 -0.00048 -0.00154 115 4XY 0.00037 -0.00055 0.00007 0.00037 0.00068 116 4XZ 0.00066 -0.00101 -0.00114 -0.00007 0.00209 117 4YZ -0.00023 0.00046 -0.00049 -0.00025 -0.00104 118 14 O 1S -0.00055 0.00098 0.00448 0.00124 -0.00164 119 2S 0.00228 -0.00251 -0.00961 -0.00340 0.00099 120 2PX -0.00379 0.01216 0.01821 0.00614 -0.00593 121 2PY 0.00114 0.00118 -0.00505 -0.00451 -0.00074 122 2PZ 0.00311 -0.00876 -0.02211 -0.00844 -0.00282 123 3S -0.00116 -0.00487 -0.02701 -0.00435 0.01800 124 3PX -0.00096 0.00699 0.01208 0.00447 -0.00653 125 3PY 0.00086 0.00248 0.00199 -0.00334 -0.00534 126 3PZ 0.00116 -0.00346 -0.01266 -0.00584 -0.00685 127 4XX 0.00046 -0.00072 -0.00018 -0.00039 0.00000 128 4YY 0.00040 -0.00042 -0.00023 0.00003 -0.00064 129 4ZZ 0.00021 0.00056 0.00142 0.00010 -0.00159 130 4XY 0.00008 -0.00060 -0.00078 -0.00045 0.00066 131 4XZ 0.00030 -0.00048 -0.00179 -0.00033 0.00045 132 4YZ -0.00031 0.00067 0.00146 0.00046 0.00005 133 15 C 1S -0.00065 0.00137 0.00329 0.00005 0.00042 134 2S 0.00156 -0.00373 -0.00907 0.00032 -0.00083 135 2PX -0.00190 0.00417 0.00787 -0.00096 0.00238 136 2PY -0.00001 -0.00041 -0.00185 0.00005 -0.00246 137 2PZ 0.00281 -0.00423 -0.01835 -0.00433 -0.00496 138 3S 0.00356 -0.00478 -0.01119 -0.00019 -0.00241 139 3PX 0.00052 -0.00167 -0.00734 0.00476 0.00093 140 3PY -0.00086 0.00110 0.00496 0.00071 -0.00067 141 3PZ 0.00189 -0.00207 -0.01920 -0.00415 -0.00710 142 4XX -0.00032 0.00025 0.00064 -0.00036 0.00001 143 4YY -0.00006 0.00027 0.00022 -0.00026 -0.00012 144 4ZZ 0.00026 -0.00041 -0.00038 0.00035 -0.00005 145 4XY -0.00015 0.00060 0.00009 0.00014 -0.00029 146 4XZ 0.00001 -0.00004 -0.00050 -0.00006 0.00002 147 4YZ 0.00031 -0.00062 -0.00027 -0.00019 0.00046 148 16 C 1S -0.00135 0.00331 0.00010 -0.00131 -0.00447 149 2S 0.00251 -0.00446 -0.00034 0.00181 0.00621 150 2PX -0.00749 0.01643 -0.00554 -0.00835 -0.02317 151 2PY -0.00026 0.00226 -0.00294 -0.00295 0.00041 152 2PZ 0.00676 -0.01383 0.00340 0.00670 0.01780 153 3S 0.00525 -0.02179 -0.00053 0.00379 0.04389 154 3PX -0.00501 0.00780 -0.01195 -0.01242 -0.01016 155 3PY -0.00098 -0.00160 -0.00919 -0.00419 0.00923 156 3PZ 0.00473 -0.01516 0.00205 0.00047 0.02307 157 4XX 0.00003 0.00002 -0.00010 0.00020 -0.00037 158 4YY -0.00008 0.00002 -0.00039 -0.00053 0.00052 159 4ZZ -0.00049 0.00104 0.00049 -0.00051 -0.00123 160 4XY -0.00020 0.00069 0.00069 0.00008 -0.00080 161 4XZ 0.00000 -0.00019 -0.00064 -0.00001 0.00047 162 4YZ 0.00011 -0.00086 -0.00045 -0.00028 0.00108 163 17 H 1S -0.00148 0.00243 0.00374 -0.00104 0.00045 164 2S -0.00291 0.00564 0.00935 -0.00523 -0.00186 165 18 H 1S 0.00270 -0.00473 -0.00805 0.00102 -0.00060 166 2S -0.00010 -0.00130 0.01067 0.00202 0.00672 167 19 O 1S 0.00035 -0.00090 -0.00001 0.00021 0.00074 168 2S -0.00036 0.00121 0.00059 -0.00149 -0.00001 169 2PX 0.00404 -0.00894 0.00208 -0.00085 0.00993 170 2PY 0.00108 -0.00204 -0.00350 0.00314 0.00004 171 2PZ -0.00486 0.01105 0.00420 -0.00132 -0.00777 172 3S -0.00302 0.00783 -0.00133 0.00365 -0.01229 173 3PX 0.00391 -0.00955 0.00211 -0.00074 0.01197 174 3PY 0.00036 -0.00119 -0.00402 0.00360 -0.00175 175 3PZ -0.00479 0.00936 0.00351 -0.00254 -0.00680 176 4XX 0.00039 -0.00038 0.00086 -0.00007 0.00102 177 4YY 0.00020 -0.00039 -0.00015 -0.00010 0.00069 178 4ZZ 0.00013 0.00006 -0.00014 -0.00042 -0.00005 179 4XY 0.00012 -0.00032 0.00017 0.00007 0.00049 180 4XZ -0.00004 0.00003 -0.00017 -0.00007 -0.00004 181 4YZ -0.00012 0.00006 -0.00007 -0.00019 0.00002 182 20 H 1S 0.00840 -0.02009 0.01884 0.02735 -0.01614 183 2S 0.01010 -0.02085 0.03500 0.05263 -0.02229 184 21 H 1S -0.05287 0.10195 -0.18024 0.08043 0.17920 185 2S -0.00700 0.02105 -0.16493 0.06619 0.15935 186 22 H 1S 0.00045 0.00109 0.00161 0.00109 -0.00103 187 2S 0.00048 0.00573 0.00505 -0.00098 -0.00802 188 23 H 1S -0.00132 0.00099 -0.00111 -0.00171 -0.00124 189 2S -0.00232 0.00125 -0.00626 -0.00757 -0.00091 36 37 38 39 40 36 3S 0.30210 37 3PX -0.00137 0.08585 38 3PY -0.00729 0.00186 0.08588 39 3PZ -0.00700 0.00654 0.00766 0.09074 40 4XX -0.00035 0.00492 0.00456 0.00529 0.00113 41 4YY -0.00513 0.00020 -0.00601 -0.00086 -0.00033 42 4ZZ -0.00015 -0.00477 0.00318 -0.00238 -0.00017 43 4XY 0.00117 0.00724 -0.00004 0.00023 0.00040 44 4XZ -0.00235 0.00665 -0.00025 -0.00508 0.00023 45 4YZ 0.00250 0.00017 0.00091 0.00612 0.00042 46 4 C 1S 0.00627 0.00051 0.01397 0.00321 0.00206 47 2S 0.00956 -0.00149 -0.04158 -0.00963 -0.00506 48 2PX 0.00446 -0.00514 -0.00013 -0.00074 -0.00023 49 2PY 0.12580 0.00286 -0.14639 0.00206 -0.00708 50 2PZ -0.00423 -0.00109 -0.01481 -0.00677 0.00043 51 3S -0.03255 0.00253 -0.03364 -0.00816 -0.00421 52 3PX 0.00252 -0.00533 -0.00180 -0.00276 -0.00048 53 3PY 0.03364 0.00181 -0.06475 0.00905 -0.00296 54 3PZ -0.00815 -0.00275 -0.00907 -0.00863 -0.00045 55 4XX -0.00420 -0.00048 0.00296 -0.00045 0.00013 56 4YY 0.01297 -0.00018 -0.00461 0.00072 -0.00014 57 4ZZ -0.00656 0.00073 0.00444 0.00072 0.00028 58 4XY 0.00016 0.00535 -0.00021 0.00024 0.00031 59 4XZ 0.00163 -0.00063 0.00052 0.00015 -0.00004 60 4YZ 0.00039 -0.00012 0.00009 0.00526 0.00030 61 5 C 1S -0.00082 0.00044 -0.00685 0.00016 -0.00043 62 2S -0.01381 0.00408 0.01928 0.00716 0.00105 63 2PX -0.04770 0.00897 0.00923 0.01327 0.00160 64 2PY -0.07649 0.00859 0.05187 0.00333 0.00085 65 2PZ 0.00218 -0.00185 0.01857 0.01589 -0.00003 66 3S -0.01020 0.00772 0.01837 -0.00339 0.00059 67 3PX -0.04237 0.00407 0.01155 0.01372 0.00185 68 3PY -0.02365 0.00201 0.01565 -0.01143 -0.00079 69 3PZ 0.01384 -0.00494 0.00894 0.01345 -0.00002 70 4XX -0.00084 0.00010 0.00038 0.00078 0.00012 71 4YY 0.00541 -0.00059 -0.00566 0.00002 -0.00023 72 4ZZ -0.00338 0.00022 0.00313 -0.00023 0.00006 73 4XY 0.00077 0.00018 -0.00046 -0.00014 -0.00006 74 4XZ -0.00033 -0.00058 0.00110 -0.00060 -0.00005 75 4YZ 0.00250 -0.00018 -0.00318 -0.00055 -0.00021 76 6 C 1S 0.01324 -0.00105 -0.00348 -0.00485 -0.00029 77 2S -0.02297 0.00171 0.00737 0.00736 0.00034 78 2PX -0.02357 -0.00051 0.02761 -0.00613 -0.00037 79 2PY -0.03017 0.00183 -0.00892 0.02432 -0.00022 80 2PZ -0.00945 0.00166 -0.00192 0.00452 0.00077 81 3S -0.06109 0.00820 0.01690 0.04098 0.00343 82 3PX -0.01894 -0.00075 0.01748 0.00212 0.00067 83 3PY -0.02945 0.00912 -0.00055 0.01698 0.00109 84 3PZ -0.00435 -0.00002 -0.00540 0.01556 0.00115 85 4XX -0.00152 0.00052 0.00108 -0.00033 0.00006 86 4YY 0.00205 -0.00004 -0.00223 0.00057 0.00000 87 4ZZ 0.00193 -0.00043 0.00055 -0.00068 -0.00005 88 4XY 0.00050 -0.00021 0.00015 0.00145 -0.00006 89 4XZ -0.00079 0.00014 0.00102 -0.00003 0.00003 90 4YZ -0.00335 0.00073 -0.00066 0.00060 0.00020 91 7 H 1S 0.04176 -0.00462 0.01304 -0.02990 -0.00119 92 2S 0.05147 -0.01220 0.01571 -0.04621 -0.00276 93 8 H 1S -0.06426 0.00613 -0.00754 0.02545 -0.00156 94 2S -0.06879 0.00961 -0.01769 0.03802 -0.00043 95 9 H 1S 0.08095 0.11187 0.04140 0.03914 0.01149 96 2S -0.00680 0.09432 0.02999 0.02565 0.01043 97 10 H 1S -0.01940 -0.01473 0.01812 -0.00845 -0.00094 98 2S -0.00378 -0.02329 0.02464 -0.00581 -0.00070 99 11 H 1S 0.04598 -0.00396 -0.03698 -0.00020 -0.00081 100 2S 0.05206 -0.00610 -0.04915 -0.00659 -0.00228 101 12 H 1S 0.00354 0.00130 0.00023 -0.00070 0.00044 102 2S -0.00168 0.00383 0.00067 0.00421 0.00114 103 13 C 1S 0.00255 0.00447 -0.00152 -0.00310 -0.00041 104 2S -0.00749 -0.00430 -0.00069 0.00600 0.00046 105 2PX 0.01137 0.01166 0.00822 -0.00175 0.00106 106 2PY 0.00174 -0.00524 0.00237 -0.00097 0.00006 107 2PZ -0.00090 0.00415 -0.00976 0.00681 -0.00134 108 3S 0.00820 -0.00074 0.00022 -0.00599 0.00009 109 3PX 0.00615 0.01150 0.00630 -0.01038 0.00074 110 3PY -0.01295 -0.00524 -0.00020 0.00827 0.00012 111 3PZ 0.00618 -0.00038 -0.00481 -0.00124 -0.00114 112 4XX 0.00264 0.00163 0.00103 0.00221 -0.00015 113 4YY -0.00173 -0.00055 -0.00030 -0.00003 0.00004 114 4ZZ 0.00032 -0.00056 -0.00096 -0.00250 0.00005 115 4XY -0.00252 0.00074 0.00040 0.00078 0.00009 116 4XZ -0.00127 -0.00019 -0.00011 0.00054 0.00012 117 4YZ 0.00140 -0.00029 -0.00086 -0.00121 -0.00013 118 14 O 1S 0.00837 0.00231 0.00265 0.00095 0.00014 119 2S -0.01855 -0.00415 -0.00504 -0.00118 -0.00029 120 2PX 0.01248 0.01345 0.01906 0.02776 -0.00093 121 2PY -0.03111 -0.01809 -0.00894 -0.01363 -0.00024 122 2PZ -0.02061 -0.03042 -0.03007 -0.04821 0.00025 123 3S -0.02749 -0.01420 -0.00734 0.00314 -0.00059 124 3PX 0.00874 0.01045 0.01350 0.01961 -0.00078 125 3PY -0.01881 -0.00958 -0.00611 -0.01099 -0.00013 126 3PZ -0.01343 -0.01983 -0.02006 -0.03601 0.00032 127 4XX -0.00045 -0.00034 -0.00079 -0.00089 -0.00003 128 4YY 0.00149 0.00081 0.00051 0.00054 -0.00002 129 4ZZ -0.00030 0.00048 0.00047 -0.00017 0.00005 130 4XY -0.00034 -0.00029 -0.00084 -0.00070 0.00005 131 4XZ -0.00070 -0.00073 0.00010 0.00054 -0.00002 132 4YZ 0.00141 0.00148 0.00138 0.00194 0.00000 133 15 C 1S 0.00215 0.00092 0.00061 -0.00086 -0.00002 134 2S -0.00212 -0.00275 -0.00100 0.00004 -0.00013 135 2PX 0.00324 0.00254 0.00028 -0.00164 -0.00008 136 2PY 0.00569 -0.00021 -0.00102 -0.00025 -0.00010 137 2PZ -0.01753 -0.00968 -0.00548 0.00069 -0.00011 138 3S -0.00295 -0.00371 -0.00052 0.00040 -0.00031 139 3PX -0.00222 -0.00299 0.00296 0.00092 -0.00023 140 3PY 0.00041 -0.00015 -0.00061 -0.00171 0.00022 141 3PZ -0.00572 -0.01056 -0.00459 -0.00645 -0.00043 142 4XX 0.00118 -0.00002 -0.00041 -0.00132 0.00004 143 4YY -0.00037 -0.00006 -0.00036 -0.00059 -0.00002 144 4ZZ -0.00068 0.00030 0.00068 0.00184 -0.00001 145 4XY 0.00087 0.00002 0.00095 0.00079 -0.00006 146 4XZ 0.00079 -0.00006 0.00017 0.00014 -0.00002 147 4YZ -0.00189 -0.00109 -0.00100 -0.00153 0.00005 148 16 C 1S 0.00485 -0.00199 0.00085 -0.00127 -0.00017 149 2S -0.00904 0.00102 -0.00100 0.00195 0.00043 150 2PX 0.04193 -0.01623 -0.00750 -0.01814 -0.00142 151 2PY -0.00884 -0.00246 -0.00146 0.00012 0.00011 152 2PZ -0.03614 0.00601 0.01048 0.01476 0.00137 153 3S -0.04201 0.00318 0.00213 0.02033 0.00139 154 3PX 0.02840 -0.01262 -0.00969 -0.00942 -0.00147 155 3PY -0.00534 -0.00702 -0.00077 0.00151 -0.00037 156 3PZ -0.03139 0.00618 0.00395 0.01531 0.00129 157 4XX -0.00109 -0.00048 0.00025 -0.00021 0.00000 158 4YY 0.00032 0.00016 -0.00050 0.00046 0.00000 159 4ZZ 0.00204 0.00013 -0.00008 -0.00077 -0.00004 160 4XY 0.00000 0.00060 0.00040 -0.00015 0.00007 161 4XZ 0.00124 -0.00079 -0.00020 -0.00018 -0.00003 162 4YZ 0.00020 0.00027 -0.00075 0.00029 -0.00007 163 17 H 1S 0.00559 0.00051 -0.00113 -0.00515 0.00001 164 2S 0.00914 0.00123 -0.00426 -0.01008 0.00014 165 18 H 1S -0.01212 -0.00232 -0.00034 0.00659 0.00011 166 2S -0.00945 0.00804 0.00285 0.01557 0.00053 167 19 O 1S -0.00140 0.00066 0.00032 0.00120 0.00004 168 2S 0.00520 -0.00116 -0.00170 -0.00313 -0.00018 169 2PX -0.02580 0.00457 -0.00796 0.00206 0.00035 170 2PY -0.00375 -0.01138 0.00147 -0.00662 -0.00002 171 2PZ 0.01644 0.00984 0.00790 0.00189 -0.00015 172 3S 0.00764 -0.00274 0.00055 -0.01042 -0.00035 173 3PX -0.02368 0.00319 -0.00614 0.00362 0.00055 174 3PY -0.00329 -0.00886 0.00121 -0.00583 0.00000 175 3PZ 0.01703 0.00549 0.00421 -0.00022 -0.00026 176 4XX -0.00092 0.00070 0.00017 0.00061 0.00007 177 4YY -0.00005 -0.00042 -0.00011 0.00010 0.00001 178 4ZZ 0.00064 -0.00017 -0.00046 0.00006 -0.00005 179 4XY -0.00066 0.00030 -0.00028 0.00015 0.00001 180 4XZ 0.00026 -0.00021 -0.00025 -0.00019 -0.00001 181 4YZ 0.00011 0.00039 0.00016 0.00026 0.00000 182 20 H 1S -0.03336 0.00937 0.01272 -0.01224 0.00038 183 2S -0.03230 0.01823 0.02122 -0.01141 0.00188 184 21 H 1S 0.09108 -0.07907 0.04178 0.08296 0.00243 185 2S 0.01901 -0.07321 0.03399 0.07122 0.00131 186 22 H 1S -0.00628 -0.00653 0.00366 -0.00270 0.00098 187 2S -0.00089 -0.00371 0.00288 -0.00756 0.00068 188 23 H 1S 0.01425 0.00070 -0.00473 -0.00306 -0.00050 189 2S 0.01825 -0.00230 -0.00674 -0.00338 -0.00091 41 42 43 44 45 41 4YY 0.00121 42 4ZZ -0.00033 0.00105 43 4XY -0.00003 -0.00038 0.00096 44 4XZ 0.00007 -0.00033 0.00054 0.00130 45 4YZ -0.00025 -0.00018 0.00004 -0.00042 0.00091 46 4 C 1S -0.00682 0.00208 -0.00001 -0.00011 0.00032 47 2S 0.01180 -0.00477 0.00002 0.00018 -0.00030 48 2PX -0.00037 0.00063 -0.01155 -0.00064 0.00043 49 2PY 0.00827 -0.00813 0.00033 -0.00060 0.00008 50 2PZ 0.00046 0.00082 0.00029 0.00059 -0.01048 51 3S 0.01297 -0.00656 -0.00016 0.00163 -0.00038 52 3PX -0.00018 0.00073 -0.00535 -0.00063 0.00012 53 3PY 0.00461 -0.00444 -0.00021 -0.00052 0.00009 54 3PZ 0.00072 0.00072 -0.00024 0.00016 -0.00526 55 4XX -0.00014 0.00028 -0.00031 -0.00004 -0.00030 56 4YY -0.00006 -0.00018 0.00002 -0.00013 0.00010 57 4ZZ -0.00018 0.00010 0.00028 0.00008 0.00016 58 4XY -0.00002 -0.00028 0.00089 0.00042 -0.00003 59 4XZ -0.00013 0.00008 -0.00042 -0.00011 0.00036 60 4YZ -0.00010 -0.00016 -0.00003 -0.00036 0.00065 61 5 C 1S -0.00057 0.00018 -0.00034 -0.00007 -0.00151 62 2S 0.00088 -0.00091 0.00060 0.00013 0.00341 63 2PX 0.00257 -0.00295 -0.00054 0.00227 0.00257 64 2PY 0.00192 -0.00150 0.00070 0.00068 0.00453 65 2PZ 0.00052 0.00092 0.00295 -0.00231 0.00723 66 3S 0.00051 -0.00049 0.00114 -0.00027 0.00211 67 3PX 0.00138 -0.00226 -0.00075 0.00192 0.00124 68 3PY 0.00036 0.00067 0.00018 0.00021 0.00038 69 3PZ -0.00118 0.00161 0.00084 -0.00237 0.00342 70 4XX -0.00021 0.00010 -0.00020 -0.00014 -0.00004 71 4YY 0.00009 -0.00009 -0.00003 -0.00003 -0.00020 72 4ZZ 0.00022 -0.00005 0.00017 0.00008 0.00002 73 4XY 0.00008 -0.00001 -0.00002 -0.00002 0.00012 74 4XZ 0.00008 0.00003 -0.00028 0.00001 0.00009 75 4YZ 0.00034 -0.00021 0.00007 0.00004 0.00018 76 6 C 1S -0.00010 0.00024 0.00007 0.00019 0.00020 77 2S 0.00024 -0.00041 -0.00035 -0.00044 -0.00081 78 2PX 0.00061 0.00010 -0.00023 0.00102 -0.00128 79 2PY 0.00192 -0.00197 0.00100 -0.00088 0.00015 80 2PZ -0.00177 0.00059 -0.00059 -0.00064 -0.00008 81 3S 0.00111 -0.00283 -0.00078 -0.00001 0.00127 82 3PX 0.00062 -0.00075 -0.00013 0.00164 0.00001 83 3PY 0.00183 -0.00254 0.00123 0.00060 0.00086 84 3PZ -0.00139 0.00033 -0.00081 -0.00082 0.00131 85 4XX 0.00004 -0.00006 -0.00002 0.00009 0.00003 86 4YY -0.00008 0.00004 0.00002 0.00005 -0.00008 87 4ZZ 0.00000 0.00005 0.00008 -0.00005 0.00019 88 4XY -0.00012 0.00026 0.00008 -0.00014 0.00027 89 4XZ 0.00001 -0.00002 0.00002 0.00004 0.00018 90 4YZ 0.00000 -0.00013 0.00000 0.00038 0.00006 91 7 H 1S 0.00007 -0.00017 -0.00039 -0.00149 -0.00084 92 2S -0.00017 0.00099 -0.00092 -0.00196 -0.00199 93 8 H 1S 0.00650 -0.00183 -0.00121 -0.00093 -0.00478 94 2S 0.00718 -0.00457 -0.00058 -0.00158 -0.00206 95 9 H 1S -0.00486 -0.00663 0.01023 0.00742 0.00360 96 2S -0.00282 -0.00647 0.00917 0.00856 0.00244 97 10 H 1S 0.00174 0.00161 -0.00762 -0.00092 -0.00178 98 2S -0.00149 0.00325 -0.00741 -0.00198 -0.00143 99 11 H 1S -0.00011 -0.00001 -0.00030 -0.00020 -0.00198 100 2S 0.00023 0.00044 -0.00036 -0.00044 -0.00306 101 12 H 1S -0.00008 0.00018 0.00020 0.00062 0.00110 102 2S -0.00033 -0.00007 0.00069 0.00148 0.00253 103 13 C 1S 0.00002 -0.00071 0.00011 0.00080 -0.00005 104 2S -0.00044 0.00039 -0.00043 -0.00161 0.00026 105 2PX 0.00241 -0.00460 0.00026 0.00571 -0.00064 106 2PY -0.00090 0.00118 0.00006 -0.00109 0.00024 107 2PZ -0.00246 0.00367 -0.00017 -0.00603 0.00063 108 3S -0.00193 0.00176 -0.00003 -0.00100 -0.00124 109 3PX 0.00187 -0.00343 0.00086 0.00534 -0.00131 110 3PY -0.00015 0.00076 -0.00052 -0.00189 0.00081 111 3PZ -0.00175 0.00268 -0.00002 -0.00366 -0.00021 112 4XX -0.00006 0.00024 0.00009 -0.00014 0.00006 113 4YY 0.00009 -0.00008 -0.00002 0.00004 -0.00002 114 4ZZ 0.00005 -0.00017 0.00000 0.00017 -0.00005 115 4XY -0.00006 -0.00003 0.00001 -0.00001 0.00004 116 4XZ 0.00001 -0.00016 -0.00005 -0.00002 0.00003 117 4YZ 0.00004 0.00000 0.00000 -0.00001 -0.00004 118 14 O 1S -0.00007 0.00013 0.00014 0.00013 -0.00001 119 2S 0.00012 -0.00040 -0.00034 -0.00031 -0.00010 120 2PX -0.00022 0.00224 0.00076 0.00009 0.00011 121 2PY 0.00054 0.00010 -0.00014 0.00041 -0.00023 122 2PZ 0.00078 -0.00182 -0.00109 0.00039 -0.00069 123 3S 0.00044 -0.00016 -0.00080 -0.00116 0.00073 124 3PX -0.00045 0.00192 0.00051 -0.00035 -0.00011 125 3PY 0.00037 -0.00007 0.00004 0.00063 -0.00034 126 3PZ 0.00083 -0.00189 -0.00072 0.00109 -0.00072 127 4XX -0.00008 0.00010 -0.00001 -0.00016 -0.00002 128 4YY -0.00001 0.00000 -0.00003 0.00000 -0.00004 129 4ZZ 0.00006 -0.00010 0.00003 0.00024 -0.00005 130 4XY 0.00001 -0.00010 -0.00004 -0.00003 0.00002 131 4XZ 0.00002 0.00001 -0.00007 -0.00005 0.00001 132 4YZ 0.00001 0.00001 0.00006 0.00007 0.00002 133 15 C 1S 0.00007 -0.00007 0.00013 0.00031 -0.00004 134 2S -0.00026 0.00031 -0.00022 -0.00060 0.00002 135 2PX 0.00029 -0.00045 0.00040 0.00058 -0.00003 136 2PY 0.00006 0.00004 -0.00023 -0.00013 -0.00015 137 2PZ 0.00016 0.00025 -0.00062 -0.00055 -0.00015 138 3S -0.00036 0.00070 -0.00022 -0.00098 0.00006 139 3PX -0.00004 0.00033 0.00002 -0.00021 0.00001 140 3PY 0.00001 -0.00011 0.00030 0.00028 -0.00003 141 3PZ 0.00024 -0.00014 -0.00032 -0.00007 -0.00027 142 4XX 0.00000 -0.00014 0.00004 0.00008 -0.00003 143 4YY 0.00003 -0.00003 0.00002 0.00005 -0.00002 144 4ZZ -0.00002 0.00014 -0.00004 -0.00010 0.00005 145 4XY -0.00003 0.00009 0.00003 -0.00001 -0.00001 146 4XZ 0.00000 0.00001 0.00000 -0.00002 0.00000 147 4YZ 0.00004 -0.00005 -0.00003 0.00002 0.00002 148 16 C 1S 0.00005 0.00010 0.00010 0.00018 -0.00019 149 2S -0.00014 -0.00004 0.00004 -0.00024 -0.00007 150 2PX 0.00112 -0.00045 -0.00026 0.00165 -0.00050 151 2PY 0.00098 -0.00111 -0.00047 0.00062 -0.00021 152 2PZ -0.00090 0.00048 0.00017 -0.00135 0.00023 153 3S 0.00026 -0.00033 -0.00040 -0.00187 0.00164 154 3PX 0.00079 0.00014 -0.00082 0.00007 0.00037 155 3PY 0.00090 -0.00036 -0.00055 -0.00044 0.00061 156 3PZ -0.00035 -0.00008 -0.00005 -0.00093 0.00080 157 4XX 0.00006 0.00003 -0.00005 0.00004 0.00002 158 4YY -0.00001 -0.00001 -0.00002 -0.00006 -0.00002 159 4ZZ -0.00001 -0.00004 0.00004 0.00010 -0.00001 160 4XY 0.00012 -0.00024 0.00000 0.00029 -0.00005 161 4XZ -0.00006 0.00009 0.00003 -0.00008 -0.00005 162 4YZ -0.00013 0.00020 -0.00001 -0.00030 0.00005 163 17 H 1S 0.00012 -0.00060 0.00026 0.00048 -0.00011 164 2S 0.00038 -0.00132 0.00035 0.00118 -0.00027 165 18 H 1S -0.00020 0.00062 -0.00045 -0.00073 0.00012 166 2S -0.00023 0.00073 -0.00022 -0.00062 0.00042 167 19 O 1S -0.00004 -0.00007 -0.00020 -0.00011 0.00014 168 2S 0.00000 0.00014 0.00047 0.00016 -0.00015 169 2PX 0.00056 0.00002 -0.00080 -0.00059 0.00081 170 2PY -0.00024 0.00066 -0.00022 -0.00033 0.00016 171 2PZ -0.00030 -0.00126 0.00112 0.00133 -0.00077 172 3S 0.00020 -0.00016 0.00093 0.00111 -0.00109 173 3PX 0.00032 0.00000 -0.00060 -0.00060 0.00079 174 3PY -0.00020 0.00047 -0.00006 -0.00009 -0.00008 175 3PZ -0.00007 -0.00093 0.00079 0.00110 -0.00050 176 4XX -0.00005 -0.00002 0.00004 -0.00003 0.00003 177 4YY -0.00003 0.00003 0.00000 -0.00006 0.00005 178 4ZZ 0.00001 0.00004 -0.00004 -0.00004 0.00005 179 4XY 0.00001 0.00001 -0.00002 -0.00002 0.00005 180 4XZ -0.00001 0.00001 0.00005 -0.00001 -0.00001 181 4YZ -0.00005 0.00000 0.00005 -0.00002 -0.00001 182 20 H 1S 0.00276 -0.00025 0.00567 0.00208 -0.00549 183 2S -0.00031 0.00040 0.00580 0.00284 -0.00500 184 21 H 1S -0.00576 0.00363 -0.00695 -0.01312 0.00750 185 2S -0.00435 0.00446 -0.00698 -0.01252 0.00650 186 22 H 1S 0.00039 -0.00090 -0.00011 0.00130 -0.00010 187 2S 0.00064 -0.00135 0.00020 0.00175 -0.00041 188 23 H 1S -0.00037 0.00053 0.00014 -0.00044 0.00009 189 2S -0.00020 0.00066 -0.00005 -0.00083 0.00029 46 47 48 49 50 46 4 C 1S 2.05092 47 2S -0.05341 0.30682 48 2PX -0.00090 0.00094 0.41187 49 2PY 0.00199 -0.00122 -0.00499 0.38124 50 2PZ -0.00339 0.00249 -0.00314 -0.00574 0.38896 51 3S -0.18587 0.27976 -0.00646 0.00794 -0.02478 52 3PX -0.00226 0.00385 0.18596 -0.00356 0.00071 53 3PY -0.00044 -0.00253 0.00075 0.17352 -0.00966 54 3PZ -0.00163 0.00937 0.00745 -0.00608 0.17987 55 4XX -0.01787 0.00019 0.01073 -0.01029 0.01114 56 4YY -0.01551 -0.00514 0.00056 0.01508 -0.00102 57 4ZZ -0.01630 -0.00351 -0.01054 -0.00819 -0.00580 58 4XY 0.00056 -0.00106 -0.01582 0.00029 0.00039 59 4XZ 0.00050 -0.00110 0.01493 -0.00053 -0.01187 60 4YZ 0.00140 -0.00269 -0.00003 0.00069 -0.01284 61 5 C 1S 0.01252 -0.02336 0.01710 0.02348 0.06432 62 2S -0.02297 0.03914 -0.03377 -0.04865 -0.13740 63 2PX -0.02144 0.04301 0.00047 -0.02057 -0.10112 64 2PY -0.02955 0.05546 -0.02750 -0.03152 -0.12202 65 2PZ -0.05185 0.10797 -0.08306 -0.11036 -0.23453 66 3S -0.00158 0.01520 -0.03859 -0.03619 -0.11063 67 3PX -0.00447 0.01064 0.00010 -0.00743 -0.03886 68 3PY -0.00707 0.01663 -0.00297 -0.01297 -0.01882 69 3PZ -0.00574 0.02430 -0.01552 -0.05083 -0.09077 70 4XX 0.00165 -0.00383 0.00730 0.00064 0.00544 71 4YY 0.00169 -0.00346 0.00096 0.00950 0.00365 72 4ZZ -0.00512 0.00885 -0.00570 -0.00772 0.00068 73 4XY -0.00133 0.00249 0.00081 0.00065 -0.00406 74 4XZ -0.00200 0.00368 0.00911 -0.00272 -0.00359 75 4YZ -0.00340 0.00664 -0.00319 0.00439 -0.00853 76 6 C 1S -0.00300 0.00649 -0.00840 -0.00131 -0.01208 77 2S 0.00562 -0.01505 0.02187 0.00318 0.03132 78 2PX 0.00514 -0.01444 -0.00067 0.00228 0.04903 79 2PY -0.00155 0.00592 -0.01088 0.00421 -0.00703 80 2PZ 0.01145 -0.02805 0.03290 0.00688 0.02307 81 3S 0.00522 -0.00898 0.02769 -0.00917 0.00219 82 3PX 0.00086 0.00033 -0.00835 -0.00778 0.01027 83 3PY -0.00403 0.00849 -0.02937 0.00648 -0.03195 84 3PZ 0.00805 -0.01522 0.02849 0.00236 -0.00731 85 4XX -0.00046 0.00036 -0.00027 -0.00009 -0.00133 86 4YY 0.00081 -0.00158 0.00138 0.00124 0.00397 87 4ZZ -0.00156 0.00302 -0.00378 -0.00210 -0.00733 88 4XY -0.00079 0.00173 -0.00102 -0.00250 -0.00401 89 4XZ -0.00073 0.00157 -0.00129 -0.00115 -0.00608 90 4YZ -0.00027 0.00069 -0.00015 0.00024 -0.00074 91 7 H 1S -0.00090 0.00147 0.00009 0.00103 -0.00298 92 2S -0.00047 -0.00005 0.00382 0.00097 0.00410 93 8 H 1S -0.00717 0.01458 -0.00152 0.03618 -0.00434 94 2S -0.00907 0.01876 -0.00485 0.06045 -0.01993 95 9 H 1S 0.00761 -0.01999 -0.02272 -0.02939 -0.00278 96 2S 0.00792 -0.01756 -0.04406 -0.05181 -0.00224 97 10 H 1S -0.05306 0.10305 0.24409 -0.09284 0.06741 98 2S -0.00470 0.02007 0.21326 -0.07583 0.05567 99 11 H 1S 0.01166 -0.02374 0.00669 0.03132 0.03240 100 2S 0.01409 -0.02636 0.01510 0.05915 0.06669 101 12 H 1S -0.00710 0.01561 -0.01138 -0.01106 -0.03375 102 2S -0.00909 0.02150 -0.02683 -0.01591 -0.06649 103 13 C 1S -0.00135 0.00331 0.00010 0.00131 -0.00447 104 2S 0.00251 -0.00446 -0.00034 -0.00182 0.00621 105 2PX -0.00749 0.01643 -0.00554 0.00836 -0.02316 106 2PY 0.00026 -0.00225 0.00294 -0.00296 -0.00042 107 2PZ 0.00676 -0.01384 0.00340 -0.00671 0.01780 108 3S 0.00525 -0.02180 -0.00052 -0.00381 0.04389 109 3PX -0.00501 0.00780 -0.01195 0.01243 -0.01015 110 3PY 0.00098 0.00160 0.00919 -0.00418 -0.00924 111 3PZ 0.00473 -0.01516 0.00205 -0.00048 0.02307 112 4XX 0.00003 0.00002 -0.00010 -0.00020 -0.00037 113 4YY -0.00008 0.00002 -0.00039 0.00053 0.00052 114 4ZZ -0.00049 0.00104 0.00049 0.00051 -0.00123 115 4XY 0.00020 -0.00069 -0.00069 0.00008 0.00080 116 4XZ 0.00000 -0.00019 -0.00064 0.00001 0.00047 117 4YZ -0.00011 0.00086 0.00045 -0.00028 -0.00108 118 14 O 1S 0.00035 -0.00090 -0.00001 -0.00021 0.00074 119 2S -0.00036 0.00121 0.00059 0.00149 -0.00001 120 2PX 0.00404 -0.00894 0.00208 0.00085 0.00992 121 2PY -0.00108 0.00204 0.00350 0.00314 -0.00004 122 2PZ -0.00486 0.01105 0.00420 0.00132 -0.00776 123 3S -0.00302 0.00783 -0.00134 -0.00365 -0.01230 124 3PX 0.00391 -0.00956 0.00212 0.00073 0.01197 125 3PY -0.00036 0.00118 0.00403 0.00359 0.00176 126 3PZ -0.00479 0.00936 0.00351 0.00254 -0.00679 127 4XX 0.00039 -0.00038 0.00086 0.00007 0.00102 128 4YY 0.00020 -0.00039 -0.00015 0.00010 0.00069 129 4ZZ 0.00013 0.00006 -0.00014 0.00042 -0.00005 130 4XY -0.00012 0.00032 -0.00017 0.00007 -0.00049 131 4XZ -0.00004 0.00003 -0.00017 0.00007 -0.00004 132 4YZ 0.00012 -0.00006 0.00007 -0.00019 -0.00002 133 15 C 1S -0.00065 0.00137 0.00330 -0.00005 0.00042 134 2S 0.00156 -0.00373 -0.00908 -0.00032 -0.00083 135 2PX -0.00190 0.00417 0.00788 0.00096 0.00238 136 2PY 0.00001 0.00041 0.00186 0.00005 0.00246 137 2PZ 0.00281 -0.00423 -0.01836 0.00433 -0.00495 138 3S 0.00356 -0.00478 -0.01119 0.00019 -0.00240 139 3PX 0.00052 -0.00167 -0.00735 -0.00476 0.00093 140 3PY 0.00086 -0.00110 -0.00496 0.00071 0.00067 141 3PZ 0.00190 -0.00207 -0.01921 0.00415 -0.00710 142 4XX -0.00032 0.00025 0.00064 0.00036 0.00001 143 4YY -0.00006 0.00027 0.00022 0.00026 -0.00012 144 4ZZ 0.00026 -0.00041 -0.00038 -0.00035 -0.00005 145 4XY 0.00015 -0.00060 -0.00009 0.00014 0.00029 146 4XZ 0.00001 -0.00004 -0.00050 0.00006 0.00002 147 4YZ -0.00031 0.00062 0.00027 -0.00019 -0.00046 148 16 C 1S -0.00160 0.00237 0.00275 0.00037 -0.00219 149 2S 0.00232 -0.00724 -0.00839 0.00112 0.01167 150 2PX -0.00601 0.01600 0.01449 0.00147 -0.01969 151 2PY -0.00138 0.00411 0.00285 0.00184 -0.00129 152 2PZ 0.00522 -0.01807 -0.01389 0.00169 0.01864 153 3S 0.00606 -0.00124 -0.00166 -0.00812 -0.01872 154 3PX -0.00470 0.01726 0.02393 0.00042 -0.03174 155 3PY -0.00098 0.01048 0.00749 -0.00131 -0.02065 156 3PZ 0.00664 -0.00698 -0.00779 -0.00013 0.00119 157 4XX -0.00063 0.00056 0.00092 0.00003 -0.00036 158 4YY 0.00003 -0.00028 -0.00017 0.00039 0.00086 159 4ZZ -0.00062 0.00051 0.00050 0.00048 -0.00154 160 4XY -0.00037 0.00055 -0.00007 0.00037 -0.00068 161 4XZ 0.00066 -0.00101 -0.00114 0.00007 0.00209 162 4YZ 0.00023 -0.00046 0.00049 -0.00025 0.00104 163 17 H 1S -0.00148 0.00243 0.00374 0.00104 0.00045 164 2S -0.00291 0.00564 0.00935 0.00523 -0.00186 165 18 H 1S 0.00270 -0.00473 -0.00805 -0.00102 -0.00060 166 2S -0.00010 -0.00130 0.01067 -0.00203 0.00672 167 19 O 1S -0.00056 0.00099 0.00448 -0.00124 -0.00165 168 2S 0.00228 -0.00252 -0.00961 0.00340 0.00099 169 2PX -0.00379 0.01216 0.01822 -0.00615 -0.00593 170 2PY -0.00114 -0.00118 0.00506 -0.00452 0.00074 171 2PZ 0.00311 -0.00877 -0.02213 0.00845 -0.00281 172 3S -0.00116 -0.00488 -0.02703 0.00435 0.01800 173 3PX -0.00096 0.00699 0.01209 -0.00447 -0.00653 174 3PY -0.00086 -0.00248 -0.00199 -0.00335 0.00534 175 3PZ 0.00116 -0.00346 -0.01267 0.00584 -0.00685 176 4XX 0.00046 -0.00072 -0.00018 0.00039 0.00000 177 4YY 0.00040 -0.00042 -0.00023 -0.00003 -0.00064 178 4ZZ 0.00021 0.00056 0.00142 -0.00010 -0.00159 179 4XY -0.00008 0.00060 0.00078 -0.00045 -0.00066 180 4XZ 0.00030 -0.00048 -0.00179 0.00033 0.00045 181 4YZ 0.00031 -0.00067 -0.00146 0.00046 -0.00005 182 20 H 1S -0.05287 0.10196 -0.18017 -0.08049 0.17924 183 2S -0.00701 0.02105 -0.16487 -0.06625 0.15938 184 21 H 1S 0.00840 -0.02009 0.01885 -0.02734 -0.01614 185 2S 0.01010 -0.02085 0.03502 -0.05262 -0.02229 186 22 H 1S -0.00132 0.00099 -0.00111 0.00171 -0.00124 187 2S -0.00232 0.00125 -0.00626 0.00757 -0.00090 188 23 H 1S 0.00046 0.00109 0.00160 -0.00109 -0.00102 189 2S 0.00048 0.00573 0.00505 0.00098 -0.00801 51 52 53 54 55 51 3S 0.30211 52 3PX -0.00136 0.08586 53 3PY 0.00729 -0.00186 0.08588 54 3PZ -0.00699 0.00655 -0.00766 0.09073 55 4XX -0.00035 0.00492 -0.00456 0.00528 0.00114 56 4YY -0.00513 0.00019 0.00601 -0.00086 -0.00033 57 4ZZ -0.00015 -0.00478 -0.00318 -0.00238 -0.00017 58 4XY -0.00117 -0.00724 -0.00004 -0.00023 -0.00040 59 4XZ -0.00236 0.00664 0.00025 -0.00509 0.00023 60 4YZ -0.00250 -0.00016 0.00092 -0.00612 -0.00042 61 5 C 1S 0.00258 0.00271 0.00571 0.01309 0.00197 62 2S 0.02396 -0.01329 -0.01147 -0.04403 -0.00450 63 2PX 0.09363 -0.00004 -0.01358 -0.04353 -0.00736 64 2PY 0.11179 -0.01604 0.00263 -0.05772 -0.00166 65 2PZ 0.08684 -0.03739 -0.05336 -0.11716 -0.00375 66 3S 0.00025 -0.01154 -0.00988 -0.02320 -0.00464 67 3PX 0.04852 -0.00165 -0.00132 -0.01622 -0.00411 68 3PY 0.02853 0.00036 -0.00475 -0.00274 0.00008 69 3PZ -0.00064 -0.00756 -0.02377 -0.04786 0.00010 70 4XX -0.00365 0.00317 0.00081 0.00129 0.00055 71 4YY -0.00684 0.00064 0.00362 0.00256 -0.00029 72 4ZZ 0.01172 -0.00266 -0.00391 -0.00033 0.00004 73 4XY 0.00382 0.00043 -0.00012 -0.00239 -0.00017 74 4XZ 0.00373 0.00421 -0.00107 -0.00117 0.00027 75 4YZ 0.00654 -0.00139 0.00183 -0.00426 -0.00039 76 6 C 1S 0.00759 -0.00455 -0.00411 -0.00802 -0.00114 77 2S -0.01647 0.00904 0.00872 0.01864 0.00235 78 2PX 0.00174 -0.00128 0.00734 0.04076 -0.00086 79 2PY -0.01091 -0.00744 0.00450 0.00837 -0.00219 80 2PZ -0.07811 0.01497 0.02096 0.02261 0.00526 81 3S 0.01674 0.00630 0.01091 -0.00609 0.00156 82 3PX 0.02532 -0.00640 -0.00283 0.00784 -0.00186 83 3PY 0.02143 -0.01540 0.00708 -0.01122 -0.00297 84 3PZ -0.03851 0.01190 0.00932 -0.00484 0.00260 85 4XX 0.00276 -0.00006 0.00007 -0.00042 -0.00019 86 4YY -0.00435 0.00070 -0.00008 0.00203 0.00007 87 4ZZ 0.00350 -0.00170 -0.00119 -0.00434 -0.00013 88 4XY 0.00172 -0.00039 -0.00209 -0.00270 -0.00006 89 4XZ 0.00278 -0.00060 -0.00026 -0.00305 -0.00013 90 4YZ 0.00357 -0.00017 -0.00024 -0.00127 -0.00012 91 7 H 1S 0.00354 0.00130 -0.00023 -0.00070 0.00044 92 2S -0.00168 0.00383 -0.00067 0.00421 0.00114 93 8 H 1S 0.04598 -0.00397 0.03698 -0.00019 -0.00081 94 2S 0.05206 -0.00611 0.04915 -0.00658 -0.00228 95 9 H 1S -0.01941 -0.01473 -0.01812 -0.00845 -0.00095 96 2S -0.00380 -0.02327 -0.02464 -0.00581 -0.00070 97 10 H 1S 0.08095 0.11189 -0.04140 0.03909 0.01150 98 2S -0.00681 0.09433 -0.02999 0.02561 0.01044 99 11 H 1S -0.06427 0.00614 0.00753 0.02545 -0.00156 100 2S -0.06879 0.00962 0.01768 0.03802 -0.00043 101 12 H 1S 0.04177 -0.00463 -0.01304 -0.02991 -0.00119 102 2S 0.05147 -0.01222 -0.01569 -0.04622 -0.00276 103 13 C 1S 0.00485 -0.00199 -0.00085 -0.00127 -0.00017 104 2S -0.00903 0.00102 0.00100 0.00195 0.00043 105 2PX 0.04190 -0.01623 0.00751 -0.01812 -0.00142 106 2PY 0.00883 0.00247 -0.00146 -0.00012 -0.00011 107 2PZ -0.03611 0.00601 -0.01048 0.01474 0.00136 108 3S -0.04200 0.00318 -0.00214 0.02033 0.00139 109 3PX 0.02838 -0.01262 0.00969 -0.00941 -0.00147 110 3PY 0.00535 0.00702 -0.00077 -0.00151 0.00037 111 3PZ -0.03137 0.00619 -0.00395 0.01530 0.00129 112 4XX -0.00109 -0.00048 -0.00025 -0.00021 0.00000 113 4YY 0.00032 0.00016 0.00050 0.00046 0.00000 114 4ZZ 0.00204 0.00013 0.00008 -0.00077 -0.00004 115 4XY 0.00000 -0.00060 0.00040 0.00015 -0.00007 116 4XZ 0.00124 -0.00079 0.00020 -0.00018 -0.00003 117 4YZ -0.00020 -0.00027 -0.00075 -0.00029 0.00007 118 14 O 1S -0.00140 0.00066 -0.00032 0.00120 0.00004 119 2S 0.00520 -0.00117 0.00170 -0.00313 -0.00018 120 2PX -0.02578 0.00456 0.00796 0.00206 0.00035 121 2PY 0.00375 0.01137 0.00147 0.00661 0.00002 122 2PZ 0.01643 0.00984 -0.00791 0.00188 -0.00015 123 3S 0.00764 -0.00275 -0.00054 -0.01043 -0.00035 124 3PX -0.02367 0.00319 0.00614 0.00362 0.00055 125 3PY 0.00329 0.00886 0.00121 0.00583 0.00000 126 3PZ 0.01702 0.00549 -0.00421 -0.00022 -0.00026 127 4XX -0.00092 0.00070 -0.00017 0.00061 0.00007 128 4YY -0.00005 -0.00042 0.00011 0.00010 0.00001 129 4ZZ 0.00064 -0.00017 0.00046 0.00006 -0.00005 130 4XY 0.00066 -0.00030 -0.00028 -0.00015 -0.00001 131 4XZ 0.00026 -0.00021 0.00025 -0.00019 -0.00001 132 4YZ -0.00011 -0.00039 0.00016 -0.00026 0.00000 133 15 C 1S 0.00215 0.00092 -0.00061 -0.00086 -0.00002 134 2S -0.00212 -0.00275 0.00100 0.00004 -0.00013 135 2PX 0.00324 0.00254 -0.00028 -0.00164 -0.00008 136 2PY -0.00568 0.00022 -0.00103 0.00025 0.00010 137 2PZ -0.01753 -0.00969 0.00548 0.00069 -0.00011 138 3S -0.00295 -0.00371 0.00052 0.00040 -0.00031 139 3PX -0.00221 -0.00300 -0.00296 0.00092 -0.00023 140 3PY -0.00041 0.00015 -0.00061 0.00171 -0.00022 141 3PZ -0.00572 -0.01057 0.00459 -0.00645 -0.00043 142 4XX 0.00118 -0.00002 0.00041 -0.00132 0.00004 143 4YY -0.00037 -0.00007 0.00036 -0.00059 -0.00002 144 4ZZ -0.00068 0.00030 -0.00068 0.00184 -0.00001 145 4XY -0.00087 -0.00002 0.00096 -0.00079 0.00006 146 4XZ 0.00079 -0.00006 -0.00017 0.00014 -0.00002 147 4YZ 0.00190 0.00109 -0.00100 0.00153 -0.00005 148 16 C 1S 0.00255 0.00447 0.00152 -0.00311 -0.00041 149 2S -0.00748 -0.00430 0.00070 0.00600 0.00046 150 2PX 0.01136 0.01167 -0.00823 -0.00175 0.00106 151 2PY -0.00172 0.00523 0.00236 0.00096 -0.00006 152 2PZ -0.00087 0.00415 0.00977 0.00680 -0.00135 153 3S 0.00822 -0.00074 -0.00021 -0.00599 0.00009 154 3PX 0.00614 0.01151 -0.00631 -0.01038 0.00075 155 3PY 0.01295 0.00524 -0.00020 -0.00827 -0.00012 156 3PZ 0.00620 -0.00038 0.00482 -0.00124 -0.00115 157 4XX 0.00265 0.00163 -0.00103 0.00221 -0.00015 158 4YY -0.00173 -0.00055 0.00030 -0.00003 0.00004 159 4ZZ 0.00031 -0.00056 0.00096 -0.00250 0.00005 160 4XY 0.00252 -0.00074 0.00040 -0.00077 -0.00009 161 4XZ -0.00127 -0.00019 0.00011 0.00054 0.00012 162 4YZ -0.00140 0.00029 -0.00086 0.00121 0.00013 163 17 H 1S 0.00559 0.00051 0.00112 -0.00515 0.00001 164 2S 0.00913 0.00123 0.00425 -0.01008 0.00014 165 18 H 1S -0.01212 -0.00232 0.00035 0.00659 0.00011 166 2S -0.00943 0.00805 -0.00285 0.01558 0.00053 167 19 O 1S 0.00837 0.00231 -0.00265 0.00095 0.00014 168 2S -0.01856 -0.00416 0.00504 -0.00118 -0.00029 169 2PX 0.01251 0.01347 -0.01906 0.02775 -0.00092 170 2PY 0.03112 0.01811 -0.00895 0.01364 0.00024 171 2PZ -0.02064 -0.03046 0.03008 -0.04819 0.00025 172 3S -0.02749 -0.01422 0.00734 0.00314 -0.00059 173 3PX 0.00876 0.01047 -0.01350 0.01960 -0.00078 174 3PY 0.01882 0.00960 -0.00611 0.01100 0.00013 175 3PZ -0.01345 -0.01986 0.02006 -0.03600 0.00032 176 4XX -0.00045 -0.00034 0.00079 -0.00089 -0.00003 177 4YY 0.00149 0.00081 -0.00051 0.00054 -0.00002 178 4ZZ -0.00030 0.00048 -0.00047 -0.00017 0.00005 179 4XY 0.00034 0.00029 -0.00084 0.00070 -0.00005 180 4XZ -0.00070 -0.00073 -0.00010 0.00054 -0.00003 181 4YZ -0.00142 -0.00148 0.00139 -0.00194 0.00000 182 20 H 1S 0.09108 -0.07904 -0.04181 0.08298 0.00242 183 2S 0.01901 -0.07318 -0.03401 0.07123 0.00130 184 21 H 1S -0.03335 0.00937 -0.01271 -0.01225 0.00039 185 2S -0.03229 0.01823 -0.02122 -0.01142 0.00189 186 22 H 1S 0.01424 0.00071 0.00473 -0.00305 -0.00050 187 2S 0.01824 -0.00230 0.00674 -0.00337 -0.00091 188 23 H 1S -0.00630 -0.00653 -0.00366 -0.00269 0.00098 189 2S -0.00091 -0.00371 -0.00288 -0.00755 0.00068 56 57 58 59 60 56 4YY 0.00121 57 4ZZ -0.00033 0.00105 58 4XY 0.00003 0.00038 0.00096 59 4XZ 0.00007 -0.00033 -0.00054 0.00130 60 4YZ 0.00025 0.00018 0.00004 0.00042 0.00091 61 5 C 1S 0.00081 -0.00456 -0.00115 -0.00264 -0.00410 62 2S -0.00222 0.00848 0.00204 0.00525 0.00767 63 2PX -0.00072 0.00574 -0.00143 -0.00784 0.00393 64 2PY -0.00983 0.00738 -0.00103 0.00344 -0.00341 65 2PZ -0.00225 0.00104 0.00361 0.00572 0.00869 66 3S -0.00177 0.00861 0.00249 0.00331 0.00612 67 3PX -0.00125 0.00456 -0.00119 -0.00505 0.00155 68 3PY -0.00342 0.00229 -0.00060 0.00034 -0.00276 69 3PZ -0.00015 -0.00148 0.00105 0.00512 0.00415 70 4XX -0.00011 -0.00043 -0.00026 0.00024 -0.00030 71 4YY 0.00085 -0.00039 0.00005 -0.00016 0.00031 72 4ZZ -0.00055 0.00029 0.00009 -0.00052 -0.00033 73 4XY 0.00004 -0.00001 -0.00006 -0.00012 0.00008 74 4XZ -0.00019 -0.00011 -0.00038 0.00062 0.00002 75 4YZ 0.00020 -0.00009 0.00013 0.00011 0.00031 76 6 C 1S 0.00068 -0.00030 0.00024 -0.00130 0.00054 77 2S -0.00152 0.00016 -0.00073 0.00292 -0.00141 78 2PX -0.00309 0.00630 -0.00134 -0.00156 -0.00384 79 2PY 0.00171 -0.00095 -0.00013 -0.00304 0.00173 80 2PZ -0.00200 -0.00133 0.00011 0.00928 -0.00056 81 3S -0.00276 0.00089 -0.00124 0.00203 0.00073 82 3PX -0.00146 0.00367 -0.00085 -0.00284 -0.00128 83 3PY -0.00003 0.00189 0.00104 -0.00235 0.00183 84 3PZ -0.00033 -0.00193 -0.00037 0.00493 0.00127 85 4XX -0.00015 0.00036 -0.00004 -0.00027 -0.00005 86 4YY 0.00035 -0.00033 0.00002 -0.00010 0.00011 87 4ZZ -0.00005 0.00002 0.00015 0.00019 0.00019 88 4XY 0.00000 -0.00010 0.00001 0.00001 0.00008 89 4XZ -0.00017 0.00024 0.00004 0.00024 0.00012 90 4YZ -0.00008 0.00004 -0.00002 -0.00032 -0.00005 91 7 H 1S -0.00008 0.00018 -0.00020 0.00062 -0.00110 92 2S -0.00033 -0.00007 -0.00069 0.00148 -0.00253 93 8 H 1S -0.00011 -0.00001 0.00029 -0.00020 0.00198 94 2S 0.00023 0.00044 0.00036 -0.00043 0.00306 95 9 H 1S 0.00174 0.00161 0.00761 -0.00092 0.00178 96 2S -0.00149 0.00325 0.00741 -0.00198 0.00143 97 10 H 1S -0.00486 -0.00664 -0.01023 0.00741 -0.00360 98 2S -0.00282 -0.00648 -0.00917 0.00855 -0.00244 99 11 H 1S 0.00650 -0.00183 0.00121 -0.00093 0.00479 100 2S 0.00718 -0.00457 0.00058 -0.00158 0.00206 101 12 H 1S 0.00007 -0.00017 0.00039 -0.00149 0.00084 102 2S -0.00017 0.00099 0.00092 -0.00196 0.00199 103 13 C 1S 0.00005 0.00010 -0.00010 0.00018 0.00019 104 2S -0.00014 -0.00004 -0.00003 -0.00024 0.00007 105 2PX 0.00112 -0.00045 0.00026 0.00165 0.00050 106 2PY -0.00098 0.00111 -0.00047 -0.00062 -0.00021 107 2PZ -0.00090 0.00048 -0.00017 -0.00135 -0.00023 108 3S 0.00026 -0.00033 0.00040 -0.00187 -0.00164 109 3PX 0.00079 0.00014 0.00082 0.00007 -0.00037 110 3PY -0.00090 0.00036 -0.00056 0.00044 0.00061 111 3PZ -0.00035 -0.00008 0.00005 -0.00093 -0.00080 112 4XX 0.00006 0.00003 0.00005 0.00004 -0.00002 113 4YY -0.00001 -0.00001 0.00002 -0.00006 0.00002 114 4ZZ -0.00001 -0.00004 -0.00004 0.00010 0.00001 115 4XY -0.00012 0.00024 0.00000 -0.00029 -0.00005 116 4XZ -0.00006 0.00009 -0.00003 -0.00008 0.00005 117 4YZ 0.00013 -0.00020 -0.00001 0.00030 0.00005 118 14 O 1S -0.00004 -0.00007 0.00020 -0.00011 -0.00014 119 2S 0.00000 0.00014 -0.00047 0.00016 0.00015 120 2PX 0.00056 0.00002 0.00080 -0.00059 -0.00081 121 2PY 0.00024 -0.00066 -0.00022 0.00033 0.00016 122 2PZ -0.00030 -0.00126 -0.00112 0.00133 0.00077 123 3S 0.00020 -0.00016 -0.00093 0.00111 0.00109 124 3PX 0.00032 0.00000 0.00060 -0.00060 -0.00079 125 3PY 0.00020 -0.00047 -0.00006 0.00009 -0.00008 126 3PZ -0.00007 -0.00093 -0.00079 0.00109 0.00050 127 4XX -0.00005 -0.00002 -0.00004 -0.00003 -0.00003 128 4YY -0.00003 0.00003 0.00000 -0.00006 -0.00005 129 4ZZ 0.00001 0.00004 0.00004 -0.00004 -0.00005 130 4XY -0.00001 -0.00001 -0.00002 0.00002 0.00005 131 4XZ -0.00001 0.00001 -0.00005 -0.00001 0.00001 132 4YZ 0.00005 0.00000 0.00005 0.00002 -0.00001 133 15 C 1S 0.00007 -0.00007 -0.00013 0.00031 0.00004 134 2S -0.00026 0.00031 0.00022 -0.00060 -0.00002 135 2PX 0.00029 -0.00045 -0.00040 0.00058 0.00003 136 2PY -0.00006 -0.00004 -0.00023 0.00013 -0.00015 137 2PZ 0.00016 0.00026 0.00062 -0.00055 0.00015 138 3S -0.00036 0.00070 0.00022 -0.00098 -0.00006 139 3PX -0.00004 0.00033 -0.00002 -0.00021 -0.00001 140 3PY -0.00001 0.00011 0.00030 -0.00028 -0.00003 141 3PZ 0.00024 -0.00014 0.00032 -0.00007 0.00027 142 4XX 0.00000 -0.00014 -0.00004 0.00008 0.00003 143 4YY 0.00003 -0.00003 -0.00002 0.00005 0.00002 144 4ZZ -0.00002 0.00014 0.00004 -0.00010 -0.00005 145 4XY 0.00003 -0.00009 0.00003 0.00001 -0.00001 146 4XZ 0.00000 0.00001 0.00000 -0.00002 0.00000 147 4YZ -0.00004 0.00005 -0.00003 -0.00002 0.00002 148 16 C 1S 0.00002 -0.00071 -0.00011 0.00080 0.00005 149 2S -0.00044 0.00039 0.00043 -0.00161 -0.00026 150 2PX 0.00241 -0.00460 -0.00026 0.00571 0.00064 151 2PY 0.00090 -0.00118 0.00006 0.00109 0.00024 152 2PZ -0.00246 0.00367 0.00017 -0.00603 -0.00063 153 3S -0.00193 0.00176 0.00003 -0.00100 0.00124 154 3PX 0.00187 -0.00344 -0.00086 0.00534 0.00131 155 3PY 0.00015 -0.00076 -0.00052 0.00189 0.00081 156 3PZ -0.00175 0.00268 0.00002 -0.00366 0.00021 157 4XX -0.00006 0.00024 -0.00009 -0.00014 -0.00006 158 4YY 0.00009 -0.00008 0.00002 0.00004 0.00002 159 4ZZ 0.00005 -0.00017 0.00000 0.00017 0.00005 160 4XY 0.00006 0.00003 0.00001 0.00001 0.00004 161 4XZ 0.00001 -0.00016 0.00005 -0.00002 -0.00003 162 4YZ -0.00004 0.00000 0.00000 0.00001 -0.00004 163 17 H 1S 0.00012 -0.00060 -0.00026 0.00048 0.00011 164 2S 0.00038 -0.00132 -0.00035 0.00118 0.00027 165 18 H 1S -0.00020 0.00062 0.00045 -0.00073 -0.00012 166 2S -0.00023 0.00073 0.00022 -0.00062 -0.00042 167 19 O 1S -0.00007 0.00013 -0.00014 0.00013 0.00001 168 2S 0.00012 -0.00040 0.00034 -0.00031 0.00010 169 2PX -0.00022 0.00224 -0.00076 0.00009 -0.00011 170 2PY -0.00054 -0.00010 -0.00014 -0.00041 -0.00023 171 2PZ 0.00078 -0.00182 0.00109 0.00039 0.00069 172 3S 0.00044 -0.00016 0.00080 -0.00116 -0.00073 173 3PX -0.00045 0.00192 -0.00051 -0.00034 0.00011 174 3PY -0.00037 0.00007 0.00004 -0.00063 -0.00034 175 3PZ 0.00083 -0.00189 0.00072 0.00109 0.00072 176 4XX -0.00008 0.00010 0.00001 -0.00016 0.00002 177 4YY -0.00001 0.00000 0.00003 0.00000 0.00004 178 4ZZ 0.00006 -0.00010 -0.00003 0.00024 0.00005 179 4XY -0.00001 0.00010 -0.00004 0.00003 0.00002 180 4XZ 0.00002 0.00001 0.00007 -0.00005 -0.00001 181 4YZ -0.00001 -0.00001 0.00006 -0.00007 0.00002 182 20 H 1S -0.00576 0.00364 0.00696 -0.01312 -0.00751 183 2S -0.00434 0.00446 0.00698 -0.01252 -0.00651 184 21 H 1S 0.00275 -0.00025 -0.00568 0.00207 0.00549 185 2S -0.00032 0.00040 -0.00580 0.00284 0.00499 186 22 H 1S -0.00037 0.00053 -0.00014 -0.00044 -0.00009 187 2S -0.00020 0.00066 0.00005 -0.00083 -0.00029 188 23 H 1S 0.00039 -0.00090 0.00011 0.00130 0.00010 189 2S 0.00064 -0.00135 -0.00020 0.00175 0.00041 61 62 63 64 65 61 5 C 1S 2.05499 62 2S -0.06133 0.32633 63 2PX 0.00315 -0.00483 0.35439 64 2PY 0.00191 0.00376 -0.02302 0.41151 65 2PZ 0.00214 0.00093 0.04001 0.00391 0.38399 66 3S -0.19780 0.29069 0.01223 -0.00350 -0.02807 67 3PX -0.00758 0.01604 0.19637 0.01982 -0.03217 68 3PY -0.00758 -0.00820 -0.00468 0.13002 -0.01758 69 3PZ 0.00297 -0.00462 -0.04854 -0.01430 0.17020 70 4XX -0.01132 -0.01296 -0.00888 0.00494 -0.00137 71 4YY -0.01838 0.00158 0.00429 -0.02195 -0.00253 72 4ZZ -0.01398 -0.00730 0.00781 0.01079 0.00470 73 4XY 0.00161 -0.00345 0.00762 0.00004 0.00415 74 4XZ -0.00249 0.00560 -0.00453 0.00528 -0.00115 75 4YZ -0.00081 0.00153 0.00335 -0.00230 0.01081 76 6 C 1S 0.01788 -0.03384 0.05514 -0.03906 0.04363 77 2S -0.03602 0.06176 -0.11749 0.07547 -0.08979 78 2PX -0.05991 0.12166 0.00709 0.13787 -0.21173 79 2PY 0.03622 -0.07537 0.13526 -0.05077 0.08012 80 2PZ -0.04300 0.08347 -0.24258 0.06404 -0.01510 81 3S 0.01166 0.01682 -0.04580 0.10482 -0.05015 82 3PX -0.00739 0.03363 0.07528 0.06145 -0.08999 83 3PY 0.00605 -0.00950 0.09236 0.00966 0.03205 84 3PZ 0.00475 0.00613 -0.09987 0.00562 0.03879 85 4XX -0.00160 0.00278 0.00836 0.00424 -0.00521 86 4YY 0.00118 -0.00343 0.00219 -0.01331 0.00246 87 4ZZ -0.00024 0.00008 -0.00219 0.00189 0.01017 88 4XY 0.00373 -0.00671 0.00235 0.00163 0.00838 89 4XZ -0.00330 0.00637 -0.00296 0.00724 0.00074 90 4YZ 0.00332 -0.00626 0.00857 0.00162 0.00096 91 7 H 1S -0.00753 0.01707 -0.03031 0.01511 -0.01497 92 2S -0.01234 0.02410 -0.06563 0.03045 -0.02983 93 8 H 1S -0.00252 0.00795 0.01088 0.00924 -0.00291 94 2S -0.00361 0.01394 0.03433 0.02541 -0.00579 95 9 H 1S -0.00421 0.01109 0.01223 0.01109 0.01093 96 2S -0.00628 0.01443 0.02775 0.02016 0.01337 97 10 H 1S 0.00809 -0.01963 -0.02500 -0.00183 -0.02344 98 2S 0.01421 -0.02689 -0.08201 -0.01218 -0.02897 99 11 H 1S -0.05969 0.11295 0.02938 -0.26416 -0.02267 100 2S -0.01311 0.02597 0.00925 -0.24493 -0.02201 101 12 H 1S 0.01338 -0.02791 0.03271 -0.00422 0.03215 102 2S 0.01887 -0.03229 0.07741 0.00140 0.06793 103 13 C 1S -0.00096 0.00324 0.00345 0.00441 -0.00066 104 2S 0.00309 -0.00397 -0.00801 -0.00650 0.00422 105 2PX -0.00602 0.01970 0.00551 0.00668 -0.00167 106 2PY -0.00166 0.00257 0.02186 0.01611 -0.01217 107 2PZ 0.00542 -0.01607 -0.01141 -0.00645 0.00572 108 3S -0.00390 -0.01547 -0.01236 -0.04105 -0.01992 109 3PX -0.00525 0.01582 0.01447 0.00810 -0.01701 110 3PY 0.00344 -0.00096 0.00299 0.01500 0.01066 111 3PZ 0.00095 -0.01385 -0.02189 -0.00944 -0.00461 112 4XX -0.00015 0.00009 -0.00100 0.00028 0.00082 113 4YY 0.00008 -0.00002 0.00030 -0.00010 -0.00048 114 4ZZ -0.00011 0.00080 0.00016 0.00085 0.00001 115 4XY -0.00037 0.00017 0.00560 0.00230 -0.00325 116 4XZ -0.00016 0.00052 0.00162 0.00076 -0.00149 117 4YZ 0.00043 -0.00030 -0.00505 -0.00154 0.00330 118 14 O 1S -0.00022 -0.00083 -0.00029 -0.00057 -0.00038 119 2S -0.00032 0.00189 0.00260 0.00159 -0.00241 120 2PX 0.00196 -0.01053 -0.00512 -0.00636 0.00385 121 2PY 0.00012 -0.00069 -0.00505 -0.00592 0.00207 122 2PZ -0.00038 0.00618 -0.01085 -0.00505 0.00366 123 3S 0.00417 0.00260 -0.00467 0.00354 0.01629 124 3PX 0.00087 -0.00950 -0.00800 -0.00668 0.00037 125 3PY -0.00084 -0.00063 -0.00068 -0.00534 -0.00212 126 3PZ -0.00100 0.00695 -0.00652 -0.00313 0.00013 127 4XX 0.00013 -0.00070 -0.00054 -0.00032 -0.00035 128 4YY -0.00035 0.00001 0.00039 0.00001 -0.00100 129 4ZZ -0.00059 0.00049 0.00161 0.00047 -0.00143 130 4XY 0.00006 0.00032 -0.00006 -0.00005 0.00023 131 4XZ -0.00001 0.00012 0.00024 0.00009 -0.00015 132 4YZ 0.00000 -0.00005 -0.00046 -0.00022 0.00048 133 15 C 1S 0.00031 0.00016 -0.00230 -0.00028 0.00028 134 2S -0.00014 0.00012 0.00528 0.00125 -0.00036 135 2PX 0.00106 -0.00104 -0.00789 -0.00129 0.00106 136 2PY 0.00028 -0.00035 -0.00361 0.00069 -0.00187 137 2PZ -0.00089 0.00172 -0.00116 -0.00103 0.00274 138 3S -0.00167 -0.00067 0.01412 0.00313 -0.00049 139 3PX 0.00070 0.00067 -0.00054 0.00011 0.00161 140 3PY -0.00010 0.00080 0.00121 -0.00034 -0.00116 141 3PZ -0.00013 0.00145 -0.01062 -0.00169 0.00866 142 4XX 0.00047 -0.00028 -0.00260 -0.00032 0.00062 143 4YY 0.00012 -0.00014 -0.00035 -0.00024 0.00036 144 4ZZ -0.00034 0.00032 0.00261 0.00051 -0.00089 145 4XY 0.00036 -0.00075 -0.00234 -0.00068 0.00100 146 4XZ -0.00011 0.00015 0.00004 -0.00017 -0.00005 147 4YZ -0.00050 0.00078 0.00242 0.00047 -0.00097 148 16 C 1S -0.00195 0.00260 -0.00843 -0.00428 0.00244 149 2S 0.00085 -0.01172 0.01025 0.00287 -0.00673 150 2PX 0.00438 -0.00253 -0.10006 -0.03473 0.05650 151 2PY -0.00057 0.00518 -0.02520 -0.01766 0.00963 152 2PZ -0.00771 0.01090 0.08812 0.02311 -0.05946 153 3S 0.01939 -0.00897 0.03370 0.03755 0.01772 154 3PX -0.00116 0.00241 -0.06898 -0.02648 0.05827 155 3PY 0.00042 0.00593 -0.01876 0.00966 0.01998 156 3PZ 0.00289 0.00279 0.07191 0.01844 -0.02544 157 4XX -0.00166 0.00291 0.00639 0.00236 -0.00506 158 4YY -0.00015 -0.00072 -0.00200 -0.00233 0.00114 159 4ZZ 0.00005 -0.00093 -0.00300 -0.00031 0.00308 160 4XY -0.00065 0.00175 0.00232 -0.00081 -0.00135 161 4XZ 0.00087 -0.00215 -0.00444 -0.00155 0.00101 162 4YZ 0.00069 -0.00189 -0.00161 0.00050 0.00103 163 17 H 1S 0.00142 -0.00087 -0.01077 -0.00153 0.00282 164 2S 0.00191 -0.00083 -0.02156 -0.00370 0.00565 165 18 H 1S -0.00145 0.00102 0.00985 0.00186 -0.00338 166 2S -0.00191 0.00050 0.01929 0.00327 -0.01361 167 19 O 1S -0.00006 0.00124 0.00404 0.00016 0.00063 168 2S 0.00144 -0.00357 -0.00921 -0.00011 0.00160 169 2PX -0.00871 0.01381 0.06018 0.01144 -0.01992 170 2PY -0.00185 0.00158 0.00861 -0.00100 -0.00435 171 2PZ 0.00815 -0.00917 -0.05232 -0.01312 0.02774 172 3S -0.00560 -0.00091 -0.01760 -0.00057 -0.01791 173 3PX -0.00393 0.01000 0.05169 0.01067 -0.01445 174 3PY -0.00167 0.00082 0.00515 -0.00137 -0.00723 175 3PZ 0.00724 -0.00760 -0.04912 -0.01409 0.03125 176 4XX 0.00024 -0.00022 0.00249 0.00102 -0.00083 177 4YY 0.00041 0.00028 0.00014 -0.00053 0.00077 178 4ZZ 0.00077 -0.00013 -0.00221 -0.00025 0.00242 179 4XY -0.00030 0.00069 0.00263 0.00048 -0.00036 180 4XZ 0.00009 -0.00043 -0.00078 -0.00003 0.00006 181 4YZ 0.00035 -0.00059 -0.00104 0.00015 0.00079 182 20 H 1S 0.00810 -0.02346 -0.00302 -0.00514 -0.02614 183 2S 0.01254 -0.02988 0.00774 -0.01030 -0.05903 184 21 H 1S -0.00193 0.00809 -0.00892 0.00399 0.02443 185 2S -0.00256 0.00828 -0.01197 0.01245 0.03386 186 22 H 1S -0.00217 0.00569 0.01887 0.00820 -0.01269 187 2S -0.00428 0.00822 0.02244 0.01240 -0.02171 188 23 H 1S 0.00600 -0.01491 -0.02504 -0.00207 0.02148 189 2S 0.00674 -0.01323 -0.02735 -0.00707 0.02821 66 67 68 69 70 66 3S 0.30060 67 3PX 0.02129 0.12487 68 3PY 0.00563 0.00624 0.05321 69 3PZ -0.02581 -0.05272 -0.01514 0.09658 70 4XX -0.01129 -0.00518 0.00167 0.00075 0.00149 71 4YY 0.00386 0.00113 -0.00652 -0.00038 -0.00052 72 4ZZ -0.00678 0.00449 0.00330 -0.00006 0.00007 73 4XY -0.00321 0.00319 -0.00011 0.00028 0.00000 74 4XZ 0.00351 -0.00169 0.00145 0.00063 -0.00001 75 4YZ 0.00061 0.00006 -0.00162 0.00357 -0.00014 76 6 C 1S -0.00917 0.01230 -0.00984 0.00436 -0.00196 77 2S 0.03347 -0.03508 0.02574 -0.01208 0.00317 78 2PX 0.13110 0.04975 0.05358 -0.09571 -0.01090 79 2PY -0.05002 0.06232 -0.00541 0.03267 -0.00515 80 2PZ 0.09080 -0.12907 0.02377 0.02879 0.00700 81 3S -0.02630 0.00785 0.01881 -0.00661 0.00431 82 3PX 0.02878 0.06573 0.01760 -0.05088 -0.00751 83 3PY -0.00108 0.05178 0.00217 -0.00023 -0.00330 84 3PZ 0.00199 -0.06093 -0.00261 0.03337 0.00592 85 4XX 0.00396 0.00568 0.00159 -0.00483 -0.00025 86 4YY -0.00287 -0.00025 -0.00408 0.00198 -0.00020 87 4ZZ -0.00162 -0.00269 -0.00056 0.00448 0.00012 88 4XY -0.00854 -0.00001 0.00027 0.00455 0.00005 89 4XZ 0.00402 -0.00054 0.00162 0.00042 0.00004 90 4YZ -0.00762 0.00548 0.00012 -0.00162 0.00034 91 7 H 1S 0.04153 -0.02563 0.00660 -0.01358 0.00034 92 2S 0.04888 -0.04372 0.01574 -0.01523 0.00109 93 8 H 1S 0.00542 0.01175 -0.00990 -0.00326 -0.00021 94 2S 0.01443 0.02816 -0.00402 -0.00905 -0.00090 95 9 H 1S 0.01103 0.00908 -0.00455 0.00280 -0.00024 96 2S 0.01062 0.02204 -0.00341 -0.00197 -0.00114 97 10 H 1S -0.03206 -0.01669 0.00582 0.00221 0.00458 98 2S -0.04475 -0.04622 -0.00375 0.01694 0.00610 99 11 H 1S 0.11235 0.00497 -0.08410 -0.00407 -0.00852 100 2S 0.03319 -0.01110 -0.07232 0.00215 -0.00501 101 12 H 1S -0.05772 0.01769 -0.01041 0.00730 0.00307 102 2S -0.05898 0.03768 -0.01146 0.01283 0.00158 103 13 C 1S -0.00040 0.00317 -0.00096 -0.00133 -0.00050 104 2S -0.00631 -0.00580 -0.00158 0.00434 0.00121 105 2PX -0.01556 0.01644 -0.02124 -0.00019 -0.00642 106 2PY 0.00888 0.01834 0.00078 -0.01980 0.00218 107 2PZ 0.00403 -0.02240 0.01483 -0.00082 0.00550 108 3S -0.00131 -0.00671 -0.00009 -0.00728 0.00314 109 3PX -0.00104 0.01959 -0.01034 -0.00997 -0.00457 110 3PY 0.00791 -0.00144 0.00611 -0.00096 0.00247 111 3PZ 0.00824 -0.02259 0.01129 -0.00260 0.00448 112 4XX 0.00048 -0.00095 0.00073 0.00042 0.00002 113 4YY 0.00091 0.00000 0.00033 -0.00014 0.00001 114 4ZZ -0.00076 0.00059 -0.00107 -0.00012 -0.00011 115 4XY 0.00075 0.00377 0.00101 -0.00331 0.00023 116 4XZ -0.00094 0.00169 -0.00101 -0.00148 -0.00002 117 4YZ -0.00172 -0.00388 -0.00112 0.00305 -0.00021 118 14 O 1S 0.00478 0.00034 0.00292 -0.00037 0.00005 119 2S -0.01174 0.00061 -0.00710 -0.00261 0.00009 120 2PX 0.01339 -0.00598 0.01718 0.00466 0.00284 121 2PY 0.01503 -0.01028 0.00351 0.00626 -0.00057 122 2PZ -0.00939 -0.00676 -0.01291 0.01133 -0.00300 123 3S -0.02206 -0.00577 -0.01076 0.01417 -0.00127 124 3PX 0.00989 -0.00764 0.01268 0.00165 0.00285 125 3PY 0.01202 -0.00555 0.00296 0.00118 -0.00037 126 3PZ -0.00809 -0.00206 -0.01200 0.00636 -0.00270 127 4XX -0.00027 -0.00061 0.00014 -0.00022 0.00027 128 4YY -0.00009 0.00059 -0.00005 -0.00109 0.00006 129 4ZZ 0.00112 0.00155 0.00034 -0.00116 -0.00011 130 4XY -0.00078 -0.00003 -0.00066 0.00012 -0.00012 131 4XZ -0.00042 0.00039 -0.00024 -0.00009 -0.00002 132 4YZ -0.00012 -0.00021 0.00012 0.00030 -0.00002 133 15 C 1S -0.00427 -0.00077 -0.00191 0.00078 0.00004 134 2S 0.00569 0.00092 0.00097 -0.00391 0.00020 135 2PX -0.01578 -0.00104 -0.00453 0.00864 0.00021 136 2PY -0.00789 0.00267 0.00141 0.00227 0.00035 137 2PZ 0.01037 -0.00059 0.00641 0.00421 -0.00101 138 3S 0.00771 0.00509 0.00322 -0.00671 0.00069 139 3PX -0.00050 0.00104 0.00155 0.00250 -0.00030 140 3PY 0.00407 0.00170 0.00207 -0.00056 -0.00023 141 3PZ -0.00685 -0.00525 -0.00533 0.00992 -0.00113 142 4XX -0.00397 -0.00129 -0.00246 0.00156 0.00006 143 4YY -0.00117 0.00005 -0.00051 0.00071 -0.00003 144 4ZZ 0.00503 0.00109 0.00301 -0.00210 -0.00004 145 4XY -0.00072 -0.00172 -0.00061 0.00133 0.00015 146 4XZ 0.00050 -0.00014 -0.00009 -0.00040 -0.00006 147 4YZ 0.00382 0.00104 0.00135 -0.00158 -0.00024 148 16 C 1S 0.00479 0.00166 -0.00191 0.00396 -0.00149 149 2S 0.00189 -0.00231 0.00685 -0.00721 0.00264 150 2PX -0.00879 -0.06593 -0.01520 0.05403 -0.00496 151 2PY -0.00297 -0.01542 -0.00273 0.01961 -0.00346 152 2PZ 0.03432 0.06243 0.01958 -0.05024 0.00291 153 3S 0.00633 0.00810 0.01662 -0.00658 0.00472 154 3PX -0.01131 -0.04891 -0.01405 0.04816 -0.00307 155 3PY -0.00142 -0.01364 -0.00006 0.01789 -0.00193 156 3PZ 0.01276 0.04703 0.01040 -0.03220 0.00247 157 4XX 0.00712 0.00462 0.00312 -0.00457 -0.00044 158 4YY -0.00221 -0.00123 -0.00109 0.00142 0.00004 159 4ZZ -0.00431 -0.00194 -0.00251 0.00257 0.00018 160 4XY -0.00026 0.00166 -0.00187 -0.00108 -0.00038 161 4XZ -0.00174 -0.00304 -0.00075 0.00144 0.00023 162 4YZ 0.00001 -0.00252 0.00115 -0.00021 0.00043 163 17 H 1S -0.01834 -0.00437 -0.01006 0.00827 0.00012 164 2S -0.02969 -0.00959 -0.01784 0.01473 -0.00027 165 18 H 1S 0.02158 0.00373 0.01273 -0.00671 -0.00017 166 2S 0.03436 0.00894 0.02261 -0.01663 0.00052 167 19 O 1S -0.00072 -0.00230 -0.00275 -0.00410 0.00035 168 2S 0.00713 0.00371 0.00817 0.00911 -0.00046 169 2PX 0.06013 0.03304 0.03525 -0.03603 -0.00293 170 2PY 0.03806 -0.01207 0.00555 -0.01762 -0.00032 171 2PZ -0.09375 -0.02385 -0.05511 0.04419 0.00201 172 3S 0.00112 0.00864 0.00729 0.00832 -0.00246 173 3PX 0.04691 0.02864 0.02789 -0.02875 -0.00148 174 3PY 0.02465 -0.00708 0.00347 -0.01326 -0.00033 175 3PZ -0.06962 -0.02555 -0.04139 0.04031 0.00128 176 4XX -0.00102 0.00166 -0.00027 -0.00089 0.00033 177 4YY 0.00234 -0.00115 0.00011 -0.00071 -0.00001 178 4ZZ 0.00015 -0.00189 0.00022 0.00145 -0.00001 179 4XY 0.00189 0.00172 0.00110 -0.00119 -0.00010 180 4XZ 0.00061 -0.00060 0.00050 0.00008 -0.00002 181 4YZ -0.00343 -0.00027 -0.00176 0.00116 0.00021 182 20 H 1S -0.01620 0.00408 0.00732 -0.02954 -0.00244 183 2S -0.01437 0.01446 0.00678 -0.04306 -0.00103 184 21 H 1S -0.00361 -0.00075 -0.00944 0.02497 0.00137 185 2S 0.00097 -0.00617 -0.00179 0.02865 0.00250 186 22 H 1S 0.00326 0.01990 -0.00385 -0.01165 -0.00039 187 2S 0.00517 0.02251 -0.00369 -0.01652 -0.00119 188 23 H 1S -0.01939 -0.02450 -0.00643 0.01187 0.00237 189 2S -0.02509 -0.02492 -0.01125 0.01827 0.00128 71 72 73 74 75 71 4YY 0.00186 72 4ZZ -0.00073 0.00145 73 4XY -0.00013 0.00035 0.00042 74 4XZ -0.00039 0.00006 -0.00009 0.00069 75 4YZ 0.00011 0.00004 0.00027 -0.00008 0.00065 76 6 C 1S 0.00153 0.00017 0.00334 -0.00415 0.00299 77 2S -0.00338 -0.00118 -0.00665 0.00766 -0.00599 78 2PX -0.00154 0.00180 -0.00346 0.00321 -0.00806 79 2PY 0.01234 -0.00099 -0.00259 -0.00661 -0.00166 80 2PZ -0.00144 -0.01328 -0.00806 0.00046 -0.00179 81 3S -0.00596 0.00226 -0.00401 0.00598 -0.00437 82 3PX -0.00072 0.00471 0.00042 0.00115 -0.00323 83 3PY 0.00312 0.00133 0.00006 -0.00283 0.00034 84 3PZ -0.00082 -0.00632 -0.00233 -0.00064 0.00096 85 4XX -0.00024 0.00025 0.00028 -0.00009 0.00001 86 4YY 0.00096 -0.00037 -0.00009 -0.00031 0.00002 87 4ZZ -0.00047 0.00030 0.00028 0.00010 0.00044 88 4XY -0.00024 0.00056 0.00027 0.00010 0.00010 89 4XZ -0.00056 0.00018 -0.00003 0.00045 0.00005 90 4YZ -0.00029 0.00043 0.00026 -0.00003 0.00013 91 7 H 1S -0.00257 0.00002 0.00085 0.00030 0.00058 92 2S -0.00387 -0.00050 0.00037 0.00117 0.00017 93 8 H 1S 0.00086 -0.00008 -0.00059 -0.00023 0.00041 94 2S 0.00150 -0.00030 -0.00078 -0.00062 0.00057 95 9 H 1S -0.00155 0.00123 -0.00019 -0.00082 -0.00098 96 2S -0.00211 0.00239 -0.00041 -0.00093 -0.00075 97 10 H 1S -0.00287 0.00115 -0.00002 0.00707 -0.00220 98 2S -0.00199 -0.00220 -0.00147 0.00574 -0.00327 99 11 H 1S 0.01671 -0.00993 -0.00154 -0.00194 0.00170 100 2S 0.01588 -0.00874 -0.00135 -0.00309 0.00104 101 12 H 1S -0.00535 0.00632 0.00349 0.00387 0.00211 102 2S -0.00515 0.00695 0.00520 0.00176 0.00393 103 13 C 1S -0.00011 0.00057 -0.00027 0.00026 0.00015 104 2S 0.00040 -0.00090 0.00041 -0.00034 -0.00011 105 2PX 0.00097 0.00319 -0.00142 0.00302 0.00055 106 2PY -0.00126 -0.00002 -0.00056 -0.00109 0.00046 107 2PZ -0.00060 -0.00255 0.00099 -0.00228 -0.00052 108 3S 0.00159 -0.00306 0.00029 -0.00172 -0.00055 109 3PX 0.00070 0.00203 -0.00087 0.00155 0.00013 110 3PY -0.00134 -0.00063 0.00000 -0.00055 0.00041 111 3PZ -0.00045 -0.00256 0.00032 -0.00176 -0.00045 112 4XX -0.00003 -0.00003 -0.00001 -0.00002 -0.00004 113 4YY 0.00000 -0.00004 0.00001 -0.00003 -0.00001 114 4ZZ 0.00000 0.00012 -0.00007 0.00008 0.00007 115 4XY -0.00013 0.00002 0.00010 -0.00023 -0.00004 116 4XZ -0.00001 0.00009 -0.00005 -0.00002 0.00000 117 4YZ 0.00009 0.00009 -0.00009 0.00015 0.00003 118 14 O 1S -0.00013 -0.00024 0.00001 -0.00001 -0.00001 119 2S 0.00025 0.00047 -0.00007 -0.00013 -0.00003 120 2PX -0.00074 -0.00252 0.00087 -0.00149 -0.00036 121 2PY 0.00051 -0.00016 0.00024 0.00050 0.00001 122 2PZ 0.00126 0.00186 -0.00054 0.00179 0.00037 123 3S 0.00029 0.00151 0.00019 0.00050 0.00001 124 3PX -0.00057 -0.00228 0.00059 -0.00134 -0.00031 125 3PY 0.00046 -0.00020 0.00018 0.00030 -0.00001 126 3PZ 0.00101 0.00155 -0.00056 0.00155 0.00033 127 4XX -0.00002 -0.00012 0.00002 -0.00009 0.00000 128 4YY -0.00002 -0.00004 -0.00003 -0.00004 -0.00001 129 4ZZ -0.00001 0.00003 -0.00002 0.00003 0.00001 130 4XY 0.00005 0.00008 -0.00001 0.00007 0.00001 131 4XZ 0.00001 0.00002 0.00000 0.00001 0.00000 132 4YZ 0.00000 -0.00004 0.00001 0.00002 -0.00002 133 15 C 1S 0.00013 0.00003 -0.00003 0.00016 -0.00007 134 2S -0.00018 0.00009 -0.00003 -0.00059 0.00011 135 2PX 0.00006 -0.00010 0.00012 0.00040 -0.00005 136 2PY -0.00002 -0.00026 -0.00017 0.00029 -0.00002 137 2PZ 0.00037 0.00014 -0.00013 0.00018 0.00016 138 3S -0.00020 -0.00002 0.00016 -0.00113 0.00013 139 3PX -0.00012 0.00010 0.00009 0.00002 -0.00009 140 3PY 0.00008 -0.00009 -0.00006 0.00014 0.00004 141 3PZ 0.00041 0.00051 -0.00026 0.00024 0.00028 142 4XX 0.00002 0.00004 -0.00004 0.00007 0.00002 143 4YY 0.00002 0.00002 0.00003 -0.00003 0.00000 144 4ZZ -0.00004 -0.00008 0.00001 0.00000 -0.00001 145 4XY -0.00002 -0.00010 0.00001 -0.00004 -0.00001 146 4XZ 0.00002 0.00001 -0.00002 0.00002 0.00000 147 4YZ 0.00002 0.00009 0.00000 0.00009 0.00001 148 16 C 1S 0.00012 -0.00031 -0.00016 0.00082 0.00007 149 2S -0.00134 -0.00051 0.00064 -0.00233 -0.00042 150 2PX 0.00229 0.00005 -0.00256 0.00541 0.00117 151 2PY 0.00230 -0.00012 0.00041 0.00262 -0.00042 152 2PZ -0.00079 -0.00138 0.00185 -0.00200 -0.00099 153 3S -0.00364 -0.00023 0.00142 -0.00285 0.00038 154 3PX 0.00184 -0.00015 -0.00135 0.00369 0.00132 155 3PY -0.00001 0.00089 0.00003 0.00203 0.00012 156 3PZ -0.00113 -0.00026 0.00168 -0.00204 0.00000 157 4XX 0.00003 0.00011 -0.00002 0.00022 -0.00008 158 4YY 0.00015 -0.00007 0.00001 -0.00004 0.00001 159 4ZZ -0.00003 0.00003 -0.00004 -0.00003 0.00010 160 4XY 0.00013 0.00018 -0.00002 0.00006 -0.00001 161 4XZ -0.00003 -0.00010 -0.00009 -0.00003 0.00000 162 4YZ -0.00015 -0.00011 0.00003 -0.00023 -0.00001 163 17 H 1S 0.00009 0.00020 -0.00012 0.00031 0.00004 164 2S 0.00042 0.00041 -0.00035 0.00087 0.00012 165 18 H 1S -0.00012 -0.00023 0.00000 -0.00017 -0.00002 166 2S -0.00042 -0.00084 0.00028 -0.00005 -0.00029 167 19 O 1S 0.00017 0.00016 0.00005 -0.00011 0.00000 168 2S -0.00051 -0.00055 -0.00017 0.00025 0.00013 169 2PX 0.00016 0.00088 0.00094 0.00017 -0.00009 170 2PY 0.00000 0.00000 -0.00031 0.00046 -0.00005 171 2PZ 0.00057 0.00045 0.00014 -0.00175 0.00007 172 3S 0.00011 0.00027 -0.00047 0.00070 -0.00070 173 3PX -0.00020 0.00035 0.00083 -0.00011 0.00009 174 3PY 0.00005 0.00008 -0.00030 0.00019 -0.00017 175 3PZ 0.00055 0.00015 -0.00014 -0.00076 0.00036 176 4XX -0.00011 -0.00007 0.00008 -0.00020 0.00001 177 4YY 0.00002 -0.00005 -0.00002 0.00001 0.00004 178 4ZZ -0.00003 -0.00002 -0.00004 0.00007 0.00006 179 4XY -0.00001 0.00005 0.00003 -0.00002 0.00002 180 4XZ -0.00003 0.00000 -0.00003 -0.00005 0.00000 181 4YZ -0.00004 0.00000 0.00003 -0.00017 0.00002 182 20 H 1S -0.00242 0.00811 -0.00106 -0.00401 -0.00144 183 2S -0.00166 0.00535 -0.00102 -0.00503 -0.00280 184 21 H 1S -0.00100 -0.00013 -0.00010 0.00069 -0.00105 185 2S -0.00203 -0.00038 0.00006 0.00099 -0.00117 186 22 H 1S -0.00023 0.00048 -0.00024 0.00001 0.00028 187 2S -0.00023 0.00102 -0.00025 0.00013 0.00010 188 23 H 1S -0.00130 0.00016 -0.00041 -0.00177 0.00041 189 2S -0.00061 0.00053 -0.00025 -0.00071 0.00067 76 77 78 79 80 76 6 C 1S 2.05271 77 2S -0.06213 0.32496 78 2PX 0.00133 0.00226 0.36897 79 2PY 0.00053 0.00162 0.00011 0.41335 80 2PZ -0.00083 0.00777 0.03333 -0.00266 0.39022 81 3S -0.16067 0.24765 -0.01951 0.01123 -0.02947 82 3PX 0.00664 -0.02276 0.18139 0.01273 -0.07523 83 3PY 0.00378 -0.01621 0.01321 0.13842 -0.02578 84 3PZ 0.00494 -0.01459 -0.05968 -0.00572 0.16792 85 4XX -0.01431 -0.00947 0.00800 -0.00593 -0.00344 86 4YY -0.01700 -0.00308 -0.00427 0.01307 -0.00039 87 4ZZ -0.01612 -0.00535 -0.00689 -0.01026 -0.00257 88 4XY -0.00088 0.00123 -0.00498 0.00025 -0.01075 89 4XZ -0.00455 0.00944 -0.00068 -0.00920 -0.00219 90 4YZ -0.00203 0.00342 -0.00949 -0.00195 -0.01031 91 7 H 1S 0.01228 -0.02562 0.01875 -0.04295 0.01318 92 2S 0.01464 -0.02568 0.03388 -0.08634 0.03936 93 8 H 1S -0.00849 0.01865 0.00146 0.03521 0.00130 94 2S -0.01195 0.02528 0.01056 0.06878 0.00305 95 9 H 1S -0.00059 0.00017 0.00193 0.00229 -0.00060 96 2S -0.00092 -0.00024 0.00532 0.00698 -0.00760 97 10 H 1S -0.00759 0.01927 0.00233 -0.01533 0.03244 98 2S -0.01116 0.02904 -0.00205 -0.02105 0.07096 99 11 H 1S 0.01211 -0.02454 -0.02454 0.03576 -0.01200 100 2S 0.01361 -0.02472 -0.04780 0.07143 -0.01045 101 12 H 1S -0.06016 0.11224 -0.13267 -0.13074 -0.18748 102 2S -0.01303 0.02496 -0.12153 -0.11783 -0.18086 103 13 C 1S -0.00069 0.00137 0.01089 0.00262 -0.00738 104 2S 0.00058 -0.00173 -0.02272 -0.00401 0.01701 105 2PX -0.00297 0.00820 0.07780 0.01576 -0.05629 106 2PY -0.00009 -0.00136 -0.01162 -0.00430 0.01176 107 2PZ 0.00128 -0.00391 -0.05906 -0.01022 0.04328 108 3S 0.00390 -0.00677 -0.05255 -0.01291 0.03694 109 3PX -0.00129 0.00638 0.05985 0.01205 -0.04004 110 3PY -0.00151 0.00182 -0.02886 -0.00197 0.02420 111 3PZ 0.00188 -0.00093 -0.04678 -0.01428 0.04463 112 4XX -0.00022 0.00029 0.00077 0.00019 0.00000 113 4YY -0.00006 0.00020 -0.00040 0.00036 0.00041 114 4ZZ -0.00029 0.00039 0.00168 0.00028 -0.00081 115 4XY 0.00007 -0.00073 -0.00112 -0.00003 -0.00003 116 4XZ -0.00015 0.00017 0.00113 0.00034 -0.00070 117 4YZ -0.00021 0.00063 0.00166 0.00047 -0.00061 118 14 O 1S 0.00003 0.00038 -0.00239 -0.00041 0.00198 119 2S 0.00010 -0.00105 0.00425 0.00032 -0.00298 120 2PX 0.00146 -0.00392 -0.04302 -0.00710 0.03015 121 2PY 0.00082 0.00067 0.00103 -0.00082 -0.00200 122 2PZ -0.00083 0.00297 0.03259 0.00411 -0.02205 123 3S -0.00062 -0.00216 0.01711 0.00387 -0.01806 124 3PX 0.00134 -0.00261 -0.03878 -0.00824 0.03032 125 3PY 0.00076 0.00013 0.00031 -0.00031 -0.00157 126 3PZ -0.00103 0.00346 0.03012 0.00421 -0.01983 127 4XX 0.00009 -0.00010 -0.00275 -0.00069 0.00236 128 4YY 0.00004 0.00005 -0.00045 -0.00012 0.00073 129 4ZZ 0.00015 -0.00011 0.00128 -0.00009 -0.00096 130 4XY -0.00003 0.00009 0.00141 0.00026 -0.00123 131 4XZ 0.00002 -0.00004 0.00042 0.00002 -0.00035 132 4YZ -0.00002 0.00009 -0.00003 0.00013 0.00002 133 15 C 1S -0.00034 0.00050 0.00186 -0.00057 -0.00048 134 2S 0.00067 -0.00179 -0.00524 0.00022 0.00168 135 2PX -0.00090 0.00227 0.00497 -0.00063 -0.00143 136 2PY -0.00109 0.00156 0.00104 -0.00156 0.00200 137 2PZ 0.00032 0.00002 0.00697 0.00135 -0.00802 138 3S 0.00165 -0.00332 -0.01102 0.00436 0.00234 139 3PX 0.00030 -0.00055 0.00236 -0.00139 -0.00356 140 3PY -0.00028 0.00057 0.00142 -0.00024 -0.00167 141 3PZ -0.00027 0.00123 0.01152 0.00191 -0.00961 142 4XX -0.00023 0.00067 0.00161 -0.00012 -0.00048 143 4YY 0.00009 -0.00031 -0.00023 0.00001 0.00004 144 4ZZ 0.00007 -0.00029 -0.00126 -0.00012 0.00031 145 4XY -0.00002 0.00031 -0.00120 -0.00028 0.00135 146 4XZ -0.00003 0.00015 0.00061 0.00025 -0.00047 147 4YZ 0.00011 -0.00011 0.00132 0.00029 -0.00148 148 16 C 1S -0.00178 0.00269 0.00919 0.00007 -0.00379 149 2S 0.00265 -0.00452 -0.02100 0.00007 0.01060 150 2PX -0.00503 0.01912 0.03137 0.00231 -0.00562 151 2PY -0.00170 0.00504 0.01827 0.00155 -0.01159 152 2PZ 0.00224 -0.00609 -0.00582 -0.00213 -0.00874 153 3S 0.00362 -0.01131 -0.05395 0.00009 0.02764 154 3PX -0.00660 0.01009 0.00585 0.00333 0.00107 155 3PY -0.00256 0.00680 0.01974 -0.00114 -0.01112 156 3PZ 0.00154 -0.01149 -0.02471 -0.00222 -0.00968 157 4XX -0.00079 0.00083 0.00598 0.00039 -0.00412 158 4YY -0.00013 -0.00023 -0.00212 0.00021 0.00109 159 4ZZ -0.00029 0.00012 -0.00135 0.00021 0.00082 160 4XY 0.00016 -0.00026 0.00433 0.00101 -0.00386 161 4XZ -0.00048 0.00093 -0.00196 -0.00047 0.00187 162 4YZ 0.00029 -0.00044 -0.00517 -0.00091 0.00430 163 17 H 1S -0.00094 0.00273 0.00763 0.00022 -0.00253 164 2S -0.00200 0.00547 0.01682 0.00112 -0.00554 165 18 H 1S 0.00063 -0.00138 -0.00488 -0.00007 0.00086 166 2S 0.00066 -0.00226 -0.01326 -0.00431 0.00874 167 19 O 1S 0.00025 -0.00139 -0.00322 0.00047 0.00087 168 2S -0.00129 0.00317 0.00263 -0.00153 0.00027 169 2PX 0.00317 -0.01246 -0.00852 0.00184 -0.00689 170 2PY 0.00082 0.00223 0.00006 0.00070 -0.00067 171 2PZ -0.00062 0.00105 0.00173 0.00194 0.00446 172 3S 0.00114 0.00790 0.03874 -0.00181 -0.01430 173 3PX 0.00189 -0.01050 -0.01370 0.00021 -0.00372 174 3PY 0.00093 0.00179 0.00430 0.00012 -0.00182 175 3PZ -0.00173 0.00208 -0.00205 0.00177 0.00526 176 4XX -0.00008 -0.00055 -0.00230 -0.00019 0.00099 177 4YY -0.00033 -0.00005 -0.00142 -0.00003 0.00070 178 4ZZ -0.00035 0.00000 -0.00131 -0.00040 0.00115 179 4XY 0.00003 -0.00064 -0.00059 0.00017 -0.00032 180 4XZ 0.00017 0.00006 0.00018 -0.00001 0.00009 181 4YZ -0.00007 -0.00021 -0.00132 -0.00016 0.00089 182 20 H 1S 0.00157 -0.00346 0.02933 0.00309 -0.02865 183 2S 0.00141 -0.00404 0.02931 -0.00014 -0.02535 184 21 H 1S -0.00137 0.00184 -0.00285 -0.00018 0.00657 185 2S -0.00228 0.00336 -0.01502 -0.00379 0.01956 186 22 H 1S 0.00040 -0.00107 0.00591 -0.00079 -0.00432 187 2S 0.00059 -0.00059 0.02535 -0.00062 -0.01693 188 23 H 1S 0.00083 -0.00296 -0.02682 -0.00212 0.02058 189 2S 0.00005 -0.00132 -0.01967 -0.00411 0.00494 81 82 83 84 85 81 3S 0.25008 82 3PX -0.00530 0.11998 83 3PY 0.00772 0.02130 0.06236 84 3PZ -0.01273 -0.06577 -0.01395 0.09329 85 4XX -0.00562 0.00526 0.00006 -0.00248 0.00092 86 4YY -0.00311 -0.00157 0.00297 0.00079 -0.00023 87 4ZZ -0.00246 -0.00264 -0.00301 0.00047 0.00022 88 4XY 0.00261 0.00016 -0.00037 -0.00330 -0.00019 89 4XZ 0.00814 -0.00041 -0.00261 -0.00111 -0.00007 90 4YZ 0.00706 -0.00159 0.00073 -0.00212 0.00003 91 7 H 1S -0.06039 -0.00249 -0.01989 -0.00279 0.00081 92 2S -0.06761 -0.00573 -0.03824 0.00226 0.00160 93 8 H 1S 0.05609 0.00089 0.03258 -0.00069 -0.00029 94 2S 0.06422 0.00666 0.04800 -0.00210 -0.00007 95 9 H 1S 0.01949 0.00704 0.01407 0.00038 0.00055 96 2S 0.02802 0.01616 0.02154 -0.00396 0.00080 97 10 H 1S 0.01769 -0.00668 -0.02873 0.01867 -0.00089 98 2S 0.02302 -0.01669 -0.03782 0.03879 -0.00252 99 11 H 1S -0.06200 -0.01712 0.00229 -0.00667 -0.00145 100 2S -0.05922 -0.02896 0.00593 -0.00120 -0.00308 101 12 H 1S 0.11509 -0.03242 -0.03911 -0.05972 -0.00192 102 2S 0.05423 -0.01789 -0.02557 -0.05144 0.00069 103 13 C 1S 0.00207 0.00807 0.00240 -0.00513 -0.00017 104 2S 0.00405 -0.01432 -0.00315 0.01321 0.00011 105 2PX 0.03490 0.07598 0.02113 -0.03844 -0.00104 106 2PY -0.00095 -0.01105 0.00159 0.01328 0.00105 107 2PZ -0.02182 -0.05767 -0.01044 0.03310 0.00011 108 3S -0.01672 -0.04058 -0.01632 0.02603 0.00024 109 3PX 0.01873 0.05287 0.01492 -0.03147 0.00003 110 3PY 0.00030 -0.02554 0.00055 0.01794 0.00019 111 3PZ -0.02369 -0.04984 -0.01446 0.02776 -0.00002 112 4XX -0.00099 -0.00035 -0.00038 0.00045 -0.00005 113 4YY -0.00034 -0.00066 0.00015 -0.00027 0.00002 114 4ZZ 0.00145 0.00194 0.00056 -0.00077 -0.00002 115 4XY 0.00062 -0.00072 0.00100 0.00075 0.00027 116 4XZ 0.00230 0.00173 0.00120 0.00001 0.00005 117 4YZ 0.00015 0.00124 -0.00023 -0.00098 -0.00026 118 14 O 1S -0.00543 -0.00314 -0.00232 0.00044 0.00000 119 2S 0.01365 0.00674 0.00621 0.00084 0.00009 120 2PX -0.02271 -0.04386 -0.01548 0.02318 0.00031 121 2PY -0.01673 -0.00767 -0.00396 -0.01234 0.00001 122 2PZ 0.01044 0.03157 0.00332 -0.02613 -0.00068 123 3S 0.01897 0.01955 0.00641 -0.00832 -0.00044 124 3PX -0.01852 -0.03920 -0.01307 0.02231 0.00021 125 3PY -0.01304 -0.00583 -0.00226 -0.00876 0.00012 126 3PZ 0.01211 0.02957 0.00470 -0.02175 -0.00053 127 4XX -0.00048 -0.00241 -0.00063 0.00160 0.00002 128 4YY 0.00033 -0.00017 0.00018 0.00089 0.00002 129 4ZZ -0.00012 0.00105 0.00029 -0.00081 0.00007 130 4XY 0.00098 0.00170 0.00061 -0.00083 -0.00003 131 4XZ 0.00059 0.00058 0.00016 -0.00001 0.00001 132 4YZ 0.00005 -0.00005 -0.00005 0.00032 -0.00003 133 15 C 1S 0.00279 0.00243 -0.00033 -0.00011 -0.00014 134 2S -0.00557 -0.00495 0.00172 0.00178 0.00027 135 2PX 0.01185 0.00675 -0.00378 -0.00028 -0.00038 136 2PY 0.00972 0.00404 -0.00215 0.00347 -0.00024 137 2PZ -0.00517 0.00460 0.00089 -0.00843 -0.00017 138 3S -0.00761 -0.00954 0.00351 0.00352 0.00052 139 3PX 0.00088 0.00233 -0.00134 -0.00239 0.00000 140 3PY -0.00171 0.00068 -0.00043 -0.00243 0.00004 141 3PZ 0.00308 0.01175 0.00035 -0.00791 -0.00057 142 4XX 0.00205 0.00194 -0.00033 -0.00015 -0.00011 143 4YY 0.00078 0.00019 -0.00022 0.00015 0.00000 144 4ZZ -0.00281 -0.00202 0.00042 -0.00013 0.00010 145 4XY -0.00118 -0.00160 -0.00109 0.00084 -0.00006 146 4XZ -0.00047 0.00030 0.00028 -0.00039 -0.00001 147 4YZ -0.00189 0.00040 0.00074 -0.00206 0.00009 148 16 C 1S 0.00660 0.00950 -0.00149 -0.00354 -0.00071 149 2S -0.01526 -0.02240 0.00030 0.00661 0.00088 150 2PX -0.01134 0.02165 -0.01372 -0.02091 -0.00527 151 2PY 0.00914 0.01859 -0.00229 -0.01558 -0.00107 152 2PZ -0.00462 -0.01002 0.00721 0.00057 0.00439 153 3S -0.00266 -0.04284 0.01054 0.02490 0.00169 154 3PX -0.00190 0.00789 -0.00921 -0.00564 -0.00394 155 3PY 0.00725 0.01495 -0.00064 -0.01187 -0.00085 156 3PZ 0.00412 -0.01272 0.00996 0.00643 0.00308 157 4XX -0.00147 0.00315 0.00123 -0.00385 0.00026 158 4YY 0.00113 -0.00074 -0.00027 0.00119 -0.00010 159 4ZZ 0.00123 -0.00018 -0.00052 0.00131 -0.00016 160 4XY 0.00143 0.00423 0.00158 -0.00243 0.00005 161 4XZ -0.00108 -0.00206 -0.00124 0.00098 -0.00017 162 4YZ -0.00187 -0.00491 -0.00049 0.00297 -0.00001 163 17 H 1S 0.01089 0.00929 -0.00200 -0.00085 -0.00050 164 2S 0.01796 0.01860 -0.00258 -0.00354 -0.00101 165 18 H 1S -0.01206 -0.00794 0.00186 -0.00143 0.00039 166 2S -0.01737 -0.01862 0.00056 0.00370 0.00096 167 19 O 1S 0.00079 -0.00142 0.00426 0.00192 0.00007 168 2S -0.00745 -0.00210 -0.00988 -0.00330 -0.00017 169 2PX -0.01266 -0.00816 0.01627 -0.00863 0.00235 170 2PY -0.03844 -0.01578 0.00470 -0.01122 0.00047 171 2PZ 0.04570 0.02053 -0.00925 0.01853 -0.00184 172 3S 0.00169 0.02453 -0.01276 -0.01834 -0.00011 173 3PX -0.01066 -0.01122 0.01247 -0.00387 0.00200 174 3PY -0.02535 -0.00766 0.00281 -0.00921 0.00036 175 3PZ 0.03136 0.01284 -0.00864 0.01389 -0.00202 176 4XX 0.00069 -0.00147 0.00013 0.00156 0.00013 177 4YY -0.00216 -0.00173 0.00044 0.00007 0.00000 178 4ZZ -0.00044 -0.00103 -0.00032 0.00067 -0.00012 179 4XY 0.00004 -0.00020 0.00066 -0.00002 0.00009 180 4XZ -0.00101 -0.00032 -0.00012 -0.00034 -0.00002 181 4YZ 0.00163 -0.00030 -0.00037 0.00151 -0.00002 182 20 H 1S -0.01229 0.01935 0.00435 -0.03018 0.00081 183 2S -0.01121 0.01789 0.00455 -0.02564 0.00164 184 21 H 1S 0.02056 0.00050 -0.00488 0.01533 -0.00054 185 2S 0.01847 -0.01193 -0.00768 0.02317 -0.00055 186 22 H 1S 0.00813 0.00939 0.00345 -0.00179 0.00094 187 2S 0.00617 0.02183 0.00527 -0.01227 0.00117 188 23 H 1S -0.00649 -0.02163 -0.00339 0.01689 -0.00102 189 2S -0.00201 -0.01156 -0.00512 0.00920 -0.00139 86 87 88 89 90 86 4YY 0.00114 87 4ZZ -0.00019 0.00089 88 4XY 0.00000 0.00032 0.00095 89 4XZ -0.00048 0.00026 0.00017 0.00067 90 4YZ -0.00014 0.00011 0.00042 0.00028 0.00117 91 7 H 1S 0.00186 0.00079 -0.00512 -0.00002 -0.00716 92 2S -0.00151 0.00192 -0.00529 0.00048 -0.00783 93 8 H 1S -0.00127 -0.00082 -0.00167 -0.00028 -0.00090 94 2S -0.00118 -0.00192 -0.00249 -0.00048 -0.00055 95 9 H 1S 0.00013 -0.00008 0.00000 0.00035 0.00131 96 2S 0.00006 -0.00013 -0.00028 0.00060 0.00304 97 10 H 1S 0.00033 -0.00156 -0.00015 -0.00073 -0.00083 98 2S 0.00077 -0.00124 -0.00045 -0.00081 -0.00265 99 11 H 1S 0.00806 -0.00273 -0.00411 -0.00313 -0.00349 100 2S 0.00889 -0.00329 -0.00215 -0.00474 -0.00262 101 12 H 1S -0.00407 0.00550 0.00785 0.00828 0.01087 102 2S -0.00362 0.00647 0.00774 0.00608 0.01062 103 13 C 1S -0.00007 -0.00009 0.00015 0.00014 -0.00012 104 2S 0.00011 0.00012 -0.00040 -0.00022 0.00031 105 2PX 0.00086 0.00078 0.00033 0.00094 -0.00042 106 2PY -0.00089 -0.00044 -0.00083 0.00027 0.00109 107 2PZ -0.00024 -0.00055 0.00062 -0.00048 -0.00030 108 3S 0.00068 -0.00088 -0.00199 -0.00100 0.00083 109 3PX 0.00029 0.00002 -0.00069 0.00051 0.00006 110 3PY -0.00078 0.00009 -0.00034 0.00015 0.00064 111 3PZ -0.00031 -0.00039 -0.00057 -0.00056 -0.00063 112 4XX 0.00003 -0.00002 0.00023 0.00002 -0.00018 113 4YY 0.00000 -0.00001 -0.00009 -0.00003 0.00004 114 4ZZ -0.00001 0.00004 -0.00008 0.00004 0.00003 115 4XY -0.00012 -0.00015 -0.00017 0.00000 0.00028 116 4XZ -0.00001 -0.00003 -0.00010 0.00003 0.00011 117 4YZ 0.00010 0.00014 0.00022 -0.00001 -0.00028 118 14 O 1S -0.00004 0.00000 -0.00015 -0.00004 0.00002 119 2S 0.00004 -0.00011 0.00016 0.00009 0.00007 120 2PX -0.00041 -0.00058 0.00003 -0.00051 -0.00033 121 2PY 0.00024 0.00028 0.00001 -0.00026 -0.00006 122 2PZ 0.00034 0.00066 -0.00025 0.00007 -0.00020 123 3S 0.00028 0.00054 0.00178 0.00022 -0.00067 124 3PX -0.00031 -0.00046 -0.00025 -0.00043 -0.00026 125 3PY 0.00018 0.00004 -0.00020 -0.00024 0.00007 126 3PZ 0.00030 0.00051 -0.00043 0.00015 -0.00008 127 4XX -0.00002 -0.00001 -0.00007 -0.00002 0.00004 128 4YY -0.00002 -0.00004 -0.00007 0.00000 0.00003 129 4ZZ -0.00002 -0.00003 -0.00009 0.00001 0.00008 130 4XY 0.00003 0.00003 0.00002 0.00002 0.00001 131 4XZ 0.00000 0.00000 0.00001 0.00001 0.00001 132 4YZ 0.00002 0.00000 0.00006 0.00000 -0.00005 133 15 C 1S -0.00001 -0.00005 0.00008 0.00009 -0.00010 134 2S -0.00017 0.00000 -0.00016 -0.00011 0.00026 135 2PX 0.00030 0.00020 0.00013 0.00023 -0.00037 136 2PY -0.00004 -0.00020 -0.00006 0.00024 -0.00019 137 2PZ 0.00010 0.00011 0.00029 0.00014 -0.00024 138 3S -0.00031 -0.00026 -0.00027 -0.00021 0.00048 139 3PX -0.00001 0.00012 0.00013 0.00011 -0.00014 140 3PY 0.00003 -0.00003 -0.00009 0.00008 0.00011 141 3PZ 0.00029 0.00067 0.00046 0.00021 -0.00057 142 4XX 0.00009 0.00013 0.00005 0.00004 -0.00009 143 4YY -0.00002 0.00000 -0.00001 -0.00002 -0.00002 144 4ZZ -0.00006 -0.00011 -0.00004 -0.00001 0.00009 145 4XY 0.00004 0.00008 0.00006 -0.00002 -0.00010 146 4XZ 0.00002 0.00001 0.00002 0.00000 -0.00001 147 4YZ -0.00003 -0.00004 -0.00007 -0.00001 0.00012 148 16 C 1S 0.00004 -0.00029 0.00017 0.00039 -0.00066 149 2S -0.00016 0.00024 -0.00053 -0.00088 0.00094 150 2PX 0.00263 0.00290 0.00297 0.00048 -0.00435 151 2PY 0.00085 0.00015 0.00044 0.00018 -0.00114 152 2PZ -0.00130 -0.00243 -0.00268 0.00039 0.00363 153 3S -0.00170 0.00040 -0.00083 -0.00036 0.00243 154 3PX 0.00184 0.00224 0.00266 0.00043 -0.00313 155 3PY -0.00011 0.00089 0.00134 0.00057 -0.00123 156 3PZ -0.00116 -0.00129 -0.00150 0.00028 0.00358 157 4XX -0.00010 -0.00022 -0.00008 0.00007 0.00014 158 4YY 0.00008 0.00001 0.00001 -0.00004 -0.00004 159 4ZZ 0.00007 0.00017 0.00011 0.00001 -0.00009 160 4XY 0.00004 -0.00002 -0.00003 0.00000 0.00001 161 4XZ 0.00010 0.00012 0.00007 -0.00003 -0.00009 162 4YZ -0.00007 0.00000 0.00001 -0.00008 0.00002 163 17 H 1S 0.00037 0.00047 0.00021 0.00017 -0.00044 164 2S 0.00070 0.00082 0.00047 0.00027 -0.00086 165 18 H 1S -0.00023 -0.00041 -0.00014 -0.00006 0.00038 166 2S -0.00051 -0.00114 -0.00053 -0.00017 0.00089 167 19 O 1S -0.00006 -0.00013 0.00001 -0.00007 0.00018 168 2S 0.00022 0.00056 0.00003 0.00008 -0.00030 169 2PX -0.00167 -0.00253 -0.00170 -0.00035 0.00253 170 2PY 0.00014 0.00020 -0.00006 -0.00047 0.00051 171 2PZ 0.00100 0.00209 0.00139 0.00009 -0.00235 172 3S 0.00019 0.00009 -0.00011 0.00016 -0.00123 173 3PX -0.00128 -0.00180 -0.00141 -0.00017 0.00239 174 3PY 0.00012 0.00005 -0.00014 -0.00034 0.00031 175 3PZ 0.00108 0.00199 0.00138 0.00012 -0.00209 176 4XX -0.00005 -0.00002 -0.00009 0.00000 0.00014 177 4YY 0.00002 0.00003 0.00000 -0.00002 0.00005 178 4ZZ 0.00001 0.00007 0.00009 0.00001 -0.00008 179 4XY -0.00007 -0.00009 -0.00006 0.00000 0.00010 180 4XZ 0.00001 0.00003 0.00001 -0.00002 -0.00002 181 4YZ 0.00000 0.00006 0.00002 0.00001 -0.00002 182 20 H 1S -0.00014 -0.00072 -0.00062 -0.00133 0.00077 183 2S -0.00013 -0.00169 -0.00141 -0.00151 0.00146 184 21 H 1S -0.00031 0.00069 0.00159 0.00023 -0.00150 185 2S -0.00064 0.00071 0.00181 0.00036 -0.00143 186 22 H 1S -0.00043 -0.00017 -0.00129 0.00016 0.00121 187 2S -0.00052 -0.00024 -0.00125 0.00024 0.00070 188 23 H 1S 0.00002 0.00110 0.00076 -0.00068 -0.00057 189 2S 0.00026 0.00140 0.00166 -0.00025 -0.00089 91 92 93 94 95 91 7 H 1S 0.21693 92 2S 0.17899 0.17164 93 8 H 1S -0.02289 -0.02724 0.21714 94 2S -0.02758 -0.03410 0.17586 0.16496 95 9 H 1S -0.00882 -0.02287 -0.01340 -0.00728 0.21593 96 2S -0.02135 -0.03821 -0.01059 -0.00005 0.16994 97 10 H 1S 0.00342 0.01033 -0.00724 -0.01829 -0.02780 98 2S 0.00712 0.01814 -0.01153 -0.02512 -0.03452 99 11 H 1S -0.00941 -0.01833 0.00159 -0.00152 -0.00724 100 2S -0.02008 -0.02682 -0.00152 -0.00431 -0.01829 101 12 H 1S -0.02222 -0.02568 -0.00941 -0.02008 0.00342 102 2S -0.02568 -0.03291 -0.01833 -0.02682 0.01033 103 13 C 1S -0.00015 -0.00151 0.00408 0.00292 0.00211 104 2S -0.00040 0.00010 -0.00634 -0.00297 -0.00547 105 2PX -0.00505 -0.01516 0.01726 0.02258 0.01757 106 2PY 0.00069 0.00607 -0.01446 -0.01732 -0.00282 107 2PZ 0.00682 0.00957 -0.00486 -0.01181 -0.01902 108 3S 0.00376 0.00975 -0.02949 -0.02847 -0.00477 109 3PX -0.00141 -0.00671 0.01402 0.01788 0.02014 110 3PY -0.00193 0.00048 0.00486 0.00478 -0.00649 111 3PZ 0.01246 0.01872 -0.00815 -0.01338 -0.01303 112 4XX 0.00035 0.00029 0.00033 -0.00067 -0.00031 113 4YY -0.00008 -0.00018 0.00113 0.00161 0.00002 114 4ZZ 0.00003 0.00021 -0.00055 -0.00050 0.00078 115 4XY 0.00004 -0.00046 -0.00137 -0.00017 0.00019 116 4XZ 0.00002 -0.00056 -0.00012 0.00046 -0.00020 117 4YZ 0.00023 0.00024 0.00127 0.00062 -0.00044 118 14 O 1S 0.00019 0.00148 0.00030 -0.00252 0.00248 119 2S 0.00028 -0.00270 -0.00116 0.00539 -0.00571 120 2PX 0.00315 0.00741 0.00314 -0.00053 0.00293 121 2PY 0.00017 0.00120 -0.00246 0.00904 -0.00146 122 2PZ -0.00405 -0.00151 -0.00083 -0.00038 -0.00480 123 3S -0.00398 -0.00955 0.00162 0.01044 -0.01333 124 3PX 0.00455 0.00836 0.00071 -0.00212 -0.00015 125 3PY 0.00079 0.00169 -0.00217 0.00531 0.00175 126 3PZ -0.00269 -0.00184 0.00107 0.00268 -0.00079 127 4XX 0.00028 0.00063 -0.00078 -0.00088 -0.00054 128 4YY 0.00012 0.00018 0.00045 -0.00030 -0.00055 129 4ZZ 0.00003 -0.00002 -0.00011 0.00018 0.00098 130 4XY -0.00020 -0.00051 -0.00008 0.00009 -0.00014 131 4XZ -0.00012 -0.00021 -0.00013 0.00014 -0.00117 132 4YZ -0.00002 -0.00026 0.00054 0.00048 0.00064 133 15 C 1S 0.00003 -0.00020 0.00003 0.00032 0.00189 134 2S 0.00031 0.00145 -0.00057 -0.00251 -0.00551 135 2PX -0.00016 -0.00178 -0.00048 0.00236 0.00398 136 2PY 0.00010 0.00108 0.00079 -0.00311 -0.00120 137 2PZ 0.00118 0.00026 0.00234 0.00527 -0.00843 138 3S 0.00015 0.00175 -0.00148 -0.00319 -0.00814 139 3PX 0.00114 0.00061 -0.00031 0.00078 -0.00444 140 3PY -0.00068 -0.00008 -0.00086 -0.00099 0.00432 141 3PZ 0.00049 0.00033 0.00146 0.00220 -0.00992 142 4XX -0.00009 -0.00015 -0.00016 -0.00032 0.00060 143 4YY -0.00008 -0.00005 0.00008 0.00021 0.00010 144 4ZZ 0.00028 0.00025 0.00006 0.00022 -0.00050 145 4XY 0.00019 0.00050 0.00003 -0.00011 -0.00027 146 4XZ -0.00003 -0.00001 0.00021 0.00000 -0.00039 147 4YZ -0.00017 -0.00019 -0.00029 0.00036 0.00016 148 16 C 1S -0.00005 0.00058 -0.00154 -0.00261 0.00009 149 2S -0.00019 -0.00103 0.00206 0.00376 0.00017 150 2PX 0.00044 0.00607 0.00479 -0.00464 -0.00264 151 2PY -0.00075 -0.00444 0.00970 0.01643 -0.00031 152 2PZ -0.00028 -0.00384 -0.00401 0.00638 0.00232 153 3S -0.00200 -0.00662 0.02037 0.02623 0.00045 154 3PX -0.00181 0.00104 0.00386 -0.00368 -0.00973 155 3PY -0.00061 -0.00090 0.01137 0.01246 -0.00532 156 3PZ -0.00424 -0.00986 -0.00076 0.00671 0.00139 157 4XX -0.00016 -0.00018 -0.00022 0.00028 0.00007 158 4YY -0.00019 -0.00042 0.00017 0.00015 -0.00030 159 4ZZ -0.00006 0.00012 -0.00023 -0.00083 0.00031 160 4XY -0.00041 -0.00102 0.00116 0.00147 0.00088 161 4XZ 0.00004 0.00048 -0.00024 -0.00089 -0.00045 162 4YZ 0.00040 0.00077 -0.00057 -0.00104 -0.00090 163 17 H 1S -0.00069 -0.00122 -0.00050 -0.00051 0.00266 164 2S -0.00180 -0.00266 0.00054 0.00036 0.00703 165 18 H 1S 0.00108 0.00093 0.00045 0.00163 -0.00402 166 2S 0.00129 0.00051 0.00001 0.00218 0.00596 167 19 O 1S -0.00010 -0.00077 0.00027 0.00064 -0.00029 168 2S 0.00005 0.00190 -0.00065 -0.00182 0.00059 169 2PX -0.00034 -0.00462 -0.00043 0.00851 -0.00035 170 2PY 0.00008 0.00423 -0.00414 -0.00308 -0.00238 171 2PZ -0.00141 -0.00298 0.00615 0.00135 0.00407 172 3S 0.00234 0.00493 -0.00284 -0.00272 0.00245 173 3PX -0.00114 -0.00489 0.00000 0.00714 0.00061 174 3PY 0.00026 0.00317 -0.00403 -0.00308 -0.00185 175 3PZ -0.00126 -0.00198 0.00529 0.00040 0.00296 176 4XX -0.00010 -0.00028 -0.00014 0.00008 0.00050 177 4YY -0.00015 0.00000 0.00004 -0.00003 -0.00015 178 4ZZ 0.00007 0.00022 0.00006 -0.00024 -0.00026 179 4XY -0.00012 -0.00030 -0.00017 0.00002 0.00004 180 4XZ 0.00005 0.00015 0.00000 -0.00006 -0.00001 181 4YZ 0.00001 0.00001 -0.00008 -0.00028 -0.00004 182 20 H 1S -0.00063 -0.00022 -0.00529 -0.01306 0.01700 183 2S -0.00020 -0.00043 -0.01225 -0.01808 0.03046 184 21 H 1S -0.00034 -0.00360 -0.00897 -0.00496 -0.02500 185 2S -0.00120 -0.00328 -0.00566 -0.00227 -0.05205 186 22 H 1S -0.00193 -0.00035 -0.00805 -0.00416 0.00507 187 2S 0.00432 0.00495 -0.00435 -0.00116 0.00721 188 23 H 1S 0.00095 0.00362 -0.00202 -0.00894 -0.00256 189 2S -0.00010 0.00234 -0.00284 -0.01063 -0.00697 96 97 98 99 100 96 2S 0.16628 97 10 H 1S -0.03452 0.21593 98 2S -0.04557 0.16993 0.16629 99 11 H 1S -0.01154 -0.01339 -0.01058 0.21714 100 2S -0.02513 -0.00727 -0.00004 0.17586 0.16496 101 12 H 1S 0.00712 -0.00882 -0.02135 -0.02289 -0.02758 102 2S 0.01814 -0.02287 -0.03822 -0.02724 -0.03410 103 13 C 1S 0.00286 0.00009 -0.00157 -0.00154 -0.00261 104 2S -0.00626 0.00017 0.00337 0.00205 0.00376 105 2PX 0.01628 -0.00263 0.00527 0.00479 -0.00464 106 2PY -0.00553 0.00031 -0.00815 -0.00970 -0.01642 107 2PZ -0.03805 0.00231 -0.00188 -0.00401 0.00638 108 3S -0.01425 0.00045 0.00729 0.02037 0.02622 109 3PX 0.02386 -0.00973 -0.00637 0.00386 -0.00368 110 3PY -0.00531 0.00532 -0.00234 -0.01136 -0.01245 111 3PZ -0.02556 0.00139 0.00013 -0.00076 0.00671 112 4XX -0.00458 0.00007 0.00073 -0.00022 0.00028 113 4YY 0.00153 -0.00031 -0.00071 0.00017 0.00015 114 4ZZ 0.00304 0.00031 0.00002 -0.00023 -0.00083 115 4XY 0.00010 -0.00088 -0.00118 -0.00116 -0.00147 116 4XZ 0.00037 -0.00045 -0.00037 -0.00024 -0.00089 117 4YZ 0.00013 0.00090 0.00185 0.00057 0.00104 118 14 O 1S -0.00390 -0.00029 -0.00186 0.00027 0.00064 119 2S 0.00520 0.00059 0.00407 -0.00065 -0.00182 120 2PX -0.03405 -0.00035 0.00767 -0.00042 0.00851 121 2PY 0.03724 0.00238 -0.00836 0.00413 0.00308 122 2PZ 0.06461 0.00407 -0.00690 0.00615 0.00134 123 3S 0.00936 0.00245 0.01129 -0.00284 -0.00272 124 3PX -0.02980 0.00061 0.00768 0.00000 0.00714 125 3PY 0.02632 0.00185 -0.00727 0.00403 0.00308 126 3PZ 0.04874 0.00296 -0.00400 0.00529 0.00040 127 4XX 0.00006 0.00050 0.00018 -0.00014 0.00008 128 4YY -0.00276 -0.00015 0.00006 0.00004 -0.00003 129 4ZZ 0.00098 -0.00026 -0.00050 0.00006 -0.00024 130 4XY 0.00087 -0.00004 -0.00018 0.00017 -0.00002 131 4XZ -0.00114 -0.00001 0.00031 0.00000 -0.00006 132 4YZ -0.00220 0.00004 0.00058 0.00008 0.00028 133 15 C 1S 0.00272 0.00189 0.00272 0.00003 0.00032 134 2S -0.00661 -0.00552 -0.00662 -0.00057 -0.00250 135 2PX 0.00748 0.00399 0.00748 -0.00048 0.00236 136 2PY -0.00477 0.00120 0.00478 -0.00079 0.00310 137 2PZ -0.00090 -0.00844 -0.00091 0.00233 0.00527 138 3S -0.01073 -0.00814 -0.01073 -0.00148 -0.00318 139 3PX -0.00291 -0.00445 -0.00291 -0.00031 0.00077 140 3PY 0.00731 -0.00432 -0.00731 0.00086 0.00099 141 3PZ 0.00070 -0.00993 0.00070 0.00146 0.00219 142 4XX 0.00160 0.00060 0.00160 -0.00016 -0.00032 143 4YY 0.00112 0.00010 0.00113 0.00008 0.00021 144 4ZZ -0.00256 -0.00050 -0.00257 0.00006 0.00022 145 4XY -0.00147 0.00027 0.00147 -0.00003 0.00011 146 4XZ -0.00094 -0.00039 -0.00094 0.00021 0.00000 147 4YZ 0.00313 -0.00016 -0.00313 0.00029 -0.00036 148 16 C 1S -0.00157 0.00211 0.00287 0.00408 0.00291 149 2S 0.00337 -0.00548 -0.00627 -0.00633 -0.00296 150 2PX 0.00526 0.01759 0.01630 0.01726 0.02258 151 2PY 0.00814 0.00282 0.00555 0.01446 0.01731 152 2PZ -0.00187 -0.01903 -0.03807 -0.00486 -0.01181 153 3S 0.00730 -0.00477 -0.01426 -0.02949 -0.02846 154 3PX -0.00637 0.02015 0.02389 0.01402 0.01788 155 3PY 0.00234 0.00650 0.00533 -0.00485 -0.00477 156 3PZ 0.00014 -0.01303 -0.02558 -0.00815 -0.01338 157 4XX 0.00073 -0.00031 -0.00458 0.00033 -0.00067 158 4YY -0.00071 0.00002 0.00154 0.00113 0.00161 159 4ZZ 0.00002 0.00078 0.00305 -0.00055 -0.00050 160 4XY 0.00118 -0.00019 -0.00009 0.00137 0.00017 161 4XZ -0.00037 -0.00020 0.00037 -0.00012 0.00046 162 4YZ -0.00185 0.00044 -0.00013 -0.00127 -0.00062 163 17 H 1S 0.00726 0.00266 0.00727 -0.00049 -0.00051 164 2S 0.01618 0.00704 0.01619 0.00055 0.00036 165 18 H 1S -0.00757 -0.00402 -0.00758 0.00045 0.00163 166 2S -0.00843 0.00596 -0.00844 0.00001 0.00218 167 19 O 1S -0.00186 0.00248 -0.00390 0.00030 -0.00252 168 2S 0.00406 -0.00571 0.00520 -0.00116 0.00539 169 2PX 0.00767 0.00293 -0.03406 0.00313 -0.00053 170 2PY 0.00836 0.00146 -0.03728 0.00246 -0.00903 171 2PZ -0.00690 -0.00480 0.06464 -0.00082 -0.00039 172 3S 0.01129 -0.01335 0.00935 0.00162 0.01044 173 3PX 0.00768 -0.00015 -0.02981 0.00071 -0.00212 174 3PY 0.00727 -0.00175 -0.02635 0.00216 -0.00530 175 3PZ -0.00400 -0.00079 0.04876 0.00107 0.00268 176 4XX 0.00018 -0.00054 0.00006 -0.00078 -0.00088 177 4YY 0.00006 -0.00055 -0.00277 0.00045 -0.00030 178 4ZZ -0.00050 0.00098 0.00098 -0.00011 0.00018 179 4XY 0.00018 0.00014 -0.00087 0.00008 -0.00009 180 4XZ 0.00031 -0.00117 -0.00114 -0.00013 0.00014 181 4YZ -0.00058 -0.00064 0.00220 -0.00054 -0.00048 182 20 H 1S 0.03244 -0.02500 -0.05356 -0.00897 -0.00497 183 2S 0.04129 -0.05205 -0.06142 -0.00567 -0.00228 184 21 H 1S -0.05356 0.01702 0.03246 -0.00529 -0.01306 185 2S -0.06141 0.03049 0.04132 -0.01224 -0.01807 186 22 H 1S 0.01532 -0.00257 -0.00622 -0.00202 -0.00894 187 2S 0.01712 -0.00697 -0.01089 -0.00285 -0.01062 188 23 H 1S -0.00622 0.00507 0.01533 -0.00804 -0.00415 189 2S -0.01088 0.00721 0.01713 -0.00434 -0.00116 101 102 103 104 105 101 12 H 1S 0.21693 102 2S 0.17899 0.17164 103 13 C 1S -0.00005 0.00058 2.05255 104 2S -0.00019 -0.00103 -0.06338 0.33288 105 2PX 0.00044 0.00607 0.01203 -0.01860 0.34621 106 2PY 0.00075 0.00444 0.00506 -0.01302 -0.04015 107 2PZ -0.00028 -0.00384 0.01511 -0.02722 -0.02221 108 3S -0.00200 -0.00661 -0.17203 0.27248 -0.09835 109 3PX -0.00181 0.00104 0.01878 -0.03665 0.16686 110 3PY 0.00061 0.00090 0.00736 -0.00397 -0.05102 111 3PZ -0.00424 -0.00986 0.00255 -0.01649 -0.08141 112 4XX -0.00016 -0.00018 -0.01177 -0.01308 0.01163 113 4YY -0.00019 -0.00042 -0.01725 -0.00101 -0.00623 114 4ZZ -0.00006 0.00012 -0.01571 -0.00410 -0.00184 115 4XY 0.00041 0.00102 0.00020 -0.00034 0.00113 116 4XZ 0.00004 0.00048 -0.00345 0.00809 0.01110 117 4YZ -0.00040 -0.00077 0.00424 -0.00860 0.01262 118 14 O 1S -0.00010 -0.00077 0.00537 -0.00687 -0.02953 119 2S 0.00005 0.00190 -0.00988 0.01073 0.06594 120 2PX -0.00034 -0.00462 0.05683 -0.12361 -0.16693 121 2PY -0.00008 -0.00423 0.02547 -0.05164 -0.09859 122 2PZ -0.00141 -0.00298 0.03477 -0.06520 -0.17837 123 3S 0.00234 0.00493 0.01404 -0.02641 0.06861 124 3PX -0.00114 -0.00489 0.02658 -0.06226 -0.10154 125 3PY -0.00026 -0.00317 0.01945 -0.03877 -0.07144 126 3PZ -0.00126 -0.00198 0.01512 -0.02656 -0.08267 127 4XX -0.00010 -0.00028 -0.00369 0.00605 -0.00641 128 4YY -0.00015 0.00000 -0.00126 0.00120 0.00465 129 4ZZ 0.00007 0.00022 -0.00089 0.00060 0.00146 130 4XY 0.00012 0.00030 -0.00464 0.00906 0.00889 131 4XZ 0.00005 0.00015 -0.00489 0.00780 0.00431 132 4YZ -0.00001 -0.00001 -0.00277 0.00504 0.01130 133 15 C 1S 0.00003 -0.00020 -0.00316 0.00630 0.00913 134 2S 0.00031 0.00145 0.00672 -0.01756 -0.02190 135 2PX -0.00016 -0.00178 -0.01114 0.02806 0.02079 136 2PY -0.00010 -0.00108 0.00217 -0.00474 -0.03532 137 2PZ 0.00118 0.00027 -0.00866 0.02121 0.03431 138 3S 0.00015 0.00175 0.00988 -0.01226 -0.04432 139 3PX 0.00114 0.00061 -0.00779 0.01317 0.01209 140 3PY 0.00068 0.00008 0.00139 -0.00393 -0.03155 141 3PZ 0.00049 0.00033 -0.00626 0.01180 0.03283 142 4XX -0.00009 -0.00015 -0.00162 0.00400 0.00735 143 4YY -0.00008 -0.00005 0.00217 -0.00464 -0.00888 144 4ZZ 0.00028 0.00025 -0.00094 0.00176 0.00479 145 4XY -0.00019 -0.00050 0.00103 -0.00239 -0.00015 146 4XZ -0.00003 -0.00001 -0.00005 0.00046 0.00444 147 4YZ 0.00017 0.00019 0.00000 0.00012 -0.00418 148 16 C 1S -0.00015 -0.00151 0.01947 -0.04084 0.01341 149 2S -0.00040 0.00010 -0.04084 0.07592 -0.02567 150 2PX -0.00505 -0.01516 0.01341 -0.02567 0.16094 151 2PY -0.00069 -0.00607 -0.08014 0.16580 0.01946 152 2PZ 0.00682 0.00957 -0.01091 0.01983 -0.09938 153 3S 0.00376 0.00975 0.00180 0.02807 -0.06625 154 3PX -0.00141 -0.00671 0.00344 -0.00368 0.09438 155 3PY 0.00192 -0.00049 -0.00105 0.01885 0.02433 156 3PZ 0.01246 0.01872 -0.00661 0.01819 -0.06394 157 4XX 0.00035 0.00029 0.00325 -0.00759 -0.00048 158 4YY -0.00008 -0.00018 -0.00653 0.01193 0.00092 159 4ZZ 0.00003 0.00021 0.00346 -0.00793 0.00233 160 4XY -0.00004 0.00046 0.00007 -0.00037 0.01259 161 4XZ 0.00002 -0.00056 0.00133 -0.00307 0.00017 162 4YZ -0.00023 -0.00024 0.00081 -0.00171 -0.00512 163 17 H 1S -0.00069 -0.00122 -0.00481 0.01265 0.02127 164 2S -0.00180 -0.00267 -0.00436 0.01311 0.04174 165 18 H 1S 0.00108 0.00093 -0.00289 0.00540 0.00914 166 2S 0.00129 0.00051 -0.00328 0.00505 -0.00171 167 19 O 1S 0.00019 0.00148 -0.00177 0.00495 0.00446 168 2S 0.00028 -0.00269 0.00716 -0.01548 -0.01397 169 2PX 0.00315 0.00741 -0.01256 0.02728 -0.07077 170 2PY -0.00017 -0.00120 0.02271 -0.05458 -0.02756 171 2PZ -0.00405 -0.00151 0.00200 -0.00190 0.04870 172 3S -0.00398 -0.00954 -0.00338 -0.00398 -0.01643 173 3PX 0.00455 0.00836 -0.00941 0.02046 -0.05944 174 3PY -0.00078 -0.00169 0.01410 -0.03728 -0.01912 175 3PZ -0.00269 -0.00184 0.00235 -0.00388 0.04773 176 4XX 0.00028 0.00063 0.00027 0.00014 -0.00368 177 4YY 0.00012 0.00018 0.00139 -0.00234 -0.00091 178 4ZZ 0.00003 -0.00002 0.00102 -0.00120 0.00256 179 4XY 0.00020 0.00051 0.00070 -0.00154 -0.00303 180 4XZ -0.00012 -0.00021 -0.00006 0.00020 0.00117 181 4YZ 0.00002 0.00026 0.00092 -0.00213 -0.00170 182 20 H 1S -0.00035 -0.00361 -0.00124 0.00104 -0.00605 183 2S -0.00121 -0.00328 -0.00321 0.00341 -0.02199 184 21 H 1S -0.00063 -0.00022 -0.00263 0.00805 -0.02530 185 2S -0.00021 -0.00044 -0.00281 0.01140 -0.05155 186 22 H 1S 0.00095 0.00361 -0.06820 0.13566 -0.06570 187 2S -0.00010 0.00234 -0.02048 0.04650 -0.03957 188 23 H 1S -0.00193 -0.00036 0.01654 -0.03648 0.00832 189 2S 0.00431 0.00495 0.02040 -0.04063 0.02370 106 107 108 109 110 106 2PY 0.43071 107 2PZ -0.02890 0.37881 108 3S 0.01738 -0.02415 0.30240 109 3PX -0.03758 -0.08370 -0.06511 0.10751 110 3PY 0.12294 0.01635 -0.00109 -0.03277 0.05313 111 3PZ 0.01243 0.16318 0.01251 -0.06592 0.02381 112 4XX 0.00700 0.01131 -0.01110 0.00269 0.00135 113 4YY -0.01259 -0.00558 -0.00002 0.00019 -0.00171 114 4ZZ 0.01309 -0.00482 -0.00313 -0.00075 0.00225 115 4XY 0.00496 0.01133 -0.00070 -0.00125 0.00301 116 4XZ 0.00916 0.00702 0.00261 0.00148 0.00128 117 4YZ -0.00769 0.00937 -0.01358 0.00464 -0.00212 118 14 O 1S -0.00841 -0.02341 0.03365 0.00188 -0.00926 119 2S 0.03094 0.05397 -0.08565 -0.00925 0.02010 120 2PX -0.10823 -0.18562 -0.03606 -0.02842 -0.01431 121 2PY -0.03170 -0.06629 -0.06383 0.00554 0.04341 122 2PZ -0.07010 -0.08075 -0.07378 -0.06529 -0.02436 123 3S -0.04044 0.04687 -0.14502 -0.00220 0.00576 124 3PX -0.05727 -0.09089 -0.00386 -0.02098 -0.00217 125 3PY -0.02505 -0.04913 -0.04535 0.00213 0.02760 126 3PZ -0.04074 -0.05661 -0.04402 -0.02602 -0.01817 127 4XX 0.00823 0.00739 0.00707 -0.00484 0.00343 128 4YY 0.00050 0.00290 0.00255 0.00001 -0.00238 129 4ZZ 0.00487 -0.00969 0.00268 0.00309 0.00096 130 4XY -0.00340 0.01056 0.00459 0.00132 -0.00224 131 4XZ 0.00310 -0.00128 0.00512 0.00090 0.00065 132 4YZ -0.00410 0.00184 0.00392 0.00492 -0.00177 133 15 C 1S -0.01013 0.00381 0.00669 0.00601 -0.00710 134 2S 0.03219 -0.01021 -0.01117 -0.01084 0.01566 135 2PX -0.01614 0.02271 0.04028 0.01474 -0.00224 136 2PY -0.02088 -0.03815 0.01437 -0.02863 -0.02780 137 2PZ -0.02129 0.00269 0.03383 0.02618 -0.00358 138 3S 0.05397 -0.00799 0.00698 -0.01789 0.02482 139 3PX -0.01700 0.01128 0.01714 0.00544 -0.00312 140 3PY -0.00043 -0.03294 0.00616 -0.00959 -0.00233 141 3PZ -0.02178 -0.00871 0.00195 0.02106 -0.01080 142 4XX 0.00167 0.00611 0.00033 0.00299 -0.00046 143 4YY -0.00517 -0.00719 -0.00421 -0.00355 -0.00211 144 4ZZ 0.00206 0.00340 0.00360 0.00141 0.00190 145 4XY 0.00067 -0.00422 -0.00110 0.00345 0.00190 146 4XZ -0.00026 0.00260 -0.00244 0.00084 -0.00049 147 4YZ 0.00250 0.00145 -0.00005 -0.00061 0.00299 148 16 C 1S 0.08014 -0.01089 0.00180 0.00344 0.00105 149 2S -0.16581 0.01979 0.02807 -0.00368 -0.01886 150 2PX -0.01944 -0.09938 -0.06626 0.09438 -0.02432 151 2PY -0.32465 -0.03392 0.12944 0.01941 -0.10079 152 2PZ 0.03382 0.11879 0.07408 -0.05076 0.02186 153 3S -0.12946 0.07403 -0.02100 -0.03376 0.01283 154 3PX -0.01940 -0.05076 -0.03377 0.04460 -0.01943 155 3PY -0.10079 -0.02189 -0.01285 0.01943 -0.02619 156 3PZ 0.03849 0.08165 0.04416 -0.04240 0.02097 157 4XX 0.01313 -0.00040 -0.00418 -0.00003 0.00387 158 4YY -0.00799 0.00075 0.01065 -0.00134 -0.00339 159 4ZZ 0.01007 -0.00379 -0.00858 0.00231 0.00223 160 4XY -0.00563 -0.00419 -0.00612 0.00720 -0.00241 161 4XZ 0.00447 -0.00034 -0.00378 0.00085 0.00203 162 4YZ -0.00038 0.01435 -0.00372 -0.00559 0.00309 163 17 H 1S 0.00579 0.01276 0.00897 0.01225 0.00076 164 2S -0.00554 0.00479 -0.00498 0.02403 -0.00972 165 18 H 1S 0.00537 0.00812 0.02075 0.00568 0.00940 166 2S 0.00261 0.02480 0.03060 -0.00489 0.01305 167 19 O 1S -0.00162 0.00858 -0.01912 -0.00040 0.00866 168 2S 0.01727 -0.01589 0.03953 -0.00018 -0.01381 169 2PX -0.03231 0.04711 0.05189 -0.06279 0.00293 170 2PY 0.05835 -0.01344 -0.11865 0.01223 0.07006 171 2PZ -0.05122 -0.05769 -0.02258 0.04579 -0.04205 172 3S -0.03055 -0.06696 0.06991 0.00817 -0.04760 173 3PX -0.01728 0.04762 0.04012 -0.05124 0.00649 174 3PY 0.03997 -0.01435 -0.07832 0.00943 0.04594 175 3PZ -0.04114 -0.05147 -0.02363 0.03962 -0.03260 176 4XX 0.00416 0.00503 0.00129 -0.00203 0.00205 177 4YY 0.00258 0.00125 -0.00668 -0.00009 0.00370 178 4ZZ 0.00250 -0.00056 -0.00190 0.00056 0.00107 179 4XY 0.00608 0.00086 0.00119 -0.00307 0.00152 180 4XZ -0.00136 0.00027 -0.00024 0.00084 0.00009 181 4YZ 0.00473 -0.00040 -0.00089 -0.00049 0.00056 182 20 H 1S 0.00206 0.00385 0.01568 0.00285 -0.00665 183 2S 0.00740 0.01343 0.02781 -0.00370 -0.00430 184 21 H 1S 0.00456 0.02413 -0.00338 -0.03165 0.01292 185 2S 0.00981 0.05074 0.00315 -0.05085 0.02064 186 22 H 1S 0.16923 -0.19076 0.13824 -0.01463 0.04025 187 2S 0.13846 -0.15449 0.05310 0.00285 0.02944 188 23 H 1S 0.04030 0.00081 -0.06701 -0.00165 0.02500 189 2S 0.06419 0.00813 -0.06604 0.00133 0.02217 111 112 113 114 115 111 3PZ 0.09327 112 4XX 0.00336 0.00284 113 4YY -0.00081 -0.00081 0.00124 114 4ZZ -0.00239 -0.00057 -0.00025 0.00166 115 4XY 0.00445 0.00068 -0.00016 -0.00042 0.00146 116 4XZ -0.00019 0.00036 -0.00086 0.00048 0.00038 117 4YZ 0.00057 0.00059 -0.00001 -0.00006 0.00045 118 14 O 1S 0.00881 -0.00408 0.00187 -0.00015 -0.00471 119 2S -0.02161 0.01019 -0.00417 0.00085 0.01094 120 2PX -0.03342 0.00967 0.00838 -0.01394 -0.00470 121 2PY -0.00080 -0.01246 0.01669 -0.00483 0.01115 122 2PZ -0.03147 -0.02966 0.00734 0.02319 -0.01508 123 3S -0.03623 0.00915 -0.00037 -0.00054 0.01372 124 3PX -0.00671 0.00838 0.00484 -0.01121 -0.00028 125 3PY -0.00143 -0.00826 0.01108 -0.00301 0.00645 126 3PZ -0.02935 -0.02041 0.00453 0.01586 -0.00909 127 4XX 0.00474 -0.00053 -0.00009 0.00032 0.00036 128 4YY 0.00049 0.00073 -0.00086 0.00021 -0.00086 129 4ZZ -0.00347 -0.00006 0.00012 -0.00011 0.00000 130 4XY 0.00177 -0.00044 -0.00033 0.00031 0.00003 131 4XZ -0.00174 0.00015 -0.00020 -0.00014 0.00023 132 4YZ -0.00035 0.00104 -0.00016 -0.00112 0.00036 133 15 C 1S 0.00104 -0.00035 0.00097 -0.00113 0.00146 134 2S 0.00196 0.00108 -0.00241 0.00264 -0.00346 135 2PX 0.01112 -0.00362 0.00310 -0.00371 0.00387 136 2PY -0.02414 -0.00023 -0.00266 0.00408 -0.00847 137 2PZ -0.00501 -0.00250 0.00292 -0.00353 0.00433 138 3S 0.01202 -0.00051 -0.00181 0.00211 -0.00259 139 3PX 0.00395 0.00005 0.00128 -0.00287 0.00192 140 3PY -0.00879 -0.00246 0.00101 0.00153 -0.00349 141 3PZ -0.01370 -0.00320 0.00132 0.00096 0.00042 142 4XX 0.00146 -0.00073 -0.00007 0.00058 -0.00016 143 4YY -0.00333 -0.00023 0.00019 0.00040 -0.00003 144 4ZZ 0.00199 0.00112 -0.00013 -0.00110 0.00034 145 4XY 0.00079 0.00018 0.00054 -0.00069 0.00038 146 4XZ 0.00027 0.00044 -0.00030 0.00005 -0.00031 147 4YZ 0.00240 -0.00103 0.00052 0.00028 0.00013 148 16 C 1S -0.00661 0.00325 -0.00653 0.00346 -0.00007 149 2S 0.01818 -0.00759 0.01193 -0.00793 0.00037 150 2PX -0.06395 -0.00048 0.00092 0.00233 -0.01259 151 2PY -0.03853 -0.01313 0.00799 -0.01007 -0.00563 152 2PZ 0.08164 -0.00040 0.00075 -0.00380 0.00419 153 3S 0.04415 -0.00418 0.01064 -0.00858 0.00612 154 3PX -0.04241 -0.00003 -0.00134 0.00231 -0.00720 155 3PY -0.02099 -0.00386 0.00339 -0.00223 -0.00241 156 3PZ 0.04847 0.00090 -0.00132 -0.00162 0.00480 157 4XX 0.00090 0.00057 -0.00034 0.00024 -0.00016 158 4YY -0.00132 -0.00034 -0.00010 -0.00026 0.00009 159 4ZZ -0.00162 0.00024 -0.00026 0.00074 0.00004 160 4XY -0.00480 0.00016 -0.00009 -0.00004 0.00000 161 4XZ 0.00145 0.00000 0.00023 0.00019 -0.00036 162 4YZ 0.00723 0.00047 -0.00007 -0.00022 0.00055 163 17 H 1S 0.00419 -0.00346 0.00043 0.00137 -0.00038 164 2S -0.00720 -0.00561 0.00070 0.00374 -0.00106 165 18 H 1S 0.00565 0.00242 0.00013 -0.00360 0.00183 166 2S 0.01770 0.00650 0.00011 -0.00765 0.00380 167 19 O 1S 0.00034 0.00017 -0.00113 -0.00041 0.00019 168 2S 0.00415 -0.00013 0.00172 0.00103 -0.00005 169 2PX 0.01592 0.00181 -0.00323 -0.00311 0.00571 170 2PY 0.02568 -0.00128 0.00525 0.00022 -0.00352 171 2PZ -0.04494 -0.00149 -0.00191 0.00376 0.00395 172 3S -0.02588 -0.00333 0.00284 0.00163 -0.00090 173 3PX 0.02007 0.00099 -0.00167 -0.00235 0.00407 174 3PY 0.01465 -0.00137 0.00393 0.00031 -0.00219 175 3PZ -0.03821 -0.00132 -0.00071 0.00284 0.00122 176 4XX 0.00335 -0.00005 0.00009 -0.00001 0.00046 177 4YY 0.00190 0.00012 0.00005 0.00004 -0.00039 178 4ZZ -0.00081 0.00028 -0.00010 -0.00004 0.00010 179 4XY 0.00019 0.00034 -0.00045 0.00018 0.00033 180 4XZ 0.00043 -0.00007 0.00027 -0.00014 -0.00002 181 4YZ -0.00013 0.00012 -0.00028 0.00037 0.00037 182 20 H 1S 0.00497 -0.00012 0.00033 -0.00055 0.00128 183 2S 0.01380 0.00000 0.00033 -0.00111 0.00256 184 21 H 1S 0.01169 0.00042 -0.00006 -0.00121 0.00009 185 2S 0.02778 0.00044 -0.00015 -0.00139 0.00071 186 22 H 1S -0.06419 -0.01030 -0.00133 0.00727 -0.00491 187 2S -0.05323 -0.00710 -0.00114 0.00780 -0.00503 188 23 H 1S 0.00188 0.00286 0.00066 0.00200 0.00225 189 2S -0.00048 0.00382 -0.00248 0.00396 0.00105 116 117 118 119 120 116 4XZ 0.00147 117 4YZ 0.00023 0.00192 118 14 O 1S -0.00482 -0.00418 2.07557 119 2S 0.01112 0.00916 -0.17799 0.50359 120 2PX -0.02047 -0.01403 -0.01251 0.02850 0.64791 121 2PY -0.01396 0.00988 -0.03973 0.07464 0.02589 122 2PZ -0.00360 0.00086 -0.00479 0.00377 -0.13783 123 3S 0.00833 0.01643 -0.24523 0.59250 0.04942 124 3PX -0.01239 -0.00876 -0.00938 0.02093 0.40599 125 3PY -0.00951 0.00553 -0.02573 0.04922 0.03539 126 3PZ -0.00057 0.00239 -0.00453 0.00465 -0.14600 127 4XX 0.00026 -0.00009 -0.01520 -0.00285 -0.01349 128 4YY 0.00067 -0.00082 -0.01267 -0.00833 0.00249 129 4ZZ -0.00029 -0.00035 -0.01397 -0.00547 0.00533 130 4XY 0.00095 0.00054 0.00150 -0.00344 -0.02796 131 4XZ 0.00045 -0.00007 -0.00372 0.00792 -0.00237 132 4YZ 0.00013 0.00011 0.00139 -0.00292 0.00402 133 15 C 1S -0.00001 0.00168 0.00354 -0.00656 -0.02523 134 2S 0.00075 -0.00394 -0.00182 0.00256 0.05125 135 2PX -0.00315 0.00431 0.01529 -0.03725 -0.05310 136 2PY 0.00029 -0.00716 -0.02798 0.06679 0.12287 137 2PZ -0.00327 0.00376 0.01501 -0.03598 -0.05822 138 3S -0.00120 -0.00486 0.02924 -0.07390 0.03114 139 3PX -0.00119 0.00177 -0.00403 0.00862 0.00240 140 3PY -0.00166 -0.00356 -0.00234 0.00203 0.04749 141 3PZ 0.00022 0.00290 -0.00333 0.00686 -0.06072 142 4XX 0.00060 0.00033 0.00248 -0.00540 -0.02408 143 4YY -0.00024 0.00008 -0.00616 0.01471 0.01377 144 4ZZ -0.00016 -0.00022 0.00216 -0.00417 0.00781 145 4XY -0.00063 -0.00005 0.00391 -0.00924 0.00690 146 4XZ 0.00052 -0.00015 -0.00149 0.00368 -0.00134 147 4YZ -0.00022 0.00040 0.00458 -0.01106 -0.01703 148 16 C 1S 0.00133 -0.00081 -0.00177 0.00716 -0.01256 149 2S -0.00307 0.00172 0.00495 -0.01548 0.02727 150 2PX 0.00017 0.00512 0.00446 -0.01397 -0.07077 151 2PY -0.00448 -0.00037 0.00162 -0.01727 0.03230 152 2PZ -0.00034 -0.01435 0.00858 -0.01590 0.04712 153 3S -0.00377 0.00373 -0.01912 0.03953 0.05189 154 3PX 0.00085 0.00559 -0.00040 -0.00018 -0.06279 155 3PY -0.00203 0.00309 -0.00866 0.01381 -0.00293 156 3PZ 0.00145 -0.00723 0.00034 0.00415 0.01592 157 4XX 0.00000 -0.00047 0.00017 -0.00013 0.00181 158 4YY 0.00023 0.00007 -0.00113 0.00172 -0.00322 159 4ZZ 0.00019 0.00022 -0.00041 0.00103 -0.00312 160 4XY 0.00036 0.00055 -0.00019 0.00005 -0.00571 161 4XZ 0.00004 -0.00017 0.00019 -0.00040 -0.00061 162 4YZ 0.00017 0.00062 -0.00025 0.00048 -0.00497 163 17 H 1S 0.00037 0.00170 0.01026 -0.02490 -0.06499 164 2S 0.00177 0.00353 0.00569 -0.01482 -0.11692 165 18 H 1S -0.00183 -0.00070 0.00889 -0.02014 0.02515 166 2S -0.00289 -0.00148 0.00532 -0.01017 0.08190 167 19 O 1S 0.00019 0.00025 0.00092 -0.00175 -0.00451 168 2S -0.00040 -0.00048 -0.00175 0.00434 0.00771 169 2PX -0.00061 0.00497 -0.00451 0.00771 0.00552 170 2PY -0.00129 -0.00300 0.01105 -0.02888 0.00092 171 2PZ 0.00219 0.00360 -0.00933 0.01775 -0.01625 172 3S -0.00219 -0.00023 -0.01294 0.02675 0.03677 173 3PX -0.00033 0.00223 -0.00662 0.01437 0.00624 174 3PY -0.00114 -0.00193 0.00453 -0.01241 0.00192 175 3PZ 0.00133 0.00308 -0.01028 0.02059 -0.01000 176 4XX 0.00004 -0.00020 0.00031 -0.00032 -0.00140 177 4YY 0.00013 -0.00029 0.00035 -0.00120 0.00051 178 4ZZ -0.00003 0.00046 -0.00024 0.00068 -0.00158 179 4XY 0.00009 0.00023 -0.00079 0.00193 0.00037 180 4XZ -0.00007 0.00020 0.00022 -0.00068 -0.00132 181 4YZ 0.00016 -0.00002 -0.00075 0.00177 -0.00020 182 20 H 1S 0.00051 -0.00126 0.00058 -0.00069 0.00313 183 2S 0.00036 -0.00282 0.00121 -0.00103 0.01766 184 21 H 1S 0.00067 -0.00002 -0.00177 0.00218 -0.00116 185 2S 0.00051 -0.00017 -0.00269 0.00416 -0.00434 186 22 H 1S 0.00219 -0.01375 0.01458 -0.02981 0.01400 187 2S 0.00106 -0.00999 0.01571 -0.03187 0.01597 188 23 H 1S 0.00135 0.00732 -0.00352 0.00990 -0.02878 189 2S 0.00287 0.00649 -0.00324 0.00967 -0.05948 121 122 123 124 125 121 2PY 0.66560 122 2PZ 0.04101 0.71652 123 3S 0.21999 0.05278 0.75618 124 3PX 0.03490 -0.15871 0.03229 0.26578 125 3PY 0.42233 0.03768 0.14005 0.03228 0.26979 126 3PZ 0.04618 0.46282 0.04139 -0.13779 0.03458 127 4XX 0.00530 0.00322 -0.00421 -0.00785 0.00286 128 4YY -0.04105 -0.00244 -0.01835 0.00029 -0.02560 129 4ZZ 0.00589 -0.00732 -0.00646 0.00401 0.00371 130 4XY -0.00808 0.00450 -0.00490 -0.01726 -0.00594 131 4XZ -0.00090 -0.00743 0.00741 -0.00077 -0.00087 132 4YZ -0.00308 -0.02923 -0.00413 0.00508 -0.00252 133 15 C 1S 0.05976 -0.02422 0.02100 -0.00730 0.03520 134 2S -0.13130 0.04939 -0.05475 0.01639 -0.07588 135 2PX 0.13977 -0.05326 -0.02476 -0.03747 0.08012 136 2PY -0.22001 0.13956 0.03596 0.04930 -0.13393 137 2PZ 0.14521 -0.05260 -0.02664 -0.01732 0.08591 138 3S -0.09641 0.02270 -0.13767 0.00867 -0.05609 139 3PX 0.05244 -0.04080 0.01708 0.00190 0.03030 140 3PY -0.01938 0.06256 -0.00630 0.02068 -0.00873 141 3PZ 0.05203 0.03542 0.01928 -0.03708 0.03010 142 4XX -0.00102 0.00833 -0.00775 -0.01644 -0.00130 143 4YY 0.00404 0.01598 0.02322 0.00749 0.00300 144 4ZZ -0.00109 -0.02693 -0.00867 0.00798 -0.00068 145 4XY 0.01985 -0.01748 -0.00750 0.00701 0.01253 146 4XZ -0.01286 -0.00133 0.00155 -0.00098 -0.00776 147 4YZ 0.02151 0.00889 -0.00926 -0.01035 0.01360 148 16 C 1S -0.02271 0.00199 -0.00338 -0.00941 -0.01410 149 2S 0.05458 -0.00189 -0.00398 0.02046 0.03728 150 2PX 0.02755 0.04870 -0.01642 -0.05944 0.01911 151 2PY 0.05833 0.05124 0.03057 0.01727 0.03996 152 2PZ 0.01347 -0.05767 -0.06696 0.04763 0.01437 153 3S 0.11866 -0.02255 0.06991 0.04012 0.07833 154 3PX -0.01224 0.04579 0.00818 -0.05124 -0.00944 155 3PY 0.07006 0.04206 0.04760 -0.00649 0.04593 156 3PZ -0.02565 -0.04494 -0.02588 0.02008 -0.01463 157 4XX 0.00128 -0.00149 -0.00333 0.00099 0.00137 158 4YY -0.00525 -0.00191 0.00284 -0.00167 -0.00393 159 4ZZ -0.00022 0.00376 0.00163 -0.00235 -0.00032 160 4XY -0.00352 -0.00395 0.00090 -0.00407 -0.00219 161 4XZ 0.00129 0.00219 -0.00219 -0.00033 0.00114 162 4YZ -0.00300 -0.00360 0.00023 -0.00223 -0.00193 163 17 H 1S 0.01386 0.02891 -0.04016 -0.05426 0.00600 164 2S 0.03137 0.07567 -0.01085 -0.08763 0.01561 165 18 H 1S 0.01453 -0.07388 -0.04561 0.02839 0.00976 166 2S 0.02793 -0.15915 -0.02896 0.07369 0.01834 167 19 O 1S -0.01104 -0.00933 -0.01294 -0.00662 -0.00453 168 2S 0.02888 0.01775 0.02675 0.01437 0.01241 169 2PX -0.00092 -0.01624 0.03677 0.00624 -0.00192 170 2PY 0.13550 0.00575 -0.05942 0.00134 0.10449 171 2PZ -0.00572 0.00705 0.07072 -0.00569 -0.01084 172 3S 0.05940 0.07072 0.08394 0.02853 0.02903 173 3PX -0.00134 -0.00568 0.02853 0.00658 -0.00115 174 3PY 0.10448 0.01085 -0.02905 0.00115 0.07829 175 3PZ -0.00173 0.01676 0.05953 -0.00632 -0.00617 176 4XX 0.00226 -0.00269 -0.00148 -0.00031 0.00118 177 4YY -0.00223 0.00072 -0.00514 -0.00009 -0.00014 178 4ZZ 0.00197 -0.00342 0.00135 -0.00074 0.00094 179 4XY -0.00332 -0.00069 0.00244 -0.00008 -0.00244 180 4XZ 0.00299 -0.00072 -0.00058 -0.00070 0.00179 181 4YZ -0.00194 0.00060 0.00257 0.00036 -0.00155 182 20 H 1S -0.00275 -0.00693 -0.00618 0.00336 -0.00131 183 2S -0.00414 -0.02058 -0.01247 0.01546 -0.00143 184 21 H 1S -0.00040 -0.00143 0.01642 -0.00081 -0.00446 185 2S 0.00207 0.00443 0.01705 -0.00079 -0.00282 186 22 H 1S -0.01736 0.04332 -0.07740 0.00237 -0.00923 187 2S -0.02197 0.07309 -0.06865 -0.00175 -0.01054 188 23 H 1S -0.01995 -0.00586 0.01898 -0.02012 -0.01569 189 2S -0.04326 0.00655 0.01363 -0.04088 -0.03098 126 127 128 129 130 126 3PZ 0.30851 127 4XX 0.00301 0.00104 128 4YY -0.00326 -0.00033 0.00294 129 4ZZ -0.00472 0.00002 -0.00023 0.00079 130 4XY 0.00506 0.00037 0.00030 -0.00034 0.00161 131 4XZ -0.00424 0.00009 -0.00005 0.00011 0.00008 132 4YZ -0.01812 -0.00023 0.00015 0.00019 0.00006 133 15 C 1S -0.00646 0.00031 -0.00712 0.00033 0.00305 134 2S 0.01411 -0.00092 0.01322 -0.00064 -0.00577 135 2PX -0.01330 0.00985 -0.01103 -0.00019 -0.00350 136 2PY 0.06659 -0.00249 0.01051 -0.00109 -0.00263 137 2PZ -0.03963 0.00035 -0.01121 0.00932 0.00410 138 3S -0.00201 0.00126 0.00987 0.00118 -0.00446 139 3PX -0.02003 0.00281 -0.00395 -0.00003 -0.00214 140 3PY 0.03358 -0.00039 0.00112 0.00049 -0.00188 141 3PZ 0.02611 0.00025 -0.00408 0.00221 0.00299 142 4XX 0.00819 0.00094 -0.00003 -0.00048 0.00079 143 4YY 0.00990 -0.00058 -0.00031 -0.00042 -0.00053 144 4ZZ -0.01913 -0.00039 0.00013 0.00081 -0.00004 145 4XY -0.01068 -0.00007 -0.00082 0.00036 -0.00053 146 4XZ -0.00087 -0.00035 0.00098 -0.00037 0.00029 147 4YZ 0.00787 0.00048 -0.00102 0.00007 0.00044 148 16 C 1S 0.00235 0.00027 0.00139 0.00102 -0.00070 149 2S -0.00387 0.00014 -0.00234 -0.00120 0.00154 150 2PX 0.04773 -0.00368 -0.00091 0.00256 0.00302 151 2PY 0.04116 -0.00416 -0.00258 -0.00250 0.00608 152 2PZ -0.05145 0.00503 0.00125 -0.00056 -0.00086 153 3S -0.02361 0.00129 -0.00668 -0.00190 -0.00119 154 3PX 0.03962 -0.00203 -0.00009 0.00056 0.00307 155 3PY 0.03261 -0.00205 -0.00370 -0.00107 0.00152 156 3PZ -0.03820 0.00335 0.00190 -0.00081 -0.00019 157 4XX -0.00131 -0.00005 0.00012 0.00028 -0.00034 158 4YY -0.00071 0.00009 0.00005 -0.00010 0.00045 159 4ZZ 0.00283 -0.00001 0.00004 -0.00004 -0.00018 160 4XY -0.00122 -0.00046 0.00039 -0.00010 0.00033 161 4XZ 0.00133 0.00004 0.00013 -0.00003 -0.00009 162 4YZ -0.00308 0.00020 0.00029 -0.00046 0.00023 163 17 H 1S 0.03094 0.00638 -0.00047 -0.00214 -0.00191 164 2S 0.06849 0.00588 -0.00281 -0.00286 0.00179 165 18 H 1S -0.06367 -0.00188 0.00010 0.00617 -0.00032 166 2S -0.12026 -0.00272 -0.00145 0.00636 -0.00176 167 19 O 1S -0.01028 0.00031 0.00035 -0.00024 0.00079 168 2S 0.02059 -0.00032 -0.00120 0.00068 -0.00193 169 2PX -0.00999 -0.00140 0.00051 -0.00158 -0.00037 170 2PY 0.00175 -0.00226 0.00223 -0.00197 -0.00332 171 2PZ 0.01675 -0.00269 0.00072 -0.00342 0.00069 172 3S 0.05953 -0.00148 -0.00513 0.00135 -0.00244 173 3PX -0.00632 -0.00031 -0.00009 -0.00074 0.00008 174 3PY 0.00619 -0.00118 0.00014 -0.00094 -0.00244 175 3PZ 0.02065 -0.00184 -0.00021 -0.00230 0.00041 176 4XX -0.00183 0.00050 -0.00026 -0.00004 -0.00010 177 4YY -0.00021 -0.00026 0.00085 -0.00029 -0.00011 178 4ZZ -0.00229 -0.00004 -0.00029 0.00025 0.00002 179 4XY -0.00041 0.00010 0.00011 -0.00002 -0.00029 180 4XZ -0.00023 0.00005 -0.00015 0.00008 -0.00001 181 4YZ 0.00015 0.00000 0.00014 -0.00004 -0.00012 182 20 H 1S -0.00539 0.00001 0.00039 0.00029 -0.00021 183 2S -0.01640 0.00042 0.00062 0.00048 -0.00079 184 21 H 1S -0.00560 0.00021 -0.00032 -0.00157 0.00023 185 2S -0.00444 0.00130 -0.00042 -0.00217 0.00037 186 22 H 1S 0.03206 0.00288 0.00091 0.00570 -0.00313 187 2S 0.04918 0.00109 0.00186 0.00403 -0.00327 188 23 H 1S -0.00329 -0.00004 0.00060 -0.00074 -0.00076 189 2S 0.00721 0.00016 0.00204 -0.00140 0.00066 131 132 133 134 135 131 4XZ 0.00045 132 4YZ 0.00028 0.00151 133 15 C 1S -0.00130 0.00368 2.04980 134 2S 0.00169 -0.00687 -0.06512 0.34291 135 2PX 0.00298 0.00514 -0.01454 0.02587 0.42805 136 2PY 0.00092 -0.00522 0.00000 0.00000 0.00000 137 2PZ 0.00265 -0.00220 -0.01514 0.02464 -0.04321 138 3S 0.00061 -0.00523 -0.14988 0.26010 0.04456 139 3PX 0.00170 0.00267 -0.00856 0.01867 0.15540 140 3PY -0.00024 -0.00254 0.00000 0.00000 0.00000 141 3PZ 0.00123 -0.00263 -0.01236 0.02305 -0.00828 142 4XX 0.00011 -0.00001 -0.01782 0.00026 0.02407 143 4YY -0.00031 -0.00060 -0.01312 -0.01025 -0.01562 144 4ZZ 0.00027 0.00083 -0.01764 -0.00043 -0.01021 145 4XY -0.00012 0.00065 0.00000 0.00000 0.00000 146 4XZ -0.00004 0.00020 0.00060 -0.00098 -0.01140 147 4YZ -0.00032 -0.00038 0.00000 0.00000 0.00000 148 16 C 1S -0.00006 -0.00092 -0.00316 0.00672 -0.01114 149 2S 0.00020 0.00213 0.00630 -0.01756 0.02806 150 2PX 0.00117 0.00170 0.00913 -0.02190 0.02079 151 2PY 0.00136 0.00473 0.01013 -0.03218 0.01614 152 2PZ 0.00027 0.00040 0.00381 -0.01022 0.02271 153 3S -0.00024 0.00089 0.00669 -0.01117 0.04028 154 3PX 0.00084 0.00049 0.00601 -0.01084 0.01474 155 3PY -0.00009 0.00056 0.00710 -0.01566 0.00224 156 3PZ 0.00043 0.00013 0.00104 0.00196 0.01112 157 4XX -0.00007 -0.00012 -0.00035 0.00108 -0.00362 158 4YY 0.00027 0.00028 0.00097 -0.00241 0.00310 159 4ZZ -0.00014 -0.00037 -0.00113 0.00264 -0.00371 160 4XY 0.00002 0.00037 -0.00146 0.00346 -0.00387 161 4XZ -0.00007 -0.00016 -0.00001 0.00075 -0.00315 162 4YZ -0.00020 -0.00002 -0.00168 0.00394 -0.00431 163 17 H 1S 0.00194 -0.00018 -0.05970 0.12411 0.27099 164 2S 0.00098 -0.00080 -0.01231 0.03559 0.21706 165 18 H 1S 0.00215 -0.00169 -0.05992 0.12294 -0.07218 166 2S 0.00178 0.00307 -0.01152 0.03386 -0.08280 167 19 O 1S 0.00022 0.00075 0.00354 -0.00182 0.01529 168 2S -0.00068 -0.00177 -0.00656 0.00256 -0.03725 169 2PX -0.00132 0.00020 -0.02523 0.05125 -0.05310 170 2PY -0.00299 -0.00194 -0.05976 0.13128 -0.13976 171 2PZ -0.00072 -0.00060 -0.02423 0.04942 -0.05329 172 3S -0.00058 -0.00258 0.02100 -0.05475 -0.02477 173 3PX -0.00070 -0.00036 -0.00730 0.01639 -0.03746 174 3PY -0.00179 -0.00155 -0.03520 0.07587 -0.08011 175 3PZ -0.00023 -0.00015 -0.00646 0.01413 -0.01332 176 4XX 0.00005 0.00000 0.00031 -0.00092 0.00985 177 4YY -0.00015 -0.00014 -0.00712 0.01321 -0.01103 178 4ZZ 0.00008 0.00004 0.00033 -0.00064 -0.00019 179 4XY 0.00001 -0.00012 -0.00305 0.00577 0.00350 180 4XZ 0.00004 0.00002 -0.00130 0.00169 0.00298 181 4YZ -0.00002 -0.00034 -0.00368 0.00688 -0.00514 182 20 H 1S -0.00001 -0.00001 -0.00112 0.00310 -0.00253 183 2S -0.00008 0.00007 -0.00173 0.00488 -0.00484 184 21 H 1S 0.00065 -0.00028 -0.00112 0.00309 -0.00253 185 2S 0.00047 -0.00097 -0.00173 0.00488 -0.00484 186 22 H 1S 0.00366 -0.00319 -0.00735 0.02026 -0.01911 187 2S 0.00123 -0.00428 -0.00777 0.02246 -0.02697 188 23 H 1S -0.00092 -0.00109 -0.00735 0.02026 -0.01911 189 2S -0.00084 -0.00143 -0.00777 0.02246 -0.02697 136 137 138 139 140 136 2PY 0.29269 137 2PZ -0.00002 0.42487 138 3S -0.00001 0.05595 0.23348 139 3PX 0.00000 -0.01404 0.01604 0.06207 140 3PY 0.07096 -0.00001 0.00000 0.00000 0.02606 141 3PZ -0.00001 0.14519 0.02154 -0.00376 0.00000 142 4XX 0.00000 -0.00911 0.00239 0.00681 0.00000 143 4YY 0.00001 -0.01616 -0.01289 -0.00513 0.00000 144 4ZZ -0.00001 0.02326 0.00319 -0.00205 0.00000 145 4XY -0.02088 0.00000 0.00000 0.00000 -0.00389 146 4XZ 0.00000 -0.01234 -0.00369 -0.00377 0.00000 147 4YZ -0.02050 -0.00001 0.00000 0.00000 -0.00288 148 16 C 1S -0.00217 -0.00867 0.00988 -0.00779 -0.00139 149 2S 0.00474 0.02121 -0.01226 0.01317 0.00393 150 2PX 0.03531 0.03432 -0.04432 0.01209 0.03155 151 2PY -0.02090 0.02129 -0.05396 0.01700 -0.00044 152 2PZ 0.03814 0.00271 -0.00800 0.01129 0.03294 153 3S -0.01438 0.03383 0.00698 0.01714 -0.00616 154 3PX 0.02862 0.02619 -0.01789 0.00544 0.00958 155 3PY -0.02780 0.00358 -0.02482 0.00311 -0.00234 156 3PZ 0.02414 -0.00500 0.01202 0.00396 0.00880 157 4XX 0.00023 -0.00250 -0.00051 0.00005 0.00246 158 4YY 0.00266 0.00292 -0.00182 0.00128 -0.00101 159 4ZZ -0.00409 -0.00353 0.00211 -0.00287 -0.00153 160 4XY -0.00847 -0.00433 0.00259 -0.00192 -0.00349 161 4XZ -0.00029 -0.00327 -0.00119 -0.00119 0.00166 162 4YZ -0.00716 -0.00376 0.00486 -0.00177 -0.00356 163 17 H 1S 0.00001 -0.06517 0.10660 0.09600 0.00000 164 2S 0.00001 -0.07286 0.03009 0.06961 0.00000 165 18 H 1S -0.00003 0.26773 0.11640 -0.01756 -0.00001 166 2S -0.00003 0.21788 0.04307 -0.01695 -0.00001 167 19 O 1S 0.02798 0.01502 0.02924 -0.00403 0.00234 168 2S -0.06678 -0.03600 -0.07391 0.00862 -0.00203 169 2PX -0.12286 -0.05825 0.03114 0.00239 -0.04748 170 2PY -0.21994 -0.14525 0.09641 -0.05244 -0.01936 171 2PZ -0.13960 -0.05267 0.02272 -0.04080 -0.06257 172 3S -0.03596 -0.02665 -0.13767 0.01708 0.00629 173 3PX -0.04929 -0.01733 0.00867 0.00190 -0.02067 174 3PY -0.13390 -0.08593 0.05610 -0.03030 -0.00871 175 3PZ -0.06661 -0.03967 -0.00199 -0.02003 -0.03359 176 4XX 0.00249 0.00036 0.00126 0.00281 0.00039 177 4YY -0.01050 -0.01121 0.00987 -0.00395 -0.00111 178 4ZZ 0.00109 0.00932 0.00118 -0.00003 -0.00049 179 4XY -0.00262 -0.00410 0.00446 0.00213 -0.00188 180 4XZ -0.00092 0.00265 0.00062 0.00170 0.00024 181 4YZ -0.00522 0.00219 0.00523 -0.00267 -0.00254 182 20 H 1S 0.00028 0.00309 0.00385 0.00343 0.00247 183 2S 0.00067 0.00346 0.00721 0.00266 0.00303 184 21 H 1S -0.00028 0.00309 0.00385 0.00343 -0.00247 185 2S -0.00067 0.00346 0.00721 0.00265 -0.00303 186 22 H 1S 0.03007 -0.01935 0.02999 -0.01339 0.02408 187 2S 0.03202 -0.03246 0.02717 -0.01775 0.02345 188 23 H 1S -0.03006 -0.01936 0.02999 -0.01339 -0.02407 189 2S -0.03201 -0.03247 0.02717 -0.01775 -0.02345 141 142 143 144 145 141 3PZ 0.06494 142 4XX 0.00048 0.00335 143 4YY -0.00463 -0.00124 0.00343 144 4ZZ 0.00357 -0.00166 -0.00138 0.00350 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00248 146 4XZ -0.00400 -0.00011 0.00051 -0.00014 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00102 148 16 C 1S -0.00626 -0.00162 0.00217 -0.00094 -0.00103 149 2S 0.01180 0.00400 -0.00464 0.00176 0.00239 150 2PX 0.03283 0.00735 -0.00888 0.00479 0.00015 151 2PY 0.02178 -0.00167 0.00517 -0.00206 0.00067 152 2PZ -0.00870 0.00611 -0.00718 0.00340 0.00422 153 3S 0.00195 0.00033 -0.00421 0.00360 0.00110 154 3PX 0.02106 0.00299 -0.00355 0.00141 -0.00345 155 3PY 0.01081 0.00046 0.00211 -0.00190 0.00190 156 3PZ -0.01370 0.00146 -0.00332 0.00199 -0.00079 157 4XX -0.00320 -0.00073 -0.00023 0.00112 -0.00018 158 4YY 0.00132 -0.00007 0.00019 -0.00013 -0.00054 159 4ZZ 0.00096 0.00058 0.00040 -0.00110 0.00069 160 4XY -0.00042 0.00016 0.00003 -0.00034 0.00038 161 4XZ 0.00022 0.00060 -0.00024 -0.00016 0.00063 162 4YZ -0.00290 -0.00033 -0.00008 0.00022 -0.00005 163 17 H 1S -0.00314 0.02033 -0.01191 -0.01176 0.00000 164 2S 0.00211 0.02111 -0.00689 -0.01530 0.00000 165 18 H 1S 0.08283 -0.01122 -0.01262 0.02042 0.00000 166 2S 0.04488 -0.01622 -0.00903 0.02417 0.00000 167 19 O 1S -0.00333 0.00248 -0.00615 0.00216 -0.00391 168 2S 0.00686 -0.00540 0.01471 -0.00417 0.00924 169 2PX -0.06073 -0.02408 0.01377 0.00781 -0.00690 170 2PY -0.05205 0.00102 -0.00405 0.00110 0.01984 171 2PZ 0.03540 0.00833 0.01598 -0.02693 0.01749 172 3S 0.01928 -0.00775 0.02322 -0.00867 0.00750 173 3PX -0.03709 -0.01644 0.00749 0.00798 -0.00701 174 3PY -0.03011 0.00129 -0.00301 0.00069 0.01253 175 3PZ 0.02610 0.00819 0.00990 -0.01914 0.01068 176 4XX 0.00025 0.00094 -0.00058 -0.00039 0.00007 177 4YY -0.00408 -0.00003 -0.00031 0.00013 0.00082 178 4ZZ 0.00221 -0.00048 -0.00042 0.00081 -0.00036 179 4XY -0.00299 -0.00079 0.00053 0.00004 -0.00053 180 4XZ 0.00123 0.00011 -0.00031 0.00027 0.00012 181 4YZ 0.00263 0.00001 0.00060 -0.00083 0.00065 182 20 H 1S 0.00143 -0.00055 -0.00024 0.00047 -0.00017 183 2S -0.00120 -0.00102 -0.00017 0.00083 0.00030 184 21 H 1S 0.00143 -0.00055 -0.00024 0.00047 0.00017 185 2S -0.00121 -0.00102 -0.00017 0.00083 -0.00030 186 22 H 1S -0.00664 -0.00057 0.00081 -0.00195 -0.00002 187 2S -0.00697 0.00090 0.00129 -0.00371 0.00015 188 23 H 1S -0.00664 -0.00057 0.00081 -0.00195 0.00002 189 2S -0.00698 0.00090 0.00129 -0.00371 -0.00015 146 147 148 149 150 146 4XZ 0.00106 147 4YZ 0.00000 0.00274 148 16 C 1S -0.00005 0.00000 2.05255 149 2S 0.00046 -0.00012 -0.06339 0.33288 150 2PX 0.00444 0.00418 0.01203 -0.01861 0.34621 151 2PY 0.00026 0.00250 -0.00506 0.01303 0.04016 152 2PZ 0.00260 -0.00145 0.01511 -0.02721 -0.02221 153 3S -0.00244 0.00005 -0.17203 0.27247 -0.09834 154 3PX 0.00084 0.00060 0.01878 -0.03666 0.16687 155 3PY 0.00049 0.00299 -0.00736 0.00397 0.05104 156 3PZ 0.00027 -0.00241 0.00255 -0.01649 -0.08141 157 4XX 0.00044 0.00103 -0.01177 -0.01308 0.01164 158 4YY -0.00030 -0.00052 -0.01725 -0.00102 -0.00623 159 4ZZ 0.00005 -0.00027 -0.01571 -0.00410 -0.00185 160 4XY 0.00031 0.00013 -0.00020 0.00034 -0.00113 161 4XZ 0.00052 0.00022 -0.00345 0.00809 0.01110 162 4YZ 0.00015 0.00040 -0.00424 0.00860 -0.01262 163 17 H 1S -0.00523 0.00000 -0.00481 0.01265 0.02127 164 2S -0.00337 0.00000 -0.00437 0.01311 0.04174 165 18 H 1S -0.00575 0.00000 -0.00289 0.00540 0.00914 166 2S -0.00384 0.00000 -0.00328 0.00505 -0.00170 167 19 O 1S -0.00149 -0.00458 0.00537 -0.00687 -0.02953 168 2S 0.00368 0.01106 -0.00988 0.01073 0.06594 169 2PX -0.00134 0.01703 0.05683 -0.12361 -0.16693 170 2PY 0.01286 0.02151 -0.02548 0.05165 0.09863 171 2PZ -0.00132 -0.00887 0.03477 -0.06519 -0.17835 172 3S 0.00155 0.00927 0.01404 -0.02641 0.06860 173 3PX -0.00098 0.01035 0.02658 -0.06226 -0.10154 174 3PY 0.00776 0.01360 -0.01946 0.03878 0.07145 175 3PZ -0.00087 -0.00786 0.01512 -0.02655 -0.08265 176 4XX -0.00035 -0.00048 -0.00369 0.00605 -0.00641 177 4YY 0.00098 0.00102 -0.00126 0.00120 0.00465 178 4ZZ -0.00037 -0.00007 -0.00089 0.00060 0.00146 179 4XY -0.00029 0.00044 0.00464 -0.00907 -0.00889 180 4XZ -0.00004 0.00032 -0.00489 0.00780 0.00431 181 4YZ -0.00020 -0.00038 0.00277 -0.00504 -0.01130 182 20 H 1S 0.00018 0.00005 -0.00263 0.00805 -0.02530 183 2S 0.00000 -0.00052 -0.00281 0.01140 -0.05155 184 21 H 1S 0.00018 -0.00005 -0.00124 0.00104 -0.00605 185 2S 0.00000 0.00052 -0.00321 0.00341 -0.02198 186 22 H 1S -0.00069 0.00063 0.01654 -0.03648 0.00832 187 2S 0.00044 0.00038 0.02040 -0.04063 0.02370 188 23 H 1S -0.00069 -0.00063 -0.06820 0.13566 -0.06571 189 2S 0.00044 -0.00038 -0.02048 0.04651 -0.03958 151 152 153 154 155 151 2PY 0.43069 152 2PZ 0.02891 0.37882 153 3S -0.01737 -0.02415 0.30238 154 3PX 0.03759 -0.08371 -0.06511 0.10752 155 3PY 0.12294 -0.01636 0.00109 0.03278 0.05313 156 3PZ -0.01244 0.16318 0.01250 -0.06593 -0.02382 157 4XX -0.00701 0.01131 -0.01110 0.00269 -0.00135 158 4YY 0.01259 -0.00557 -0.00003 0.00019 0.00171 159 4ZZ -0.01309 -0.00482 -0.00313 -0.00075 -0.00225 160 4XY 0.00496 -0.01134 0.00070 0.00125 0.00301 161 4XZ -0.00916 0.00702 0.00262 0.00148 -0.00128 162 4YZ -0.00768 -0.00937 0.01358 -0.00464 -0.00212 163 17 H 1S -0.00579 0.01276 0.00897 0.01226 -0.00076 164 2S 0.00554 0.00479 -0.00498 0.02404 0.00972 165 18 H 1S -0.00538 0.00811 0.02075 0.00567 -0.00940 166 2S -0.00261 0.02479 0.03060 -0.00489 -0.01304 167 19 O 1S 0.00841 -0.02341 0.03365 0.00189 0.00926 168 2S -0.03095 0.05396 -0.08565 -0.00925 -0.02010 169 2PX 0.10827 -0.18560 -0.03605 -0.02843 0.01432 170 2PY -0.03173 0.06630 0.06384 -0.00553 0.04340 171 2PZ 0.07011 -0.08071 -0.07377 -0.06529 0.02437 172 3S 0.04043 0.04689 -0.14501 -0.00221 -0.00576 173 3PX 0.05729 -0.09088 -0.00386 -0.02098 0.00217 174 3PY -0.02507 0.04914 0.04535 -0.00213 0.02759 175 3PZ 0.04075 -0.05658 -0.04401 -0.02601 0.01818 176 4XX -0.00823 0.00739 0.00707 -0.00484 -0.00343 177 4YY -0.00050 0.00290 0.00255 0.00001 0.00238 178 4ZZ -0.00487 -0.00969 0.00268 0.00309 -0.00096 179 4XY -0.00340 -0.01056 -0.00459 -0.00132 -0.00224 180 4XZ -0.00310 -0.00128 0.00512 0.00089 -0.00065 181 4YZ -0.00410 -0.00184 -0.00392 -0.00492 -0.00177 182 20 H 1S -0.00457 0.02413 -0.00339 -0.03165 -0.01293 183 2S -0.00982 0.05074 0.00314 -0.05085 -0.02065 184 21 H 1S -0.00206 0.00384 0.01568 0.00285 0.00665 185 2S -0.00740 0.01342 0.02780 -0.00369 0.00430 186 22 H 1S -0.04030 0.00080 -0.06701 -0.00166 -0.02501 187 2S -0.06419 0.00812 -0.06603 0.00133 -0.02217 188 23 H 1S -0.16920 -0.19078 0.13823 -0.01463 -0.04023 189 2S -0.13843 -0.15451 0.05310 0.00285 -0.02942 156 157 158 159 160 156 3PZ 0.09326 157 4XX 0.00336 0.00284 158 4YY -0.00081 -0.00081 0.00124 159 4ZZ -0.00239 -0.00057 -0.00025 0.00166 160 4XY -0.00445 -0.00068 0.00016 0.00042 0.00146 161 4XZ -0.00019 0.00036 -0.00086 0.00048 -0.00038 162 4YZ -0.00057 -0.00059 0.00001 0.00006 0.00045 163 17 H 1S 0.00418 -0.00346 0.00043 0.00137 0.00038 164 2S -0.00720 -0.00561 0.00070 0.00374 0.00106 165 18 H 1S 0.00564 0.00242 0.00013 -0.00360 -0.00183 166 2S 0.01770 0.00650 0.00011 -0.00765 -0.00380 167 19 O 1S 0.00881 -0.00408 0.00187 -0.00015 0.00472 168 2S -0.02161 0.01019 -0.00416 0.00085 -0.01094 169 2PX -0.03341 0.00967 0.00837 -0.01393 0.00471 170 2PY 0.00081 0.01247 -0.01670 0.00483 0.01114 171 2PZ -0.03147 -0.02966 0.00734 0.02319 0.01508 172 3S -0.03622 0.00915 -0.00037 -0.00055 -0.01372 173 3PX -0.00671 0.00838 0.00484 -0.01120 0.00028 174 3PY 0.00144 0.00827 -0.01109 0.00301 0.00645 175 3PZ -0.02934 -0.02041 0.00453 0.01586 0.00910 176 4XX 0.00474 -0.00053 -0.00009 0.00032 -0.00036 177 4YY 0.00049 0.00073 -0.00086 0.00021 0.00086 178 4ZZ -0.00347 -0.00006 0.00012 -0.00011 0.00000 179 4XY -0.00177 0.00044 0.00033 -0.00031 0.00003 180 4XZ -0.00175 0.00015 -0.00020 -0.00014 -0.00023 181 4YZ 0.00035 -0.00104 0.00016 0.00112 0.00036 182 20 H 1S 0.01169 0.00042 -0.00006 -0.00121 -0.00009 183 2S 0.02778 0.00044 -0.00015 -0.00139 -0.00071 184 21 H 1S 0.00496 -0.00012 0.00032 -0.00055 -0.00128 185 2S 0.01380 0.00000 0.00033 -0.00111 -0.00256 186 22 H 1S 0.00188 0.00286 0.00067 0.00200 -0.00225 187 2S -0.00048 0.00382 -0.00248 0.00396 -0.00105 188 23 H 1S -0.06420 -0.01030 -0.00133 0.00728 0.00491 189 2S -0.05323 -0.00710 -0.00114 0.00780 0.00503 161 162 163 164 165 161 4XZ 0.00147 162 4YZ -0.00023 0.00192 163 17 H 1S 0.00037 -0.00170 0.22350 164 2S 0.00177 -0.00353 0.17399 0.16572 165 18 H 1S -0.00183 0.00070 -0.04299 -0.08219 0.22401 166 2S -0.00289 0.00148 -0.08902 -0.12033 0.18439 167 19 O 1S -0.00482 0.00418 0.01026 0.00570 0.00889 168 2S 0.01112 -0.00916 -0.02490 -0.01482 -0.02014 169 2PX -0.02047 0.01404 -0.06499 -0.11691 0.02514 170 2PY 0.01396 0.00988 -0.01387 -0.03139 -0.01451 171 2PZ -0.00360 -0.00087 0.02890 0.07565 -0.07388 172 3S 0.00833 -0.01643 -0.04016 -0.01085 -0.04560 173 3PX -0.01239 0.00876 -0.05426 -0.08762 0.02839 174 3PY 0.00952 0.00552 -0.00600 -0.01562 -0.00974 175 3PZ -0.00057 -0.00239 0.03093 0.06848 -0.06367 176 4XX 0.00026 0.00009 0.00638 0.00588 -0.00188 177 4YY 0.00067 0.00082 -0.00047 -0.00281 0.00010 178 4ZZ -0.00029 0.00035 -0.00214 -0.00286 0.00617 179 4XY -0.00095 0.00054 0.00191 -0.00179 0.00032 180 4XZ 0.00045 0.00007 0.00194 0.00098 0.00215 181 4YZ -0.00013 0.00011 0.00018 0.00080 0.00169 182 20 H 1S 0.00067 0.00002 -0.00241 -0.00706 0.00356 183 2S 0.00051 0.00017 -0.00501 -0.01208 0.00648 184 21 H 1S 0.00051 0.00126 -0.00241 -0.00705 0.00356 185 2S 0.00036 0.00282 -0.00501 -0.01208 0.00648 186 22 H 1S 0.00135 -0.00732 -0.00083 -0.00208 -0.00729 187 2S 0.00287 -0.00649 0.00156 0.00583 -0.01728 188 23 H 1S 0.00219 0.01375 -0.00083 -0.00208 -0.00729 189 2S 0.00106 0.00999 0.00156 0.00583 -0.01727 166 167 168 169 170 166 2S 0.19878 167 19 O 1S 0.00532 2.07557 168 2S -0.01017 -0.17799 0.50359 169 2PX 0.08190 -0.01251 0.02850 0.64791 170 2PY -0.02789 0.03973 -0.07464 -0.02586 0.66562 171 2PZ -0.15916 -0.00478 0.00375 -0.13783 -0.04102 172 3S -0.02896 -0.24523 0.59250 0.04942 -0.21999 173 3PX 0.07369 -0.00938 0.02093 0.40599 -0.03487 174 3PY -0.01831 0.02573 -0.04921 -0.03536 0.42235 175 3PZ -0.12026 -0.00453 0.00464 -0.14600 -0.04619 176 4XX -0.00272 -0.01520 -0.00285 -0.01349 -0.00530 177 4YY -0.00145 -0.01267 -0.00833 0.00249 0.04105 178 4ZZ 0.00636 -0.01397 -0.00547 0.00533 -0.00589 179 4XY 0.00176 -0.00150 0.00344 0.02796 -0.00808 180 4XZ 0.00178 -0.00372 0.00792 -0.00237 0.00090 181 4YZ -0.00307 -0.00139 0.00292 -0.00402 -0.00308 182 20 H 1S 0.00220 -0.00177 0.00219 -0.00117 0.00041 183 2S 0.00729 -0.00270 0.00417 -0.00434 -0.00207 184 21 H 1S 0.00220 0.00058 -0.00069 0.00313 0.00275 185 2S 0.00730 0.00121 -0.00104 0.01766 0.00415 186 22 H 1S -0.01839 -0.00352 0.00990 -0.02878 0.01996 187 2S -0.03271 -0.00324 0.00967 -0.05948 0.04325 188 23 H 1S -0.01839 0.01458 -0.02981 0.01401 0.01735 189 2S -0.03270 0.01572 -0.03188 0.01598 0.02196 171 172 173 174 175 171 2PZ 0.71650 172 3S 0.05273 0.75617 173 3PX -0.15870 0.03229 0.26577 174 3PY -0.03769 -0.14006 -0.03225 0.26980 175 3PZ 0.46280 0.04136 -0.13780 -0.03459 0.30849 176 4XX 0.00322 -0.00421 -0.00785 -0.00286 0.00301 177 4YY -0.00245 -0.01836 0.00029 0.02560 -0.00327 178 4ZZ -0.00731 -0.00646 0.00401 -0.00371 -0.00472 179 4XY -0.00450 0.00490 0.01726 -0.00594 -0.00506 180 4XZ -0.00743 0.00741 -0.00077 0.00087 -0.00424 181 4YZ 0.02923 0.00413 -0.00508 -0.00252 0.01812 182 20 H 1S -0.00143 0.01642 -0.00081 0.00446 -0.00560 183 2S 0.00442 0.01706 -0.00079 0.00283 -0.00444 184 21 H 1S -0.00693 -0.00618 0.00336 0.00131 -0.00539 185 2S -0.02058 -0.01248 0.01546 0.00143 -0.01641 186 22 H 1S -0.00586 0.01898 -0.02013 0.01569 -0.00329 187 2S 0.00657 0.01364 -0.04088 0.03097 0.00722 188 23 H 1S 0.04332 -0.07740 0.00237 0.00922 0.03206 189 2S 0.07308 -0.06866 -0.00174 0.01053 0.04917 176 177 178 179 180 176 4XX 0.00104 177 4YY -0.00033 0.00294 178 4ZZ 0.00002 -0.00023 0.00079 179 4XY -0.00037 -0.00030 0.00034 0.00161 180 4XZ 0.00009 -0.00005 0.00011 -0.00008 0.00045 181 4YZ 0.00023 -0.00015 -0.00019 0.00006 -0.00028 182 20 H 1S 0.00021 -0.00032 -0.00157 -0.00023 0.00065 183 2S 0.00130 -0.00042 -0.00217 -0.00037 0.00047 184 21 H 1S 0.00001 0.00039 0.00029 0.00021 -0.00001 185 2S 0.00042 0.00062 0.00048 0.00079 -0.00008 186 22 H 1S -0.00004 0.00060 -0.00074 0.00076 -0.00092 187 2S 0.00016 0.00203 -0.00140 -0.00066 -0.00084 188 23 H 1S 0.00288 0.00091 0.00570 0.00313 0.00366 189 2S 0.00109 0.00185 0.00403 0.00327 0.00123 181 182 183 184 185 181 4YZ 0.00151 182 20 H 1S 0.00028 0.21529 183 2S 0.00097 0.17308 0.15893 184 21 H 1S 0.00001 -0.03157 -0.03521 0.21529 185 2S -0.00007 -0.03522 -0.03752 0.17308 0.15893 186 22 H 1S 0.00110 0.00248 0.00447 -0.00511 -0.01065 187 2S 0.00143 0.00465 0.00591 -0.00977 -0.01718 188 23 H 1S 0.00319 -0.00511 -0.01065 0.00248 0.00447 189 2S 0.00428 -0.00977 -0.01717 0.00465 0.00591 186 187 188 189 186 22 H 1S 0.21549 187 2S 0.15285 0.12396 188 23 H 1S -0.01120 -0.00665 0.21549 189 2S -0.00665 0.00087 0.15285 0.12396 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 2.05271 2 2S -0.01361 0.32496 3 2PX 0.00000 0.00000 0.36897 4 2PY 0.00000 0.00000 0.00000 0.41335 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.39023 6 3S -0.02961 0.20116 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.10335 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.07887 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.09568 10 4XX -0.00113 -0.00672 0.00000 0.00000 0.00000 11 4YY -0.00134 -0.00218 0.00000 0.00000 0.00000 12 4ZZ -0.00127 -0.00380 0.00000 0.00000 0.00000 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00000 -0.00058 -0.00143 -0.00062 -0.00090 17 2S -0.00054 0.01134 0.02093 0.00935 0.01263 18 2PX -0.00132 0.02022 -0.00057 0.01791 0.03916 19 2PY -0.00067 0.00936 0.01825 -0.00036 0.00745 20 2PZ -0.00092 0.01358 0.03418 0.00932 0.00059 21 3S -0.00055 0.01143 0.02146 0.00590 0.01306 22 3PX -0.00102 0.01277 0.00242 0.00816 0.02061 23 3PY -0.00059 0.00675 0.00702 -0.00073 0.00274 24 3PZ -0.00032 0.00387 0.01528 0.00376 0.00259 25 4XX -0.00004 0.00057 -0.00099 0.00080 0.00133 26 4YY 0.00002 -0.00045 -0.00024 -0.00025 -0.00019 27 4ZZ 0.00000 -0.00019 0.00034 0.00013 -0.00071 28 4XY -0.00008 0.00083 0.00030 -0.00003 0.00116 29 4XZ -0.00011 0.00116 0.00034 0.00095 0.00003 30 4YZ -0.00006 0.00065 0.00116 -0.00001 0.00009 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 -0.00004 -0.00005 0.00000 -0.00015 33 2PX 0.00000 -0.00007 0.00000 0.00000 -0.00022 34 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 35 2PZ 0.00000 -0.00017 -0.00033 0.00000 -0.00022 36 3S 0.00004 -0.00076 0.00005 0.00002 -0.00378 37 3PX 0.00004 -0.00064 0.00002 -0.00002 -0.00115 38 3PY 0.00000 0.00004 0.00002 0.00013 0.00009 39 3PZ 0.00012 -0.00216 -0.00313 0.00004 -0.00217 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00002 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00004 0.00000 -0.00001 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00001 -0.00001 0.00000 0.00008 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 48 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 49 2PY 0.00000 0.00000 -0.00002 0.00001 0.00000 50 2PZ 0.00000 -0.00001 0.00001 -0.00002 -0.00002 51 3S 0.00002 -0.00039 -0.00025 -0.00036 -0.00016 52 3PX 0.00000 -0.00005 0.00000 -0.00003 -0.00005 53 3PY 0.00001 -0.00022 -0.00053 0.00010 0.00006 54 3PZ 0.00002 -0.00032 0.00017 -0.00075 -0.00016 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00009 -0.00001 -0.00030 -0.00005 63 2PX 0.00000 -0.00011 0.00001 -0.00025 -0.00008 64 2PY 0.00000 -0.00024 -0.00002 -0.00053 -0.00005 65 2PZ 0.00000 -0.00005 -0.00006 -0.00010 0.00000 66 3S 0.00004 -0.00122 -0.00102 -0.00148 -0.00108 67 3PX 0.00004 -0.00090 -0.00004 -0.00124 -0.00095 68 3PY 0.00006 -0.00155 -0.00010 0.00064 -0.00066 69 3PZ 0.00003 -0.00048 -0.00104 -0.00151 -0.00021 70 4XX 0.00000 0.00000 -0.00001 -0.00001 0.00001 71 4YY 0.00000 0.00003 0.00001 0.00014 0.00000 72 4ZZ 0.00000 0.00000 0.00001 -0.00001 0.00000 73 4XY 0.00000 0.00001 0.00000 0.00006 0.00001 74 4XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 75 4YZ 0.00000 0.00001 0.00001 0.00004 0.00000 76 6 C 1S 0.00000 -0.00047 0.00000 -0.00258 0.00000 77 2S -0.00047 0.00970 0.00000 0.04008 0.00000 78 2PX 0.00000 0.00000 0.01116 0.00000 0.00000 79 2PY -0.00258 0.04008 0.00000 0.09681 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00839 81 3S -0.00027 0.01148 0.00000 0.03098 0.00000 82 3PX 0.00000 0.00000 0.01910 0.00000 0.00000 83 3PY -0.00172 0.02369 0.00000 0.01764 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.01655 85 4XX 0.00000 -0.00042 0.00000 -0.00106 0.00000 86 4YY -0.00026 0.00362 0.00000 0.00223 0.00000 87 4ZZ 0.00000 -0.00047 0.00000 -0.00112 0.00000 88 4XY 0.00000 0.00000 0.00201 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00210 91 7 H 1S -0.00198 0.03084 0.02436 0.02407 0.04946 92 2S -0.00120 0.01190 0.01601 0.01556 0.03424 93 8 H 1S 0.00000 -0.00019 -0.00019 -0.00047 -0.00007 94 2S 0.00019 -0.00267 -0.00256 -0.00651 -0.00039 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00015 -0.00001 0.00002 0.00041 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00000 0.00001 0.00001 -0.00001 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00013 0.00003 0.00051 0.00001 101 12 H 1S 0.00000 -0.00017 -0.00007 -0.00057 -0.00007 102 2S 0.00019 -0.00265 -0.00091 -0.00839 -0.00152 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 105 2PX 0.00000 -0.00002 -0.00008 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00001 -0.00022 -0.00141 0.00000 -0.00006 109 3PX 0.00004 -0.00065 -0.00046 0.00000 0.00001 110 3PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 111 3PZ 0.00000 -0.00006 -0.00019 0.00000 -0.00011 112 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 -0.00003 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 -0.00005 -0.00055 -0.00007 -0.00003 154 3PX 0.00000 -0.00017 -0.00188 -0.00021 -0.00012 155 3PY 0.00000 -0.00002 0.00051 0.00001 0.00004 156 3PZ 0.00000 0.00000 -0.00014 -0.00002 0.00020 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 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 0.00000 0.00001 -0.00002 -0.00001 0.00010 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 185 2S 0.00000 -0.00006 0.00013 0.00000 -0.00054 186 22 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 187 2S 0.00000 -0.00003 -0.00048 0.00002 -0.00005 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00011 0.00000 0.00003 6 7 8 9 10 6 3S 0.25010 7 3PX 0.00000 0.11999 8 3PY 0.00000 0.00000 0.06237 9 3PZ 0.00000 0.00000 0.00000 0.09330 10 4XX -0.00354 0.00000 0.00000 0.00000 0.00092 11 4YY -0.00196 0.00000 0.00000 0.00000 -0.00008 12 4ZZ -0.00155 0.00000 0.00000 0.00000 0.00007 13 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 14 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 2 C 1S 0.00070 -0.00061 -0.00036 0.00035 -0.00003 17 2S 0.00574 0.01224 0.00249 0.00196 0.00050 18 2PX 0.00750 0.00366 0.01210 0.01595 -0.00076 19 2PY 0.01237 0.00805 0.00132 0.00065 0.00066 20 2PZ 0.00722 0.01437 0.00369 0.00349 0.00099 21 3S -0.01475 0.01146 0.00031 0.00069 0.00113 22 3PX -0.00312 0.01822 0.01057 0.01516 -0.00122 23 3PY 0.00540 0.00359 0.00090 -0.00047 0.00038 24 3PZ 0.00232 0.01266 -0.00004 0.01140 0.00142 25 4XX 0.00123 -0.00161 0.00080 0.00174 -0.00002 26 4YY -0.00158 -0.00022 -0.00043 -0.00022 -0.00004 27 4ZZ 0.00062 0.00152 -0.00031 -0.00113 0.00005 28 4XY 0.00021 0.00001 0.00000 0.00013 -0.00003 29 4XZ 0.00039 -0.00002 0.00016 0.00002 -0.00001 30 4YZ 0.00020 0.00018 -0.00002 0.00003 0.00000 31 3 C 1S 0.00002 0.00001 0.00000 0.00012 0.00000 32 2S -0.00042 0.00002 -0.00003 -0.00177 0.00000 33 2PX -0.00083 0.00015 -0.00008 -0.00219 0.00000 34 2PY -0.00002 -0.00002 0.00019 0.00001 0.00000 35 2PZ -0.00011 -0.00079 -0.00014 0.00070 0.00001 36 3S 0.00248 0.00384 -0.00018 -0.00950 0.00010 37 3PX -0.00096 0.00004 -0.00014 -0.00300 0.00000 38 3PY 0.00009 -0.00003 0.00105 0.00013 0.00000 39 3PZ 0.00151 -0.00198 -0.00016 0.00127 0.00004 40 4XX 0.00006 -0.00008 0.00001 0.00026 0.00000 41 4YY -0.00007 -0.00007 0.00000 -0.00002 0.00000 42 4ZZ 0.00005 0.00033 -0.00001 -0.00022 0.00000 43 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 44 4XZ 0.00006 -0.00006 0.00001 0.00029 0.00000 45 4YZ 0.00000 0.00000 -0.00005 0.00000 0.00000 46 4 C 1S 0.00001 0.00000 0.00001 0.00001 0.00000 47 2S -0.00036 0.00006 -0.00018 -0.00042 0.00000 48 2PX -0.00014 0.00004 -0.00033 -0.00003 0.00000 49 2PY -0.00023 -0.00038 0.00008 0.00010 0.00000 50 2PZ -0.00137 -0.00006 -0.00076 -0.00117 0.00000 51 3S -0.00468 -0.00148 -0.00260 -0.00055 -0.00002 52 3PX -0.00064 0.00000 -0.00082 0.00000 -0.00001 53 3PY -0.00149 -0.00158 0.00001 0.00079 -0.00003 54 3PZ -0.00522 -0.00027 -0.00249 -0.00211 0.00001 55 4XX 0.00004 0.00001 0.00003 0.00004 0.00000 56 4YY 0.00001 0.00001 0.00003 -0.00005 0.00000 57 4ZZ -0.00005 -0.00002 -0.00009 0.00001 0.00000 58 4XY -0.00001 0.00000 0.00001 -0.00001 0.00000 59 4XZ 0.00000 0.00001 0.00001 -0.00002 0.00000 60 4YZ 0.00001 0.00000 0.00001 0.00003 0.00000 61 5 C 1S -0.00002 -0.00006 0.00010 -0.00004 0.00000 62 2S -0.00118 0.00040 -0.00274 -0.00007 0.00000 63 2PX 0.00136 -0.00041 0.00143 0.00025 0.00000 64 2PY -0.00557 -0.00006 -0.00579 0.00006 0.00000 65 2PZ 0.00025 -0.00025 -0.00045 -0.00044 0.00000 66 3S -0.00157 -0.00090 -0.00347 -0.00043 0.00000 67 3PX 0.00466 -0.00293 0.00394 -0.00051 0.00010 68 3PY -0.00670 0.00027 -0.00164 -0.00011 0.00004 69 3PZ -0.00143 -0.00242 -0.00328 -0.00241 -0.00007 70 4XX -0.00002 -0.00013 -0.00004 0.00017 0.00000 71 4YY 0.00046 0.00005 0.00070 -0.00004 0.00000 72 4ZZ -0.00017 0.00010 -0.00027 -0.00007 0.00000 73 4XY 0.00008 0.00000 0.00010 0.00004 0.00000 74 4XZ -0.00002 -0.00001 -0.00001 0.00001 0.00000 75 4YZ 0.00005 0.00005 0.00006 0.00000 0.00000 76 6 C 1S -0.00027 0.00000 -0.00172 0.00000 0.00000 77 2S 0.01148 0.00000 0.02369 0.00000 -0.00042 78 2PX 0.00000 0.01910 0.00000 0.00000 0.00000 79 2PY 0.03098 0.00000 0.01764 0.00000 -0.00106 80 2PZ 0.00000 0.00000 0.00000 0.01655 0.00000 81 3S -0.00963 0.00000 0.00844 0.00000 -0.00148 82 3PX 0.00000 0.02602 0.00000 0.00000 0.00000 83 3PY 0.00844 0.00000 0.00146 0.00000 -0.00163 84 3PZ 0.00000 0.00000 0.00000 0.02467 0.00000 85 4XX -0.00148 0.00000 -0.00163 0.00000 0.00001 86 4YY 0.00401 0.00000 0.00113 0.00000 -0.00004 87 4ZZ -0.00135 0.00000 -0.00110 0.00000 0.00001 88 4XY 0.00000 0.00097 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00084 0.00000 91 7 H 1S 0.04347 0.00828 0.01001 0.02191 -0.00039 92 2S 0.03825 0.00516 0.00740 0.02134 0.00026 93 8 H 1S -0.00450 -0.00158 -0.00036 -0.00043 -0.00001 94 2S -0.01535 -0.00582 -0.00203 -0.00017 -0.00026 95 9 H 1S 0.00005 -0.00005 0.00005 0.00015 0.00000 96 2S 0.00079 -0.00100 0.00047 0.00247 -0.00001 97 10 H 1S 0.00001 0.00001 0.00002 0.00000 0.00000 98 2S 0.00036 0.00036 0.00040 -0.00010 0.00000 99 11 H 1S 0.00015 0.00000 0.00033 0.00000 0.00000 100 2S 0.00219 0.00018 0.00392 -0.00004 0.00000 101 12 H 1S -0.00417 0.00012 -0.00334 0.00019 0.00000 102 2S -0.01700 0.00059 -0.01421 -0.00033 0.00011 103 13 C 1S 0.00001 0.00006 0.00000 0.00000 0.00000 104 2S -0.00029 -0.00144 0.00000 -0.00004 0.00000 105 2PX 0.00030 -0.00169 0.00000 -0.00016 0.00001 106 2PY 0.00000 -0.00001 -0.00003 0.00000 0.00000 107 2PZ -0.00001 -0.00008 0.00000 0.00001 0.00000 108 3S -0.00022 -0.00786 0.00001 -0.00039 0.00005 109 3PX 0.00035 -0.00258 0.00001 -0.00020 0.00034 110 3PY 0.00000 -0.00002 -0.00005 0.00000 0.00000 111 3PZ 0.00006 -0.00044 0.00000 0.00051 0.00003 112 4XX -0.00004 0.00027 0.00000 0.00003 0.00000 113 4YY 0.00001 -0.00003 0.00000 0.00000 0.00000 114 4ZZ 0.00001 -0.00001 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 116 4XZ 0.00000 0.00002 0.00000 -0.00001 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00024 0.00001 -0.00003 0.00000 124 3PX 0.00008 0.00030 0.00004 0.00002 0.00000 125 3PY -0.00002 -0.00003 0.00001 0.00000 0.00000 126 3PZ -0.00003 -0.00005 0.00000 0.00003 0.00000 127 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S -0.00001 -0.00004 0.00000 0.00000 0.00000 139 3PX 0.00000 -0.00003 0.00000 0.00001 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 -0.00005 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 149 2S 0.00003 -0.00038 -0.00004 -0.00003 0.00000 150 2PX -0.00037 -0.00238 -0.00037 -0.00012 0.00000 151 2PY 0.00000 0.00019 -0.00001 0.00002 0.00000 152 2PZ -0.00002 -0.00018 -0.00002 0.00015 0.00000 153 3S -0.00076 -0.00413 -0.00081 -0.00023 0.00000 154 3PX -0.00191 -0.00956 -0.00165 -0.00061 0.00000 155 3PY -0.00001 0.00282 0.00000 0.00017 0.00000 156 3PZ -0.00021 -0.00096 -0.00014 0.00122 0.00000 157 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 158 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 159 4ZZ 0.00001 0.00003 0.00000 0.00000 0.00000 160 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 161 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00001 0.00000 0.00000 0.00000 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S -0.00001 -0.00005 0.00000 0.00001 0.00000 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00002 0.00006 0.00001 0.00000 0.00000 173 3PX 0.00004 0.00032 0.00005 -0.00003 0.00000 174 3PY 0.00001 0.00002 0.00000 0.00001 0.00000 175 3PZ 0.00000 -0.00004 0.00000 -0.00001 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00004 0.00000 -0.00002 0.00010 0.00000 183 2S 0.00052 -0.00015 -0.00030 0.00142 0.00000 184 21 H 1S -0.00011 0.00013 -0.00002 -0.00097 0.00000 185 2S -0.00081 0.00059 -0.00011 -0.00406 0.00002 186 22 H 1S -0.00008 -0.00081 0.00003 -0.00026 0.00000 187 2S -0.00017 -0.00194 0.00021 -0.00063 -0.00004 188 23 H 1S 0.00002 0.00006 0.00002 0.00000 0.00000 189 2S 0.00017 0.00120 0.00023 0.00028 0.00000 11 12 13 14 15 11 4YY 0.00114 12 4ZZ -0.00006 0.00089 13 4XY 0.00000 0.00000 0.00095 14 4XZ 0.00000 0.00000 0.00000 0.00067 15 4YZ 0.00000 0.00000 0.00000 0.00000 0.00117 16 2 C 1S 0.00001 0.00000 -0.00008 -0.00009 -0.00007 17 2S -0.00046 0.00001 0.00083 0.00096 0.00068 18 2PX -0.00034 0.00041 0.00020 0.00031 0.00124 19 2PY -0.00027 0.00025 -0.00002 0.00105 -0.00001 20 2PZ -0.00033 -0.00055 0.00121 -0.00005 0.00005 21 3S -0.00076 -0.00044 0.00045 0.00026 0.00036 22 3PX 0.00008 0.00087 0.00000 -0.00001 0.00030 23 3PY -0.00056 -0.00013 0.00002 0.00009 0.00001 24 3PZ -0.00054 -0.00080 0.00025 0.00002 0.00004 25 4XX -0.00003 0.00002 0.00000 0.00000 -0.00007 26 4YY 0.00004 -0.00006 0.00000 -0.00010 0.00000 27 4ZZ -0.00005 0.00002 -0.00010 0.00001 -0.00002 28 4XY 0.00000 -0.00005 0.00001 0.00000 0.00001 29 4XZ -0.00005 0.00001 -0.00001 0.00003 0.00000 30 4YZ 0.00000 -0.00002 0.00000 0.00000 0.00000 31 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 32 2S 0.00000 0.00001 0.00000 0.00001 0.00000 33 2PX 0.00000 0.00002 0.00000 0.00001 0.00000 34 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 35 2PZ 0.00000 0.00006 0.00000 0.00005 0.00000 36 3S -0.00012 0.00019 0.00000 0.00008 -0.00001 37 3PX -0.00003 0.00015 0.00000 0.00001 0.00000 38 3PY 0.00000 -0.00001 -0.00003 0.00000 -0.00001 39 3PZ -0.00015 0.00050 -0.00001 0.00018 0.00000 40 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 41 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 42 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 43 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 44 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 0.00000 0.00000 0.00000 0.00000 48 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 49 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 0.00003 0.00003 0.00000 -0.00001 -0.00004 52 3PX 0.00000 0.00001 0.00000 0.00000 -0.00001 53 3PY 0.00004 -0.00002 0.00000 -0.00002 0.00001 54 3PZ -0.00002 0.00003 -0.00003 0.00000 -0.00001 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00002 0.00000 0.00002 0.00000 0.00001 63 2PX 0.00001 0.00000 0.00000 0.00000 0.00005 64 2PY 0.00006 0.00000 0.00006 0.00000 0.00002 65 2PZ 0.00002 0.00000 0.00004 0.00000 0.00000 66 3S 0.00009 0.00005 0.00014 0.00000 0.00009 67 3PX -0.00006 -0.00002 0.00001 0.00000 0.00018 68 3PY 0.00012 0.00000 0.00014 0.00001 0.00006 69 3PZ 0.00006 0.00005 0.00012 0.00000 0.00002 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.00026 0.00000 0.00000 0.00000 0.00000 77 2S 0.00362 -0.00047 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00000 0.00201 0.00000 0.00000 79 2PY 0.00223 -0.00112 0.00000 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00210 81 3S 0.00401 -0.00135 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 0.00097 0.00000 0.00000 83 3PY 0.00113 -0.00110 0.00000 0.00000 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.00084 85 4XX -0.00004 0.00001 0.00000 0.00000 0.00000 86 4YY -0.00008 -0.00004 0.00000 0.00000 0.00000 87 4ZZ -0.00004 0.00002 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 -0.00012 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 -0.00022 91 7 H 1S -0.00082 0.00160 0.00114 0.00172 0.00226 92 2S -0.00135 0.00254 0.00027 0.00030 0.00052 93 8 H 1S 0.00009 -0.00001 0.00004 -0.00001 0.00002 94 2S 0.00097 -0.00025 0.00009 -0.00008 0.00008 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00000 0.00000 0.00000 0.00000 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S -0.00001 -0.00001 -0.00001 0.00000 0.00000 101 12 H 1S 0.00002 0.00000 0.00003 0.00000 0.00005 102 2S -0.00017 0.00014 0.00012 0.00000 0.00026 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S -0.00002 0.00000 0.00000 0.00000 0.00000 109 3PX -0.00007 -0.00009 0.00000 0.00000 0.00000 110 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 111 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 -0.00001 0.00000 0.00000 154 3PX -0.00001 0.00000 0.00001 0.00000 0.00000 155 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 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 0.00000 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 -0.00004 0.00000 -0.00001 -0.00001 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00002 -0.00001 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 2 C 1S 2.05499 17 2S -0.01344 0.32633 18 2PX 0.00000 0.00000 0.35440 19 2PY 0.00000 0.00000 0.00000 0.41151 20 2PZ 0.00000 0.00000 0.00000 0.00000 0.38399 21 3S -0.03645 0.23613 0.00000 0.00000 0.00000 22 3PX 0.00000 0.00000 0.11188 0.00000 0.00000 23 3PY 0.00000 0.00000 0.00000 0.07408 0.00000 24 3PZ 0.00000 0.00000 0.00000 0.00000 0.09697 25 4XX -0.00090 -0.00921 0.00000 0.00000 0.00000 26 4YY -0.00145 0.00112 0.00000 0.00000 0.00000 27 4ZZ -0.00111 -0.00519 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 -0.00019 -0.00012 -0.00024 -0.00095 32 2S -0.00020 0.00510 0.00225 0.00424 0.01884 33 2PX -0.00009 0.00177 0.00002 0.00094 0.00648 34 2PY -0.00019 0.00372 0.00070 -0.00061 0.01258 35 2PZ -0.00117 0.02397 0.00789 0.01391 0.04482 36 3S 0.00013 0.00692 0.00564 0.00982 0.01743 37 3PX -0.00008 0.00179 0.00000 0.00068 0.00365 38 3PY -0.00024 0.00226 0.00058 0.00034 0.00760 39 3PZ -0.00127 0.01980 0.00425 0.00822 0.01548 40 4XX 0.00000 -0.00030 0.00003 -0.00007 -0.00038 41 4YY 0.00000 -0.00018 -0.00003 -0.00006 -0.00029 42 4ZZ -0.00007 0.00165 0.00057 0.00108 0.00023 43 4XY 0.00000 0.00007 0.00004 0.00000 0.00021 44 4XZ -0.00002 0.00039 0.00047 0.00020 0.00058 45 4YZ -0.00005 0.00083 0.00023 0.00005 0.00129 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00000 -0.00002 0.00000 -0.00008 -0.00005 48 2PX 0.00000 0.00000 0.00000 -0.00001 0.00000 49 2PY 0.00000 -0.00011 0.00000 -0.00027 -0.00017 50 2PZ 0.00000 -0.00004 0.00000 -0.00004 -0.00006 51 3S 0.00000 -0.00058 -0.00039 -0.00336 0.00006 52 3PX 0.00000 -0.00008 0.00020 -0.00018 0.00002 53 3PY 0.00009 -0.00203 -0.00020 -0.00450 -0.00131 54 3PZ 0.00000 -0.00047 -0.00018 -0.00023 -0.00028 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 57 4ZZ 0.00000 0.00000 0.00000 -0.00001 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 0.00001 0.00000 0.00003 0.00002 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00002 0.00000 -0.00007 0.00000 63 2PX 0.00000 0.00000 -0.00004 0.00000 0.00000 64 2PY 0.00000 -0.00007 0.00000 -0.00020 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 66 3S 0.00007 -0.00089 0.00000 -0.00117 0.00000 67 3PX 0.00000 0.00000 -0.00148 0.00000 0.00000 68 3PY 0.00011 -0.00067 0.00000 0.00120 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00097 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00001 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00009 -0.00011 -0.00024 -0.00005 78 2PX 0.00000 -0.00001 0.00001 -0.00002 -0.00006 79 2PY 0.00000 -0.00030 -0.00025 -0.00053 -0.00010 80 2PZ 0.00000 -0.00005 -0.00008 -0.00005 0.00000 81 3S -0.00002 -0.00118 0.00136 -0.00557 0.00025 82 3PX -0.00006 0.00040 -0.00041 -0.00006 -0.00025 83 3PY 0.00010 -0.00274 0.00143 -0.00579 -0.00045 84 3PZ -0.00004 -0.00007 0.00025 0.00006 -0.00044 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00002 0.00001 0.00006 0.00002 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00002 0.00000 0.00006 0.00004 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00001 0.00005 0.00002 0.00000 91 7 H 1S 0.00000 -0.00020 -0.00035 0.00000 -0.00037 92 2S 0.00026 -0.00342 -0.00577 0.00001 -0.00550 93 8 H 1S -0.00196 0.03098 0.00105 0.09692 0.00069 94 2S -0.00121 0.01237 0.00024 0.06457 0.00048 95 9 H 1S 0.00000 -0.00015 -0.00026 0.00000 -0.00029 96 2S 0.00020 -0.00288 -0.00584 -0.00011 -0.00246 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00009 0.00011 0.00015 0.00006 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00002 0.00000 0.00006 0.00000 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00013 0.00023 0.00019 0.00011 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 -0.00008 0.00013 0.00001 0.00005 105 2PX 0.00000 0.00003 0.00204 0.00028 0.00071 106 2PY 0.00000 -0.00002 0.00020 -0.00001 0.00004 107 2PZ 0.00000 0.00007 0.00111 0.00010 0.00022 108 3S 0.00016 -0.00065 0.00234 0.00090 -0.00066 109 3PX 0.00003 -0.00040 0.00812 0.00149 0.00513 110 3PY 0.00000 -0.00033 0.00105 0.00026 0.00060 111 3PZ 0.00004 0.00025 0.00632 0.00056 0.00003 112 4XX 0.00000 0.00003 0.00012 0.00002 0.00006 113 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 114 4ZZ 0.00000 0.00000 -0.00003 0.00000 -0.00001 115 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 116 4XZ 0.00000 0.00002 0.00007 0.00001 0.00001 117 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 -0.00009 0.00000 0.00001 124 3PX 0.00000 -0.00011 -0.00099 -0.00002 -0.00003 125 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 126 3PZ 0.00000 -0.00001 -0.00009 0.00000 0.00005 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00002 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 -0.00020 -0.00015 -0.00051 0.00013 154 3PX 0.00001 -0.00047 -0.00029 -0.00024 -0.00025 155 3PY -0.00001 0.00003 -0.00009 -0.00035 0.00017 156 3PZ 0.00000 -0.00022 -0.00033 -0.00015 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00003 0.00000 -0.00001 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 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 0.00000 0.00006 0.00001 0.00010 0.00023 184 21 H 1S 0.00000 -0.00019 0.00001 -0.00001 -0.00045 185 2S 0.00018 -0.00332 -0.00013 -0.00012 -0.00666 186 22 H 1S 0.00000 -0.00002 -0.00005 0.00000 -0.00004 187 2S 0.00003 -0.00065 -0.00108 0.00000 -0.00122 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00002 0.00003 0.00003 0.00003 21 22 23 24 25 21 3S 0.30063 22 3PX 0.00000 0.12487 23 3PY 0.00000 0.00000 0.05321 24 3PZ 0.00000 0.00000 0.00000 0.09659 25 4XX -0.00711 0.00000 0.00000 0.00000 0.00149 26 4YY 0.00243 0.00000 0.00000 0.00000 -0.00017 27 4ZZ -0.00427 0.00000 0.00000 0.00000 0.00002 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 -0.00008 -0.00013 -0.00030 -0.00056 0.00000 32 2S 0.00439 0.00144 0.00327 0.01093 -0.00025 33 2PX 0.00232 0.00002 0.00013 0.00151 0.00003 34 2PY 0.00318 0.00032 -0.00170 0.00724 -0.00003 35 2PZ 0.02221 0.00379 0.00268 0.01200 -0.00056 36 3S 0.00012 0.00757 0.00649 -0.00033 -0.00076 37 3PX 0.00180 -0.00074 -0.00003 0.00122 -0.00020 38 3PY 0.00225 0.00009 -0.00189 0.00562 -0.00013 39 3PZ 0.01207 0.00263 0.00065 0.00190 -0.00046 40 4XX -0.00096 -0.00026 0.00001 0.00003 0.00002 41 4YY -0.00038 -0.00014 -0.00034 -0.00005 0.00000 42 4ZZ 0.00238 0.00065 0.00048 -0.00049 -0.00005 43 4XY 0.00004 0.00006 0.00001 0.00003 0.00000 44 4XZ 0.00013 0.00053 0.00001 0.00015 0.00000 45 4YZ 0.00035 0.00005 0.00023 0.00018 -0.00002 46 4 C 1S 0.00002 0.00001 0.00005 0.00001 0.00000 47 2S -0.00040 -0.00009 -0.00095 -0.00046 0.00000 48 2PX -0.00011 -0.00004 0.00000 0.00006 0.00000 49 2PY -0.00123 -0.00020 -0.00108 -0.00158 0.00000 50 2PZ 0.00017 -0.00019 0.00178 -0.00044 0.00000 51 3S -0.00142 -0.00184 -0.00547 0.00200 -0.00002 52 3PX -0.00033 0.00051 -0.00014 0.00022 0.00000 53 3PY -0.00425 -0.00083 -0.00385 -0.00215 -0.00003 54 3PZ 0.00049 -0.00062 0.00275 -0.00015 -0.00003 55 4XX 0.00001 0.00001 -0.00005 0.00000 0.00000 56 4YY 0.00002 0.00003 0.00004 -0.00010 0.00000 57 4ZZ -0.00002 -0.00004 0.00006 0.00006 0.00000 58 4XY 0.00001 0.00002 0.00000 0.00001 0.00000 59 4XZ 0.00000 -0.00002 0.00000 -0.00001 0.00000 60 4YZ 0.00005 0.00002 0.00002 0.00007 0.00000 61 5 C 1S 0.00007 0.00000 0.00011 0.00000 0.00000 62 2S -0.00089 0.00000 -0.00067 0.00000 0.00000 63 2PX 0.00000 -0.00148 0.00000 0.00000 0.00000 64 2PY -0.00117 0.00000 0.00120 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 -0.00097 0.00000 66 3S -0.00468 0.00000 -0.00138 0.00000 0.00001 67 3PX 0.00000 -0.00748 0.00000 0.00000 0.00000 68 3PY -0.00138 0.00000 0.00481 0.00000 -0.00001 69 3PZ 0.00000 0.00000 0.00000 -0.00447 0.00000 70 4XX 0.00001 0.00000 -0.00001 0.00000 0.00000 71 4YY 0.00002 0.00000 -0.00005 0.00000 0.00000 72 4ZZ 0.00001 0.00000 0.00001 0.00000 0.00000 73 4XY 0.00000 -0.00002 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 -0.00003 0.00000 76 6 C 1S 0.00004 0.00004 0.00006 0.00003 0.00000 77 2S -0.00122 -0.00090 -0.00155 -0.00048 0.00000 78 2PX -0.00102 -0.00004 -0.00010 -0.00104 -0.00001 79 2PY -0.00147 -0.00124 0.00064 -0.00151 -0.00001 80 2PZ -0.00108 -0.00095 -0.00066 -0.00021 0.00001 81 3S -0.00157 0.00466 -0.00670 -0.00143 -0.00002 82 3PX -0.00090 -0.00292 0.00027 -0.00242 -0.00013 83 3PY -0.00347 0.00394 -0.00164 -0.00328 -0.00004 84 3PZ -0.00043 -0.00051 -0.00011 -0.00241 0.00017 85 4XX 0.00000 0.00010 0.00004 -0.00007 0.00000 86 4YY 0.00009 -0.00006 0.00012 0.00006 0.00000 87 4ZZ 0.00005 -0.00002 0.00000 0.00005 0.00000 88 4XY 0.00014 0.00001 0.00014 0.00012 0.00000 89 4XZ 0.00000 0.00000 0.00001 0.00000 0.00000 90 4YZ 0.00009 0.00018 0.00006 0.00002 0.00000 91 7 H 1S -0.00410 -0.00228 -0.00011 -0.00102 0.00002 92 2S -0.01509 -0.01064 -0.00027 -0.00394 0.00015 93 8 H 1S 0.04240 0.00025 0.04297 0.00017 -0.00103 94 2S 0.02340 -0.00063 0.04178 -0.00011 -0.00176 95 9 H 1S -0.00231 -0.00206 0.00009 0.00032 0.00003 96 2S -0.01153 -0.01242 -0.00013 0.00542 0.00057 97 10 H 1S 0.00004 0.00005 -0.00005 0.00002 0.00000 98 2S 0.00041 0.00089 -0.00025 -0.00010 0.00000 99 11 H 1S 0.00000 0.00000 -0.00003 0.00000 0.00000 100 2S 0.00020 0.00003 -0.00016 0.00001 0.00000 101 12 H 1S 0.00011 0.00012 0.00006 0.00007 0.00000 102 2S 0.00169 0.00167 0.00108 0.00063 0.00000 103 13 C 1S 0.00004 0.00004 -0.00002 -0.00005 0.00000 104 2S 0.00014 -0.00038 0.00039 0.00064 0.00003 105 2PX 0.00061 0.00776 0.00085 0.00475 0.00009 106 2PY 0.00007 0.00087 -0.00007 0.00059 0.00003 107 2PZ 0.00128 0.00549 0.00059 0.00007 0.00004 108 3S 0.00126 0.00244 0.00172 0.00107 0.00037 109 3PX 0.00341 0.01261 0.00220 0.01182 0.00046 110 3PY 0.00015 0.00214 -0.00001 0.00151 0.00013 111 3PZ 0.00207 0.01154 0.00088 -0.00216 0.00026 112 4XX 0.00056 0.00070 0.00021 0.00048 -0.00001 113 4YY -0.00011 -0.00015 -0.00003 -0.00009 0.00000 114 4ZZ -0.00023 -0.00026 -0.00012 -0.00012 0.00000 115 4XY -0.00001 0.00006 0.00004 0.00003 0.00000 116 4XZ 0.00006 0.00018 0.00002 0.00001 0.00000 117 4YZ 0.00000 0.00007 0.00001 0.00000 0.00000 118 14 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 119 2S 0.00004 0.00008 0.00001 -0.00002 0.00000 120 2PX -0.00039 -0.00078 -0.00007 -0.00008 0.00000 121 2PY -0.00002 0.00002 0.00001 0.00000 0.00000 122 2PZ -0.00005 -0.00006 -0.00001 0.00011 0.00000 123 3S 0.00004 0.00079 0.00005 -0.00007 -0.00001 124 3PX -0.00341 -0.00509 -0.00042 -0.00053 0.00003 125 3PY -0.00013 0.00011 0.00010 -0.00002 0.00000 126 3PZ -0.00044 -0.00047 -0.00005 0.00119 0.00000 127 4XX -0.00002 0.00010 0.00000 0.00001 0.00000 128 4YY 0.00002 -0.00003 0.00000 0.00000 0.00000 129 4ZZ 0.00000 -0.00005 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00001 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00002 0.00001 0.00001 -0.00001 0.00000 136 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00009 0.00016 0.00004 -0.00002 0.00000 139 3PX 0.00002 -0.00008 -0.00005 -0.00002 0.00000 140 3PY -0.00005 -0.00006 0.00000 0.00000 0.00000 141 3PZ 0.00002 0.00004 0.00002 0.00010 0.00000 142 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 149 2S -0.00008 -0.00017 -0.00005 -0.00007 0.00000 150 2PX 0.00018 -0.00033 0.00062 0.00000 0.00000 151 2PY -0.00011 -0.00054 -0.00002 -0.00031 0.00000 152 2PZ 0.00003 -0.00033 0.00023 0.00000 0.00000 153 3S -0.00008 -0.00065 -0.00001 0.00038 0.00004 154 3PX 0.00010 -0.00161 0.00159 -0.00078 0.00010 155 3PY -0.00080 0.00022 -0.00060 -0.00008 -0.00008 156 3PZ 0.00043 -0.00177 0.00093 -0.00006 0.00007 157 4XX 0.00001 -0.00002 0.00002 -0.00001 0.00000 158 4YY 0.00001 0.00000 0.00001 0.00000 0.00000 159 4ZZ -0.00001 0.00001 -0.00002 0.00000 0.00000 160 4XY 0.00001 0.00007 0.00002 0.00004 0.00000 161 4XZ 0.00000 -0.00002 0.00001 0.00000 0.00000 162 4YZ 0.00001 0.00005 0.00001 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00003 -0.00003 -0.00002 0.00000 0.00000 165 18 H 1S 0.00001 0.00001 0.00001 0.00000 0.00000 166 2S 0.00037 0.00025 0.00025 -0.00019 0.00000 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 169 2PX 0.00000 0.00001 -0.00001 0.00000 0.00000 170 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S -0.00007 -0.00005 -0.00008 -0.00001 0.00000 173 3PX -0.00007 0.00013 -0.00022 0.00000 0.00000 174 3PY -0.00007 0.00009 -0.00003 0.00000 0.00000 175 3PZ -0.00001 0.00000 -0.00002 0.00002 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S -0.00001 0.00000 -0.00011 0.00024 0.00000 183 2S 0.00004 0.00006 -0.00014 0.00192 0.00001 184 21 H 1S -0.00122 -0.00012 0.00015 -0.00578 0.00000 185 2S -0.00380 -0.00091 0.00030 -0.01806 -0.00007 186 22 H 1S -0.00059 -0.00157 0.00000 -0.00084 0.00000 187 2S -0.00383 -0.00490 -0.00003 -0.00395 0.00006 188 23 H 1S 0.00000 0.00004 -0.00001 0.00002 0.00000 189 2S 0.00009 0.00051 -0.00013 0.00041 0.00000 26 27 28 29 30 26 4YY 0.00186 27 4ZZ -0.00024 0.00145 28 4XY 0.00000 0.00000 0.00042 29 4XZ 0.00000 0.00000 0.00000 0.00069 30 4YZ 0.00000 0.00000 0.00000 0.00000 0.00065 31 3 C 1S 0.00001 -0.00008 0.00000 -0.00002 -0.00004 32 2S -0.00028 0.00173 0.00008 0.00027 0.00071 33 2PX -0.00004 0.00057 0.00002 0.00055 0.00018 34 2PY -0.00005 0.00113 0.00000 0.00016 0.00007 35 2PZ -0.00047 -0.00015 0.00023 0.00036 0.00127 36 3S -0.00147 0.00324 0.00007 0.00015 0.00038 37 3PX -0.00007 0.00038 0.00002 0.00045 0.00004 38 3PY -0.00035 0.00081 0.00000 0.00003 0.00015 39 3PZ -0.00095 0.00011 0.00007 0.00003 0.00018 40 4XX -0.00001 0.00000 0.00000 0.00000 -0.00003 41 4YY 0.00002 -0.00008 0.00000 -0.00001 0.00000 42 4ZZ -0.00006 0.00007 0.00000 -0.00001 -0.00002 43 4XY 0.00000 0.00001 0.00000 0.00002 0.00000 44 4XZ -0.00001 -0.00007 0.00001 -0.00005 0.00001 45 4YZ 0.00000 -0.00007 0.00000 0.00000 0.00000 46 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 47 2S 0.00001 0.00000 0.00000 0.00000 0.00001 48 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 49 2PY 0.00005 -0.00001 0.00000 0.00000 0.00005 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 3S 0.00026 -0.00011 0.00001 0.00000 0.00006 52 3PX 0.00001 0.00000 0.00000 -0.00001 0.00000 53 3PY 0.00058 -0.00029 0.00001 -0.00001 0.00017 54 3PZ 0.00000 0.00001 0.00000 0.00000 0.00001 55 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 56 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 57 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00000 0.00000 0.00000 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 3S 0.00002 0.00001 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 -0.00002 0.00000 0.00000 68 3PY -0.00005 0.00001 0.00000 0.00000 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00003 0.00000 0.00001 0.00000 0.00001 78 2PX 0.00001 0.00001 0.00000 0.00000 0.00001 79 2PY 0.00014 -0.00001 0.00006 -0.00001 0.00004 80 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 81 3S 0.00046 -0.00017 0.00008 -0.00002 0.00005 82 3PX 0.00005 0.00010 0.00000 -0.00001 0.00005 83 3PY 0.00070 -0.00027 0.00010 -0.00001 0.00006 84 3PZ -0.00004 -0.00007 0.00004 0.00001 0.00000 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S -0.00001 0.00006 0.00000 0.00005 0.00000 92 2S -0.00035 0.00070 -0.00002 0.00009 -0.00002 93 8 H 1S 0.00754 -0.00119 0.00009 0.00001 0.00008 94 2S 0.00684 -0.00308 0.00002 0.00000 0.00001 95 9 H 1S 0.00000 0.00001 0.00000 0.00008 0.00000 96 2S -0.00014 -0.00023 -0.00001 0.00030 -0.00002 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S -0.00001 0.00001 0.00000 0.00000 0.00000 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 0.00000 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S -0.00002 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00002 0.00000 105 2PX -0.00001 0.00000 0.00003 0.00009 0.00001 106 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 107 2PZ 0.00000 0.00000 0.00001 0.00001 0.00000 108 3S -0.00017 -0.00001 0.00003 0.00009 0.00000 109 3PX -0.00022 0.00002 0.00005 0.00022 0.00004 110 3PY 0.00000 -0.00004 0.00000 0.00006 0.00000 111 3PZ -0.00007 -0.00001 0.00005 0.00001 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00002 -0.00002 0.00000 0.00001 0.00000 154 3PX -0.00002 -0.00004 0.00002 0.00001 0.00000 155 3PY 0.00003 0.00001 0.00000 -0.00001 0.00000 156 3PZ -0.00001 -0.00002 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 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 -0.00002 0.00000 0.00000 0.00000 -0.00001 184 21 H 1S 0.00000 0.00014 0.00000 0.00002 0.00000 185 2S -0.00012 0.00070 0.00000 0.00008 -0.00003 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00002 0.00003 0.00000 0.00002 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 2.05092 32 2S -0.01170 0.30682 33 2PX 0.00000 0.00000 0.41187 34 2PY 0.00000 0.00000 0.00000 0.38124 35 2PZ 0.00000 0.00000 0.00000 0.00000 0.38896 36 3S -0.03425 0.22724 0.00000 0.00000 0.00000 37 3PX 0.00000 0.00000 0.10595 0.00000 0.00000 38 3PY 0.00000 0.00000 0.00000 0.09886 0.00000 39 3PZ 0.00000 0.00000 0.00000 0.00000 0.10249 40 4XX -0.00141 0.00014 0.00000 0.00000 0.00000 41 4YY -0.00123 -0.00365 0.00000 0.00000 0.00000 42 4ZZ -0.00129 -0.00249 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 -0.00013 0.00000 -0.00105 0.00000 47 2S -0.00013 0.00349 0.00000 0.02291 0.00000 48 2PX 0.00000 0.00000 -0.00004 0.00000 0.00000 49 2PY -0.00105 0.02291 0.00000 0.07729 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00042 51 3S 0.00028 0.00260 0.00000 0.02763 0.00000 52 3PX 0.00000 0.00000 -0.00093 0.00000 0.00000 53 3PY -0.00147 0.02051 0.00000 0.03407 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00123 55 4XX 0.00000 -0.00023 0.00000 -0.00056 0.00000 56 4YY -0.00011 0.00250 0.00000 0.00251 0.00000 57 4ZZ 0.00000 -0.00022 0.00000 -0.00064 0.00000 58 4XY 0.00000 0.00000 0.00114 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 0.00104 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 -0.00002 0.00000 -0.00011 -0.00004 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00000 -0.00008 -0.00001 -0.00027 -0.00004 65 2PZ 0.00000 -0.00005 0.00000 -0.00017 -0.00006 66 3S 0.00002 -0.00040 -0.00011 -0.00123 0.00017 67 3PX 0.00001 -0.00009 -0.00004 -0.00020 -0.00019 68 3PY 0.00005 -0.00095 0.00000 -0.00108 0.00178 69 3PZ 0.00001 -0.00046 0.00005 -0.00158 -0.00044 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00001 0.00000 0.00005 0.00000 72 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00001 0.00000 0.00005 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 78 2PX 0.00000 0.00000 0.00000 -0.00002 0.00001 79 2PY 0.00000 0.00000 0.00000 0.00001 -0.00002 80 2PZ 0.00000 -0.00001 -0.00001 0.00000 -0.00002 81 3S 0.00001 -0.00036 -0.00014 -0.00023 -0.00137 82 3PX 0.00000 0.00006 0.00004 -0.00038 -0.00006 83 3PY 0.00001 -0.00018 -0.00033 0.00008 -0.00076 84 3PZ 0.00001 -0.00042 -0.00003 0.00010 -0.00117 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00008 0.00009 0.00001 0.00033 93 8 H 1S 0.00000 -0.00013 -0.00001 -0.00028 -0.00025 94 2S 0.00016 -0.00247 -0.00020 -0.00446 -0.00431 95 9 H 1S -0.00170 0.02784 0.07932 0.01254 0.00674 96 2S -0.00043 0.00951 0.05033 0.00744 0.00404 97 10 H 1S 0.00000 -0.00011 -0.00012 -0.00032 0.00000 98 2S 0.00009 -0.00166 -0.00196 -0.00463 -0.00003 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00006 0.00000 0.00029 0.00004 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 -0.00001 0.00000 -0.00001 105 2PX 0.00000 -0.00001 -0.00001 0.00000 -0.00003 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 -0.00002 -0.00002 0.00000 -0.00004 108 3S 0.00001 -0.00003 -0.00003 -0.00001 0.00044 109 3PX 0.00002 -0.00065 -0.00038 0.00000 -0.00139 110 3PY 0.00000 -0.00002 -0.00001 -0.00002 -0.00005 111 3PZ 0.00004 -0.00040 -0.00034 0.00000 -0.00007 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 -0.00001 -0.00010 0.00000 -0.00004 124 3PX 0.00000 -0.00005 -0.00014 -0.00001 -0.00005 125 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 126 3PZ 0.00000 -0.00002 -0.00010 -0.00001 0.00002 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 -0.00002 -0.00006 0.00000 0.00000 139 3PX 0.00000 0.00002 0.00014 0.00002 0.00001 140 3PY 0.00000 0.00000 0.00003 0.00000 0.00000 141 3PZ 0.00000 -0.00001 -0.00013 0.00001 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 -0.00017 0.00000 -0.00002 -0.00038 154 3PX 0.00001 -0.00011 0.00007 -0.00012 -0.00016 155 3PY 0.00000 -0.00002 -0.00009 0.00002 -0.00014 156 3PZ 0.00001 -0.00033 0.00003 -0.00001 -0.00046 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 -0.00002 0.00018 -0.00001 0.00000 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00001 0.00000 0.00000 0.00001 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 -0.00013 -0.00008 -0.00033 -0.00008 183 2S 0.00013 -0.00208 -0.00121 -0.00487 -0.00081 184 21 H 1S -0.00166 0.02734 0.04268 0.00965 0.04455 185 2S -0.00064 0.00994 0.02851 0.00580 0.02893 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00002 0.00001 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 36 37 38 39 40 36 3S 0.30210 37 3PX 0.00000 0.08585 38 3PY 0.00000 0.00000 0.08588 39 3PZ 0.00000 0.00000 0.00000 0.09074 40 4XX -0.00022 0.00000 0.00000 0.00000 0.00113 41 4YY -0.00323 0.00000 0.00000 0.00000 -0.00011 42 4ZZ -0.00010 0.00000 0.00000 0.00000 -0.00006 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 0.00028 0.00000 -0.00147 0.00000 0.00000 47 2S 0.00260 0.00000 0.02051 0.00000 -0.00023 48 2PX 0.00000 -0.00093 0.00000 0.00000 0.00000 49 2PY 0.02762 0.00000 0.03407 0.00000 -0.00056 50 2PZ 0.00000 0.00000 0.00000 -0.00123 0.00000 51 3S -0.01566 0.00000 0.01958 0.00000 -0.00079 52 3PX 0.00000 -0.00257 0.00000 0.00000 0.00000 53 3PY 0.01958 0.00000 0.01442 0.00000 -0.00111 54 3PZ 0.00000 0.00000 0.00000 -0.00415 0.00000 55 4XX -0.00079 0.00000 -0.00111 0.00000 0.00000 56 4YY 0.00369 0.00000 0.00189 0.00000 -0.00001 57 4ZZ -0.00124 0.00000 -0.00167 0.00000 0.00000 58 4XY 0.00000 0.00074 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 0.00072 0.00000 61 5 C 1S 0.00000 0.00000 0.00009 0.00000 0.00000 62 2S -0.00058 -0.00008 -0.00203 -0.00047 0.00000 63 2PX -0.00039 0.00020 -0.00020 -0.00018 0.00000 64 2PY -0.00336 -0.00018 -0.00450 -0.00024 0.00000 65 2PZ 0.00006 0.00002 -0.00131 -0.00028 0.00000 66 3S -0.00142 -0.00033 -0.00425 0.00049 0.00001 67 3PX -0.00184 0.00051 -0.00083 -0.00062 0.00001 68 3PY -0.00547 -0.00015 -0.00385 0.00275 -0.00005 69 3PZ 0.00200 0.00022 -0.00215 -0.00015 0.00000 70 4XX -0.00002 0.00000 -0.00003 -0.00003 0.00000 71 4YY 0.00026 0.00001 0.00058 0.00000 0.00000 72 4ZZ -0.00011 0.00000 -0.00029 0.00001 0.00000 73 4XY 0.00001 0.00000 0.00001 0.00000 0.00000 74 4XZ 0.00000 -0.00001 -0.00001 0.00000 0.00000 75 4YZ 0.00006 0.00000 0.00017 0.00001 0.00000 76 6 C 1S 0.00002 0.00000 0.00001 0.00002 0.00000 77 2S -0.00039 -0.00005 -0.00022 -0.00032 0.00000 78 2PX -0.00025 0.00000 -0.00053 0.00017 0.00000 79 2PY -0.00036 -0.00003 0.00010 -0.00075 0.00000 80 2PZ -0.00016 -0.00005 0.00006 -0.00016 0.00000 81 3S -0.00468 -0.00064 -0.00149 -0.00522 0.00004 82 3PX -0.00148 0.00000 -0.00158 -0.00028 0.00001 83 3PY -0.00260 -0.00082 0.00001 -0.00249 0.00003 84 3PZ -0.00055 0.00000 0.00079 -0.00211 0.00004 85 4XX -0.00002 -0.00001 -0.00003 0.00001 0.00000 86 4YY 0.00003 0.00000 0.00004 -0.00002 0.00000 87 4ZZ 0.00003 0.00001 -0.00002 0.00003 0.00000 88 4XY 0.00000 0.00000 0.00000 -0.00003 0.00000 89 4XZ -0.00001 0.00000 -0.00002 0.00000 0.00000 90 4YZ -0.00004 -0.00001 0.00001 -0.00001 0.00000 91 7 H 1S 0.00008 0.00002 0.00001 0.00020 0.00000 92 2S 0.00142 0.00048 0.00015 0.00283 -0.00001 93 8 H 1S -0.00400 -0.00014 -0.00097 -0.00282 0.00000 94 2S -0.01623 -0.00051 -0.00527 -0.00972 -0.00003 95 9 H 1S 0.03034 0.05114 0.00787 0.00549 0.00438 96 2S -0.00477 0.04890 0.00646 0.00408 0.00431 97 10 H 1S -0.00122 -0.00112 -0.00278 -0.00020 0.00000 98 2S -0.00090 -0.00408 -0.00870 -0.00031 -0.00005 99 11 H 1S 0.00007 0.00000 0.00023 0.00000 0.00000 100 2S 0.00130 0.00003 0.00301 0.00018 0.00000 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S -0.00001 -0.00005 -0.00001 -0.00008 0.00000 103 13 C 1S 0.00000 0.00002 0.00000 0.00002 0.00000 104 2S -0.00015 -0.00016 0.00000 -0.00035 0.00000 105 2PX -0.00017 -0.00018 0.00001 -0.00008 0.00000 106 2PY 0.00000 -0.00001 0.00003 0.00000 0.00000 107 2PZ -0.00002 0.00018 0.00002 -0.00037 0.00000 108 3S 0.00071 -0.00008 0.00000 0.00096 0.00000 109 3PX -0.00064 -0.00045 0.00004 -0.00201 -0.00002 110 3PY -0.00007 -0.00004 -0.00002 -0.00009 0.00000 111 3PZ 0.00099 -0.00007 0.00005 0.00026 -0.00006 112 4XX 0.00004 0.00004 0.00000 -0.00011 0.00000 113 4YY -0.00002 -0.00001 0.00000 0.00000 0.00000 114 4ZZ 0.00001 -0.00003 0.00000 0.00015 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00002 0.00000 0.00000 0.00002 0.00000 117 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S -0.00009 -0.00007 -0.00001 0.00001 0.00000 120 2PX -0.00006 -0.00019 -0.00004 0.00028 0.00000 121 2PY 0.00002 0.00004 -0.00002 -0.00002 0.00000 122 2PZ -0.00006 -0.00031 -0.00004 0.00019 0.00000 123 3S -0.00078 -0.00100 -0.00007 -0.00014 0.00000 124 3PX -0.00049 -0.00116 -0.00027 0.00167 0.00001 125 3PY 0.00015 0.00019 -0.00015 -0.00013 0.00000 126 3PZ -0.00046 -0.00169 -0.00024 0.00090 0.00000 127 4XX -0.00001 -0.00001 -0.00001 0.00002 0.00000 128 4YY 0.00001 0.00002 0.00000 -0.00001 0.00000 129 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00001 0.00002 0.00000 0.00001 0.00000 132 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S -0.00001 -0.00004 0.00000 0.00000 0.00000 135 2PX -0.00002 -0.00005 0.00000 -0.00001 0.00000 136 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 137 2PZ -0.00003 -0.00006 0.00001 0.00000 0.00000 138 3S -0.00008 -0.00026 0.00001 -0.00001 0.00000 139 3PX 0.00016 0.00044 0.00013 0.00005 0.00000 140 3PY 0.00001 -0.00001 -0.00001 0.00002 0.00000 141 3PZ -0.00013 -0.00058 0.00006 -0.00007 0.00000 142 4XX 0.00001 0.00000 0.00000 0.00001 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S -0.00007 0.00001 0.00001 -0.00004 0.00000 150 2PX -0.00023 0.00009 -0.00007 -0.00029 0.00000 151 2PY -0.00005 -0.00002 0.00001 0.00000 0.00000 152 2PZ -0.00031 0.00010 -0.00016 -0.00029 0.00000 153 3S -0.00190 0.00017 -0.00011 -0.00170 0.00001 154 3PX -0.00155 0.00026 -0.00060 -0.00095 0.00001 155 3PY -0.00028 -0.00044 0.00001 -0.00014 0.00000 156 3PZ -0.00263 0.00062 -0.00038 -0.00169 0.00002 157 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 159 4ZZ 0.00002 0.00000 0.00000 0.00002 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00002 0.00001 0.00001 0.00002 0.00000 165 18 H 1S -0.00008 -0.00006 0.00000 0.00000 0.00000 166 2S -0.00056 0.00109 -0.00010 0.00006 0.00001 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00002 -0.00001 -0.00002 0.00000 0.00000 170 2PY 0.00000 -0.00002 0.00000 0.00001 0.00000 171 2PZ 0.00001 0.00002 -0.00001 0.00000 0.00000 172 3S 0.00006 -0.00005 -0.00001 0.00012 0.00000 173 3PX 0.00035 -0.00009 -0.00017 0.00008 0.00000 174 3PY -0.00004 -0.00024 -0.00002 0.00010 0.00000 175 3PZ 0.00015 0.00012 -0.00007 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S -0.00222 -0.00056 -0.00202 -0.00076 0.00000 183 2S -0.00793 -0.00243 -0.00760 -0.00160 0.00013 184 21 H 1S 0.03402 0.02647 0.00709 0.02917 0.00062 185 2S 0.01332 0.02783 0.00655 0.02843 0.00050 186 22 H 1S -0.00001 -0.00002 0.00000 0.00002 0.00000 187 2S -0.00002 -0.00010 0.00003 0.00049 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00014 -0.00002 0.00008 0.00006 0.00000 41 42 43 44 45 41 4YY 0.00121 42 4ZZ -0.00011 0.00105 43 4XY 0.00000 0.00000 0.00096 44 4XZ 0.00000 0.00000 0.00000 0.00130 45 4YZ 0.00000 0.00000 0.00000 0.00000 0.00091 46 4 C 1S -0.00011 0.00000 0.00000 0.00000 0.00000 47 2S 0.00250 -0.00022 0.00000 0.00000 0.00000 48 2PX 0.00000 0.00000 0.00114 0.00000 0.00000 49 2PY 0.00251 -0.00064 0.00000 0.00000 0.00000 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.00104 51 3S 0.00369 -0.00124 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.00074 0.00000 0.00000 53 3PY 0.00189 -0.00167 0.00000 0.00000 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.00072 55 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 56 4YY -0.00002 -0.00001 0.00000 0.00000 0.00000 57 4ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 -0.00016 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 -0.00012 61 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 62 2S 0.00000 0.00000 0.00000 0.00000 0.00001 63 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 64 2PY 0.00001 -0.00001 0.00000 0.00000 0.00003 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.00002 66 3S 0.00002 -0.00002 0.00001 0.00000 0.00005 67 3PX 0.00003 -0.00004 0.00002 -0.00002 0.00002 68 3PY 0.00004 0.00006 0.00000 0.00000 0.00002 69 3PZ -0.00010 0.00006 0.00001 -0.00001 0.00007 70 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 72 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 3S 0.00001 -0.00005 -0.00001 0.00000 0.00001 82 3PX 0.00001 -0.00002 0.00000 0.00001 0.00000 83 3PY 0.00003 -0.00009 0.00001 0.00001 0.00001 84 3PZ -0.00005 0.00001 -0.00001 -0.00002 0.00003 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 93 8 H 1S 0.00004 -0.00001 0.00000 0.00000 0.00004 94 2S 0.00065 -0.00038 0.00001 -0.00001 0.00010 95 9 H 1S -0.00079 -0.00093 0.00195 0.00105 0.00021 96 2S -0.00101 -0.00230 0.00042 0.00029 0.00003 97 10 H 1S 0.00002 0.00000 0.00005 0.00000 0.00000 98 2S -0.00016 0.00020 0.00028 -0.00001 0.00002 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00000 0.00000 0.00000 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 108 3S -0.00002 0.00004 0.00000 0.00002 0.00000 109 3PX -0.00004 0.00017 0.00000 0.00009 0.00000 110 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 111 3PZ -0.00006 0.00016 0.00000 0.00014 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 0.00000 0.00000 0.00001 0.00001 154 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 155 3PY 0.00001 -0.00001 0.00000 0.00000 0.00000 156 3PZ -0.00001 0.00000 0.00000 0.00001 0.00001 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00003 0.00000 0.00003 0.00000 0.00003 183 2S -0.00003 0.00003 0.00017 -0.00003 0.00015 184 21 H 1S -0.00087 0.00098 0.00087 0.00338 0.00098 185 2S -0.00155 0.00172 0.00021 0.00078 0.00021 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 4 C 1S 2.05092 47 2S -0.01170 0.30682 48 2PX 0.00000 0.00000 0.41187 49 2PY 0.00000 0.00000 0.00000 0.38124 50 2PZ 0.00000 0.00000 0.00000 0.00000 0.38896 51 3S -0.03425 0.22724 0.00000 0.00000 0.00000 52 3PX 0.00000 0.00000 0.10595 0.00000 0.00000 53 3PY 0.00000 0.00000 0.00000 0.09886 0.00000 54 3PZ 0.00000 0.00000 0.00000 0.00000 0.10248 55 4XX -0.00141 0.00014 0.00000 0.00000 0.00000 56 4YY -0.00123 -0.00365 0.00000 0.00000 0.00000 57 4ZZ -0.00129 -0.00249 0.00000 0.00000 0.00000 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00000 -0.00020 -0.00009 -0.00019 -0.00117 62 2S -0.00019 0.00510 0.00177 0.00371 0.02397 63 2PX -0.00012 0.00225 0.00002 0.00070 0.00791 64 2PY -0.00024 0.00423 0.00094 -0.00061 0.01389 65 2PZ -0.00095 0.01884 0.00649 0.01256 0.04482 66 3S -0.00008 0.00439 0.00233 0.00318 0.02221 67 3PX -0.00013 0.00144 0.00002 0.00032 0.00380 68 3PY -0.00030 0.00327 0.00013 -0.00170 0.00268 69 3PZ -0.00056 0.01093 0.00152 0.00723 0.01200 70 4XX 0.00000 -0.00025 0.00003 -0.00003 -0.00056 71 4YY 0.00001 -0.00028 -0.00004 -0.00005 -0.00047 72 4ZZ -0.00008 0.00173 0.00057 0.00113 -0.00015 73 4XY 0.00000 0.00008 0.00002 0.00000 0.00023 74 4XZ -0.00002 0.00027 0.00055 0.00016 0.00037 75 4YZ -0.00004 0.00071 0.00018 0.00007 0.00127 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 -0.00004 -0.00007 0.00000 -0.00017 78 2PX 0.00000 -0.00005 0.00000 0.00000 -0.00033 79 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PZ 0.00000 -0.00015 -0.00022 0.00000 -0.00022 81 3S 0.00002 -0.00042 -0.00082 -0.00002 -0.00011 82 3PX 0.00001 0.00002 0.00015 -0.00002 -0.00079 83 3PY 0.00000 -0.00003 -0.00008 0.00019 -0.00014 84 3PZ 0.00012 -0.00177 -0.00219 0.00001 0.00070 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00001 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00001 0.00002 0.00000 0.00006 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00001 0.00001 0.00000 0.00005 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00006 0.00000 0.00029 0.00004 95 9 H 1S 0.00000 -0.00011 -0.00012 -0.00032 0.00000 96 2S 0.00009 -0.00166 -0.00195 -0.00464 -0.00003 97 10 H 1S -0.00170 0.02784 0.07935 0.01254 0.00671 98 2S -0.00043 0.00951 0.05034 0.00744 0.00403 99 11 H 1S 0.00000 -0.00013 -0.00001 -0.00028 -0.00025 100 2S 0.00016 -0.00247 -0.00020 -0.00446 -0.00431 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00008 0.00009 0.00001 0.00033 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 -0.00017 0.00000 -0.00002 -0.00038 109 3PX 0.00001 -0.00011 0.00007 -0.00012 -0.00016 110 3PY 0.00000 -0.00002 -0.00009 0.00002 -0.00014 111 3PZ 0.00001 -0.00033 0.00003 -0.00001 -0.00046 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00001 0.00000 0.00000 0.00001 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 -0.00002 -0.00006 0.00000 0.00000 139 3PX 0.00000 0.00002 0.00014 0.00002 0.00001 140 3PY 0.00000 0.00000 0.00003 0.00000 0.00000 141 3PZ 0.00000 -0.00001 -0.00013 0.00001 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 -0.00001 0.00000 -0.00001 150 2PX 0.00000 -0.00001 -0.00001 0.00000 -0.00003 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 -0.00002 -0.00002 0.00000 -0.00004 153 3S 0.00001 -0.00003 -0.00003 -0.00001 0.00044 154 3PX 0.00002 -0.00065 -0.00038 0.00000 -0.00139 155 3PY 0.00000 -0.00002 -0.00001 -0.00002 -0.00005 156 3PZ 0.00004 -0.00040 -0.00034 0.00000 -0.00007 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 -0.00002 0.00018 -0.00001 0.00000 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 -0.00001 -0.00010 0.00000 -0.00004 173 3PX 0.00000 -0.00005 -0.00014 -0.00001 -0.00005 174 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 175 3PZ 0.00000 -0.00002 -0.00010 -0.00001 0.00002 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S -0.00166 0.02734 0.04264 0.00967 0.04457 183 2S -0.00064 0.00994 0.02849 0.00581 0.02894 184 21 H 1S 0.00000 -0.00013 -0.00008 -0.00033 -0.00008 185 2S 0.00013 -0.00208 -0.00121 -0.00487 -0.00081 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 0.00002 0.00001 0.00000 0.00004 51 52 53 54 55 51 3S 0.30211 52 3PX 0.00000 0.08586 53 3PY 0.00000 0.00000 0.08588 54 3PZ 0.00000 0.00000 0.00000 0.09073 55 4XX -0.00022 0.00000 0.00000 0.00000 0.00114 56 4YY -0.00323 0.00000 0.00000 0.00000 -0.00011 57 4ZZ -0.00010 0.00000 0.00000 0.00000 -0.00006 58 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 59 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 5 C 1S 0.00013 -0.00008 -0.00024 -0.00127 0.00000 62 2S 0.00692 0.00180 0.00226 0.01980 -0.00030 63 2PX 0.00564 -0.00001 0.00058 0.00425 0.00003 64 2PY 0.00981 0.00069 0.00034 0.00821 -0.00007 65 2PZ 0.01743 0.00365 0.00759 0.01549 -0.00038 66 3S 0.00013 0.00180 0.00225 0.01207 -0.00096 67 3PX 0.00758 -0.00075 0.00009 0.00263 -0.00026 68 3PY 0.00649 -0.00003 -0.00189 0.00065 0.00001 69 3PZ -0.00033 0.00123 0.00562 0.00190 0.00004 70 4XX -0.00076 -0.00020 -0.00013 -0.00046 0.00002 71 4YY -0.00147 -0.00007 -0.00035 -0.00095 -0.00001 72 4ZZ 0.00324 0.00038 0.00081 0.00011 0.00000 73 4XY 0.00007 0.00002 0.00000 0.00007 0.00000 74 4XZ 0.00015 0.00045 0.00003 0.00003 0.00000 75 4YZ 0.00037 0.00004 0.00015 0.00018 -0.00003 76 6 C 1S 0.00004 0.00004 0.00000 0.00012 0.00000 77 2S -0.00076 -0.00064 0.00004 -0.00216 0.00000 78 2PX 0.00005 0.00002 0.00002 -0.00313 0.00000 79 2PY 0.00002 -0.00002 0.00013 0.00004 0.00000 80 2PZ -0.00378 -0.00115 0.00009 -0.00217 0.00002 81 3S 0.00248 -0.00096 0.00009 0.00150 0.00006 82 3PX 0.00384 0.00004 -0.00003 -0.00198 -0.00008 83 3PY -0.00019 -0.00014 0.00105 -0.00016 0.00001 84 3PZ -0.00950 -0.00300 0.00013 0.00127 0.00026 85 4XX 0.00010 0.00000 0.00000 0.00004 0.00000 86 4YY -0.00012 -0.00003 0.00000 -0.00015 0.00000 87 4ZZ 0.00019 0.00015 -0.00001 0.00050 0.00000 88 4XY 0.00000 0.00000 -0.00003 -0.00001 0.00000 89 4XZ 0.00008 0.00001 0.00000 0.00018 0.00000 90 4YZ -0.00001 0.00000 -0.00001 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S -0.00001 -0.00005 -0.00001 -0.00008 0.00000 93 8 H 1S 0.00007 0.00000 0.00023 0.00000 0.00000 94 2S 0.00130 0.00003 0.00301 0.00018 0.00000 95 9 H 1S -0.00122 -0.00112 -0.00278 -0.00020 0.00000 96 2S -0.00090 -0.00407 -0.00870 -0.00031 -0.00005 97 10 H 1S 0.03034 0.05116 0.00787 0.00548 0.00438 98 2S -0.00478 0.04891 0.00646 0.00407 0.00431 99 11 H 1S -0.00400 -0.00014 -0.00097 -0.00282 0.00000 100 2S -0.01623 -0.00051 -0.00527 -0.00972 -0.00003 101 12 H 1S 0.00008 0.00002 0.00001 0.00020 0.00000 102 2S 0.00142 0.00048 0.00015 0.00283 -0.00001 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S -0.00007 0.00001 0.00001 -0.00004 0.00000 105 2PX -0.00023 0.00009 -0.00007 -0.00029 0.00000 106 2PY -0.00005 -0.00002 0.00001 0.00000 0.00000 107 2PZ -0.00031 0.00010 -0.00016 -0.00029 0.00000 108 3S -0.00190 0.00017 -0.00011 -0.00170 0.00001 109 3PX -0.00154 0.00026 -0.00060 -0.00095 0.00001 110 3PY -0.00028 -0.00044 0.00001 -0.00014 0.00000 111 3PZ -0.00263 0.00062 -0.00038 -0.00168 0.00002 112 4XX -0.00001 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 -0.00001 0.00000 114 4ZZ 0.00002 0.00000 0.00000 0.00002 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ -0.00001 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00002 -0.00001 -0.00002 0.00000 0.00000 121 2PY 0.00000 -0.00002 0.00000 0.00001 0.00000 122 2PZ 0.00001 0.00002 -0.00001 0.00000 0.00000 123 3S 0.00006 -0.00005 -0.00001 0.00012 0.00000 124 3PX 0.00035 -0.00009 -0.00017 0.00008 0.00000 125 3PY -0.00004 -0.00024 -0.00002 0.00010 0.00000 126 3PZ 0.00015 0.00012 -0.00007 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S -0.00001 -0.00004 0.00000 0.00000 0.00000 135 2PX -0.00002 -0.00005 0.00000 -0.00001 0.00000 136 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 137 2PZ -0.00003 -0.00007 0.00001 0.00000 0.00000 138 3S -0.00008 -0.00026 0.00001 -0.00001 0.00000 139 3PX 0.00016 0.00044 0.00013 0.00005 0.00000 140 3PY 0.00001 -0.00001 -0.00001 0.00002 0.00000 141 3PZ -0.00013 -0.00058 0.00006 -0.00007 0.00000 142 4XX 0.00001 0.00000 0.00000 0.00001 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00002 0.00000 0.00002 0.00000 149 2S -0.00015 -0.00016 0.00000 -0.00035 0.00000 150 2PX -0.00017 -0.00018 0.00001 -0.00008 0.00000 151 2PY 0.00000 -0.00001 0.00003 0.00000 0.00000 152 2PZ -0.00002 0.00018 0.00002 -0.00037 0.00000 153 3S 0.00071 -0.00008 0.00000 0.00096 0.00000 154 3PX -0.00064 -0.00045 0.00004 -0.00201 -0.00002 155 3PY -0.00007 -0.00004 -0.00002 -0.00009 0.00000 156 3PZ 0.00100 -0.00007 0.00005 0.00026 -0.00006 157 4XX 0.00004 0.00004 0.00000 -0.00011 0.00000 158 4YY -0.00002 -0.00001 0.00000 0.00000 0.00000 159 4ZZ 0.00001 -0.00003 0.00000 0.00015 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00002 0.00000 0.00000 0.00002 0.00000 162 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00002 0.00001 0.00001 0.00002 0.00000 165 18 H 1S -0.00008 -0.00006 0.00000 0.00000 0.00000 166 2S -0.00056 0.00109 -0.00010 0.00006 0.00001 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S -0.00009 -0.00007 -0.00001 0.00001 0.00000 169 2PX -0.00006 -0.00019 -0.00004 0.00028 0.00000 170 2PY 0.00002 0.00004 -0.00002 -0.00002 0.00000 171 2PZ -0.00006 -0.00031 -0.00004 0.00019 0.00000 172 3S -0.00078 -0.00100 -0.00007 -0.00014 0.00000 173 3PX -0.00049 -0.00116 -0.00026 0.00167 0.00001 174 3PY 0.00015 0.00019 -0.00015 -0.00013 0.00000 175 3PZ -0.00046 -0.00169 -0.00024 0.00090 0.00000 176 4XX -0.00001 -0.00001 -0.00001 0.00002 0.00000 177 4YY 0.00001 0.00002 0.00000 -0.00001 0.00000 178 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00001 0.00002 0.00000 0.00001 0.00000 181 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 182 20 H 1S 0.03402 0.02645 0.00710 0.02918 0.00062 183 2S 0.01332 0.02781 0.00656 0.02845 0.00050 184 21 H 1S -0.00222 -0.00056 -0.00202 -0.00076 0.00000 185 2S -0.00793 -0.00243 -0.00760 -0.00160 0.00013 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00014 -0.00002 0.00008 0.00006 0.00000 188 23 H 1S -0.00001 -0.00002 0.00000 0.00002 0.00000 189 2S -0.00002 -0.00010 0.00003 0.00049 0.00000 56 57 58 59 60 56 4YY 0.00121 57 4ZZ -0.00011 0.00105 58 4XY 0.00000 0.00000 0.00096 59 4XZ 0.00000 0.00000 0.00000 0.00130 60 4YZ 0.00000 0.00000 0.00000 0.00000 0.00091 61 5 C 1S 0.00000 -0.00007 0.00000 -0.00002 -0.00005 62 2S -0.00018 0.00165 0.00007 0.00039 0.00082 63 2PX -0.00003 0.00057 0.00004 0.00047 0.00023 64 2PY -0.00006 0.00108 0.00000 0.00020 0.00005 65 2PZ -0.00029 0.00023 0.00021 0.00058 0.00129 66 3S -0.00038 0.00238 0.00004 0.00013 0.00035 67 3PX -0.00014 0.00065 0.00005 0.00053 0.00005 68 3PY -0.00034 0.00048 0.00001 0.00001 0.00023 69 3PZ -0.00005 -0.00049 0.00003 0.00015 0.00018 70 4XX 0.00000 -0.00005 0.00000 0.00000 -0.00002 71 4YY 0.00002 -0.00006 0.00000 -0.00001 0.00000 72 4ZZ -0.00008 0.00007 0.00001 -0.00007 -0.00007 73 4XY 0.00000 0.00000 0.00000 0.00001 0.00000 74 4XZ -0.00001 -0.00001 0.00002 -0.00005 0.00000 75 4YZ 0.00000 -0.00002 0.00000 0.00001 0.00000 76 6 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 77 2S 0.00000 0.00000 0.00000 0.00001 0.00000 78 2PX 0.00000 0.00004 0.00000 -0.00001 0.00000 79 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PZ 0.00000 -0.00001 0.00000 0.00008 0.00000 81 3S -0.00007 0.00005 0.00000 0.00006 0.00000 82 3PX -0.00007 0.00033 0.00000 -0.00006 0.00000 83 3PY 0.00000 -0.00001 -0.00002 0.00001 -0.00005 84 3PZ -0.00002 -0.00022 0.00000 0.00029 0.00000 85 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 0.00000 0.00000 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00000 0.00000 -0.00001 95 9 H 1S 0.00002 0.00000 0.00005 0.00000 0.00000 96 2S -0.00016 0.00020 0.00028 -0.00001 0.00002 97 10 H 1S -0.00079 -0.00093 0.00195 0.00104 0.00021 98 2S -0.00101 -0.00230 0.00042 0.00029 0.00003 99 11 H 1S 0.00004 -0.00001 0.00000 0.00000 0.00004 100 2S 0.00065 -0.00038 0.00001 -0.00001 0.00010 101 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 102 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 0.00000 0.00000 0.00001 0.00001 109 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 110 3PY 0.00001 -0.00001 0.00000 0.00000 0.00000 111 3PZ -0.00001 0.00000 0.00000 0.00001 0.00001 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 153 3S -0.00002 0.00004 0.00000 0.00002 0.00000 154 3PX -0.00004 0.00017 0.00000 0.00009 0.00000 155 3PY 0.00000 0.00000 0.00000 0.00000 -0.00001 156 3PZ -0.00006 0.00016 0.00000 0.00014 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S -0.00087 0.00099 0.00087 0.00338 0.00098 183 2S -0.00155 0.00172 0.00021 0.00078 0.00021 184 21 H 1S 0.00003 0.00000 0.00003 0.00000 0.00003 185 2S -0.00003 0.00003 0.00017 -0.00003 0.00015 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 -0.00001 0.00000 0.00000 0.00000 61 62 63 64 65 61 5 C 1S 2.05499 62 2S -0.01344 0.32633 63 2PX 0.00000 0.00000 0.35439 64 2PY 0.00000 0.00000 0.00000 0.41151 65 2PZ 0.00000 0.00000 0.00000 0.00000 0.38399 66 3S -0.03645 0.23612 0.00000 0.00000 0.00000 67 3PX 0.00000 0.00000 0.11188 0.00000 0.00000 68 3PY 0.00000 0.00000 0.00000 0.07408 0.00000 69 3PZ 0.00000 0.00000 0.00000 0.00000 0.09697 70 4XX -0.00090 -0.00921 0.00000 0.00000 0.00000 71 4YY -0.00145 0.00112 0.00000 0.00000 0.00000 72 4ZZ -0.00111 -0.00519 0.00000 0.00000 0.00000 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S 0.00000 -0.00054 -0.00132 -0.00067 -0.00092 77 2S -0.00058 0.01134 0.02021 0.00937 0.01358 78 2PX -0.00143 0.02093 -0.00057 0.01826 0.03416 79 2PY -0.00062 0.00936 0.01792 -0.00036 0.00933 80 2PZ -0.00090 0.01262 0.03914 0.00746 0.00059 81 3S 0.00070 0.00574 0.00749 0.01238 0.00721 82 3PX -0.00061 0.01223 0.00367 0.00805 0.01436 83 3PY -0.00036 0.00249 0.01210 0.00131 0.00369 84 3PZ 0.00035 0.00196 0.01594 0.00065 0.00349 85 4XX -0.00003 0.00050 -0.00076 0.00066 0.00099 86 4YY 0.00001 -0.00046 -0.00034 -0.00027 -0.00033 87 4ZZ 0.00000 0.00001 0.00041 0.00025 -0.00055 88 4XY -0.00008 0.00083 0.00020 -0.00002 0.00121 89 4XZ -0.00009 0.00096 0.00031 0.00105 -0.00005 90 4YZ -0.00007 0.00068 0.00124 -0.00001 0.00005 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00013 0.00023 0.00019 0.00011 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00002 0.00000 0.00006 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00009 0.00011 0.00015 0.00006 97 10 H 1S 0.00000 -0.00015 -0.00026 0.00000 -0.00029 98 2S 0.00020 -0.00288 -0.00585 -0.00011 -0.00246 99 11 H 1S -0.00196 0.03098 0.00105 0.09692 0.00070 100 2S -0.00121 0.01237 0.00024 0.06456 0.00049 101 12 H 1S 0.00000 -0.00020 -0.00035 0.00000 -0.00037 102 2S 0.00026 -0.00342 -0.00577 0.00001 -0.00550 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 -0.00001 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 -0.00020 -0.00015 -0.00051 0.00013 109 3PX 0.00001 -0.00046 -0.00029 -0.00024 -0.00025 110 3PY -0.00001 0.00003 -0.00009 -0.00035 0.00017 111 3PZ 0.00000 -0.00022 -0.00033 -0.00015 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00002 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00001 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 -0.00008 0.00013 0.00001 0.00005 150 2PX 0.00000 0.00003 0.00204 0.00028 0.00071 151 2PY 0.00000 -0.00002 0.00020 -0.00001 0.00004 152 2PZ 0.00000 0.00007 0.00111 0.00010 0.00022 153 3S 0.00016 -0.00065 0.00234 0.00090 -0.00066 154 3PX 0.00003 -0.00040 0.00812 0.00149 0.00512 155 3PY 0.00000 -0.00033 0.00105 0.00026 0.00060 156 3PZ 0.00004 0.00025 0.00632 0.00056 0.00003 157 4XX 0.00000 0.00003 0.00012 0.00002 0.00006 158 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 159 4ZZ 0.00000 0.00000 -0.00003 0.00000 -0.00001 160 4XY 0.00000 0.00001 0.00002 0.00000 0.00001 161 4XZ 0.00000 0.00002 0.00007 0.00001 0.00001 162 4YZ 0.00000 0.00001 0.00001 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00003 0.00000 -0.00001 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 -0.00009 0.00000 0.00001 173 3PX 0.00000 -0.00011 -0.00099 -0.00002 -0.00003 174 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 175 3PZ 0.00000 -0.00001 -0.00009 0.00000 0.00005 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 -0.00019 0.00001 -0.00001 -0.00045 183 2S 0.00018 -0.00332 -0.00013 -0.00012 -0.00666 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00006 0.00001 0.00010 0.00023 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00002 0.00003 0.00003 0.00003 188 23 H 1S 0.00000 -0.00002 -0.00005 0.00000 -0.00004 189 2S 0.00003 -0.00065 -0.00108 0.00000 -0.00122 66 67 68 69 70 66 3S 0.30060 67 3PX 0.00000 0.12487 68 3PY 0.00000 0.00000 0.05321 69 3PZ 0.00000 0.00000 0.00000 0.09658 70 4XX -0.00711 0.00000 0.00000 0.00000 0.00149 71 4YY 0.00243 0.00000 0.00000 0.00000 -0.00017 72 4ZZ -0.00427 0.00000 0.00000 0.00000 0.00002 73 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 74 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 6 C 1S -0.00055 -0.00102 -0.00059 -0.00032 -0.00004 77 2S 0.01143 0.01276 0.00676 0.00386 0.00057 78 2PX 0.02145 0.00242 0.00702 0.01528 -0.00099 79 2PY 0.00591 0.00817 -0.00073 0.00376 0.00080 80 2PZ 0.01306 0.02060 0.00274 0.00259 0.00133 81 3S -0.01474 -0.00312 0.00541 0.00232 0.00123 82 3PX 0.01146 0.01823 0.00359 0.01266 -0.00161 83 3PY 0.00031 0.01058 0.00090 -0.00004 0.00080 84 3PZ 0.00070 0.01516 -0.00047 0.01140 0.00174 85 4XX 0.00113 -0.00122 0.00038 0.00142 -0.00002 86 4YY -0.00076 0.00008 -0.00056 -0.00054 -0.00003 87 4ZZ -0.00044 0.00087 -0.00013 -0.00080 0.00002 88 4XY 0.00045 0.00000 0.00002 0.00025 0.00000 89 4XZ 0.00026 -0.00001 0.00009 0.00002 0.00000 90 4YZ 0.00036 0.00030 0.00001 0.00004 -0.00007 91 7 H 1S 0.00011 0.00012 0.00006 0.00007 0.00000 92 2S 0.00169 0.00167 0.00108 0.00063 0.00000 93 8 H 1S 0.00000 0.00000 -0.00003 0.00000 0.00000 94 2S 0.00020 0.00003 -0.00016 0.00001 0.00000 95 9 H 1S 0.00004 0.00005 -0.00005 0.00002 0.00000 96 2S 0.00041 0.00088 -0.00025 -0.00009 0.00000 97 10 H 1S -0.00231 -0.00206 0.00009 0.00032 0.00003 98 2S -0.01153 -0.01243 -0.00013 0.00542 0.00057 99 11 H 1S 0.04240 0.00025 0.04296 0.00017 -0.00103 100 2S 0.02340 -0.00063 0.04178 -0.00010 -0.00176 101 12 H 1S -0.00410 -0.00228 -0.00011 -0.00102 0.00002 102 2S -0.01509 -0.01064 -0.00027 -0.00393 0.00015 103 13 C 1S 0.00000 0.00001 0.00000 0.00000 0.00000 104 2S -0.00008 -0.00017 -0.00005 -0.00007 0.00000 105 2PX 0.00018 -0.00033 0.00062 0.00000 0.00000 106 2PY -0.00011 -0.00054 -0.00002 -0.00031 0.00000 107 2PZ 0.00003 -0.00033 0.00023 0.00000 0.00000 108 3S -0.00008 -0.00065 -0.00001 0.00038 0.00004 109 3PX 0.00010 -0.00161 0.00159 -0.00078 0.00010 110 3PY -0.00080 0.00022 -0.00060 -0.00008 -0.00008 111 3PZ 0.00043 -0.00177 0.00093 -0.00006 0.00007 112 4XX 0.00001 -0.00002 0.00002 -0.00001 0.00000 113 4YY 0.00001 0.00000 0.00001 0.00000 0.00000 114 4ZZ -0.00001 0.00001 -0.00002 0.00000 0.00000 115 4XY 0.00001 0.00007 0.00002 0.00004 0.00000 116 4XZ 0.00000 -0.00002 0.00001 0.00000 0.00000 117 4YZ 0.00001 0.00005 0.00001 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 120 2PX 0.00000 0.00001 -0.00001 0.00000 0.00000 121 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S -0.00007 -0.00005 -0.00008 -0.00001 0.00000 124 3PX -0.00007 0.00013 -0.00022 0.00000 0.00000 125 3PY -0.00007 0.00009 -0.00003 0.00000 0.00000 126 3PZ -0.00001 0.00000 -0.00002 0.00002 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00001 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00002 0.00001 0.00001 -0.00001 0.00000 136 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00009 0.00016 0.00004 -0.00002 0.00000 139 3PX 0.00002 -0.00008 -0.00005 -0.00002 0.00000 140 3PY -0.00005 -0.00006 0.00000 0.00000 0.00000 141 3PZ 0.00002 0.00004 0.00002 0.00010 0.00000 142 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00004 0.00004 -0.00002 -0.00005 0.00000 149 2S 0.00014 -0.00038 0.00039 0.00064 0.00003 150 2PX 0.00061 0.00776 0.00085 0.00475 0.00009 151 2PY 0.00007 0.00087 -0.00007 0.00059 0.00003 152 2PZ 0.00128 0.00549 0.00059 0.00007 0.00004 153 3S 0.00126 0.00244 0.00172 0.00107 0.00037 154 3PX 0.00341 0.01261 0.00220 0.01182 0.00046 155 3PY 0.00015 0.00214 -0.00001 0.00151 0.00013 156 3PZ 0.00207 0.01154 0.00088 -0.00216 0.00026 157 4XX 0.00056 0.00070 0.00021 0.00048 -0.00001 158 4YY -0.00011 -0.00015 -0.00003 -0.00009 0.00000 159 4ZZ -0.00023 -0.00026 -0.00012 -0.00012 0.00000 160 4XY -0.00001 0.00006 0.00004 0.00003 0.00000 161 4XZ 0.00006 0.00018 0.00002 0.00001 0.00000 162 4YZ 0.00000 0.00007 0.00001 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00003 -0.00003 -0.00002 0.00000 0.00000 165 18 H 1S 0.00001 0.00001 0.00001 0.00000 0.00000 166 2S 0.00037 0.00025 0.00025 -0.00019 0.00000 167 19 O 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 168 2S 0.00004 0.00008 0.00001 -0.00002 0.00000 169 2PX -0.00039 -0.00078 -0.00007 -0.00008 0.00000 170 2PY -0.00002 0.00002 0.00001 0.00000 0.00000 171 2PZ -0.00005 -0.00006 -0.00001 0.00011 0.00000 172 3S 0.00004 0.00079 0.00005 -0.00007 -0.00001 173 3PX -0.00341 -0.00509 -0.00042 -0.00053 0.00003 174 3PY -0.00013 0.00011 0.00010 -0.00002 0.00000 175 3PZ -0.00044 -0.00047 -0.00005 0.00119 0.00000 176 4XX -0.00002 0.00010 0.00000 0.00001 0.00000 177 4YY 0.00002 -0.00003 0.00000 0.00000 0.00000 178 4ZZ 0.00000 -0.00005 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00001 -0.00001 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S -0.00122 -0.00012 0.00015 -0.00578 0.00000 183 2S -0.00380 -0.00091 0.00030 -0.01806 -0.00007 184 21 H 1S -0.00001 0.00000 -0.00011 0.00024 0.00000 185 2S 0.00004 0.00006 -0.00014 0.00192 0.00001 186 22 H 1S 0.00000 0.00004 -0.00001 0.00002 0.00000 187 2S 0.00009 0.00051 -0.00013 0.00041 0.00000 188 23 H 1S -0.00059 -0.00157 0.00000 -0.00084 0.00000 189 2S -0.00382 -0.00490 -0.00003 -0.00395 0.00006 71 72 73 74 75 71 4YY 0.00186 72 4ZZ -0.00024 0.00145 73 4XY 0.00000 0.00000 0.00042 74 4XZ 0.00000 0.00000 0.00000 0.00069 75 4YZ 0.00000 0.00000 0.00000 0.00000 0.00065 76 6 C 1S 0.00002 0.00000 -0.00008 -0.00011 -0.00006 77 2S -0.00045 -0.00019 0.00083 0.00116 0.00065 78 2PX -0.00024 0.00034 0.00030 0.00034 0.00116 79 2PY -0.00025 0.00013 -0.00003 0.00095 -0.00001 80 2PZ -0.00019 -0.00071 0.00116 0.00003 0.00009 81 3S -0.00158 0.00062 0.00021 0.00039 0.00020 82 3PX -0.00022 0.00152 0.00001 -0.00002 0.00018 83 3PY -0.00043 -0.00031 0.00000 0.00016 -0.00002 84 3PZ -0.00022 -0.00113 0.00013 0.00002 0.00003 85 4XX -0.00004 0.00005 -0.00003 -0.00001 0.00000 86 4YY 0.00004 -0.00005 0.00000 -0.00005 0.00000 87 4ZZ -0.00006 0.00002 -0.00005 0.00001 -0.00002 88 4XY 0.00000 -0.00010 0.00001 -0.00001 0.00000 89 4XZ -0.00010 0.00001 0.00000 0.00003 0.00000 90 4YZ 0.00000 -0.00002 0.00001 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S -0.00002 0.00000 0.00000 0.00000 0.00000 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00000 0.00000 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S -0.00001 0.00001 0.00000 0.00000 0.00000 97 10 H 1S 0.00000 0.00001 0.00000 0.00008 0.00000 98 2S -0.00014 -0.00023 -0.00001 0.00030 -0.00002 99 11 H 1S 0.00754 -0.00119 0.00009 0.00001 0.00008 100 2S 0.00684 -0.00308 0.00002 0.00000 0.00001 101 12 H 1S -0.00001 0.00006 0.00000 0.00005 0.00000 102 2S -0.00035 0.00070 -0.00002 0.00009 -0.00002 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00002 -0.00002 0.00000 0.00001 0.00000 109 3PX -0.00002 -0.00004 0.00002 0.00001 0.00000 110 3PY 0.00003 0.00001 0.00000 -0.00001 0.00000 111 3PZ -0.00001 -0.00002 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00002 0.00000 150 2PX -0.00001 0.00000 0.00003 0.00009 0.00001 151 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 152 2PZ 0.00000 0.00000 0.00001 0.00001 0.00000 153 3S -0.00017 -0.00001 0.00003 0.00009 0.00000 154 3PX -0.00022 0.00002 0.00005 0.00022 0.00004 155 3PY 0.00000 -0.00004 0.00000 0.00006 0.00000 156 3PZ -0.00007 -0.00001 0.00005 0.00001 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00014 0.00000 0.00002 0.00000 183 2S -0.00012 0.00070 0.00000 0.00008 -0.00003 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S -0.00002 0.00000 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 -0.00002 0.00003 0.00000 0.00002 0.00000 76 77 78 79 80 76 6 C 1S 2.05271 77 2S -0.01361 0.32496 78 2PX 0.00000 0.00000 0.36897 79 2PY 0.00000 0.00000 0.00000 0.41335 80 2PZ 0.00000 0.00000 0.00000 0.00000 0.39022 81 3S -0.02960 0.20116 0.00000 0.00000 0.00000 82 3PX 0.00000 0.00000 0.10335 0.00000 0.00000 83 3PY 0.00000 0.00000 0.00000 0.07886 0.00000 84 3PZ 0.00000 0.00000 0.00000 0.00000 0.09568 85 4XX -0.00113 -0.00672 0.00000 0.00000 0.00000 86 4YY -0.00134 -0.00219 0.00000 0.00000 0.00000 87 4ZZ -0.00127 -0.00380 0.00000 0.00000 0.00000 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S 0.00000 -0.00017 -0.00007 -0.00057 -0.00007 92 2S 0.00019 -0.00265 -0.00091 -0.00840 -0.00152 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S 0.00000 0.00013 0.00003 0.00051 0.00001 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00001 0.00001 -0.00001 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00015 -0.00001 0.00002 0.00041 99 11 H 1S 0.00000 -0.00019 -0.00019 -0.00047 -0.00007 100 2S 0.00019 -0.00267 -0.00255 -0.00651 -0.00039 101 12 H 1S -0.00198 0.03084 0.02437 0.02405 0.04947 102 2S -0.00120 0.01190 0.01602 0.01555 0.03424 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 -0.00003 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 -0.00005 -0.00055 -0.00007 -0.00003 109 3PX 0.00000 -0.00017 -0.00188 -0.00021 -0.00012 110 3PY 0.00000 -0.00002 0.00051 0.00001 0.00004 111 3PZ 0.00000 0.00000 -0.00014 -0.00002 0.00020 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 150 2PX 0.00000 -0.00002 -0.00008 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00001 -0.00022 -0.00141 0.00000 -0.00006 154 3PX 0.00004 -0.00065 -0.00046 0.00000 0.00001 155 3PY 0.00000 0.00000 -0.00001 -0.00001 0.00000 156 3PZ 0.00000 -0.00006 -0.00019 0.00000 -0.00011 157 4XX 0.00000 0.00000 0.00001 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00001 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 183 2S 0.00000 -0.00006 0.00013 0.00000 -0.00054 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00001 -0.00002 -0.00001 0.00010 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00011 0.00000 0.00003 188 23 H 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 189 2S 0.00000 -0.00003 -0.00048 0.00002 -0.00005 81 82 83 84 85 81 3S 0.25008 82 3PX 0.00000 0.11998 83 3PY 0.00000 0.00000 0.06236 84 3PZ 0.00000 0.00000 0.00000 0.09329 85 4XX -0.00354 0.00000 0.00000 0.00000 0.00092 86 4YY -0.00196 0.00000 0.00000 0.00000 -0.00008 87 4ZZ -0.00155 0.00000 0.00000 0.00000 0.00007 88 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 7 H 1S -0.00417 0.00012 -0.00334 0.00019 0.00000 92 2S -0.01699 0.00059 -0.01421 -0.00033 0.00011 93 8 H 1S 0.00015 0.00000 0.00033 0.00000 0.00000 94 2S 0.00219 0.00018 0.00392 -0.00004 0.00000 95 9 H 1S 0.00001 0.00001 0.00002 0.00000 0.00000 96 2S 0.00036 0.00036 0.00040 -0.00009 0.00000 97 10 H 1S 0.00005 -0.00005 0.00005 0.00015 0.00000 98 2S 0.00079 -0.00100 0.00047 0.00247 -0.00001 99 11 H 1S -0.00450 -0.00158 -0.00036 -0.00043 -0.00001 100 2S -0.01535 -0.00581 -0.00203 -0.00017 -0.00026 101 12 H 1S 0.04347 0.00828 0.01000 0.02191 -0.00039 102 2S 0.03825 0.00517 0.00739 0.02134 0.00026 103 13 C 1S 0.00000 0.00002 0.00000 0.00000 0.00000 104 2S 0.00003 -0.00038 -0.00004 -0.00003 0.00000 105 2PX -0.00037 -0.00238 -0.00037 -0.00012 0.00000 106 2PY 0.00000 0.00019 -0.00001 0.00002 0.00000 107 2PZ -0.00002 -0.00018 -0.00002 0.00015 0.00000 108 3S -0.00076 -0.00413 -0.00081 -0.00023 0.00000 109 3PX -0.00191 -0.00956 -0.00165 -0.00061 0.00000 110 3PY -0.00002 0.00282 0.00000 0.00017 0.00000 111 3PZ -0.00021 -0.00096 -0.00014 0.00122 0.00000 112 4XX -0.00001 -0.00001 -0.00001 0.00000 0.00000 113 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 114 4ZZ 0.00001 0.00003 0.00000 0.00000 0.00000 115 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 116 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00002 0.00006 0.00001 0.00000 0.00000 124 3PX 0.00004 0.00032 0.00005 -0.00003 0.00000 125 3PY 0.00001 0.00002 0.00000 0.00001 0.00000 126 3PZ 0.00000 -0.00004 0.00000 -0.00001 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S -0.00001 -0.00004 0.00000 0.00000 0.00000 139 3PX 0.00000 -0.00003 0.00000 0.00001 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 -0.00005 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00001 0.00006 0.00000 0.00000 0.00000 149 2S -0.00029 -0.00143 0.00000 -0.00004 0.00000 150 2PX 0.00030 -0.00169 0.00000 -0.00016 0.00001 151 2PY 0.00000 -0.00001 -0.00003 0.00000 0.00000 152 2PZ -0.00001 -0.00008 0.00000 0.00001 0.00000 153 3S -0.00022 -0.00786 0.00001 -0.00039 0.00005 154 3PX 0.00035 -0.00257 0.00001 -0.00020 0.00034 155 3PY 0.00000 -0.00002 -0.00005 0.00000 0.00000 156 3PZ 0.00006 -0.00044 0.00000 0.00051 0.00003 157 4XX -0.00004 0.00027 0.00000 0.00003 0.00000 158 4YY 0.00001 -0.00003 0.00000 0.00000 0.00000 159 4ZZ 0.00001 -0.00001 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 -0.00002 0.00000 0.00000 161 4XZ 0.00000 0.00002 0.00000 -0.00001 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00001 0.00000 0.00000 0.00000 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S -0.00001 -0.00005 0.00000 0.00001 0.00000 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00024 0.00001 -0.00003 0.00000 173 3PX 0.00008 0.00030 0.00004 0.00002 0.00000 174 3PY -0.00002 -0.00003 0.00001 0.00000 0.00000 175 3PZ -0.00003 -0.00005 0.00000 0.00003 0.00000 176 4XX 0.00000 -0.00001 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S -0.00011 0.00013 -0.00002 -0.00096 0.00000 183 2S -0.00081 0.00059 -0.00011 -0.00405 0.00002 184 21 H 1S 0.00004 0.00000 -0.00002 0.00010 0.00000 185 2S 0.00052 -0.00015 -0.00030 0.00142 0.00000 186 22 H 1S 0.00002 0.00006 0.00002 0.00000 0.00000 187 2S 0.00017 0.00120 0.00023 0.00028 0.00000 188 23 H 1S -0.00008 -0.00081 0.00003 -0.00026 0.00000 189 2S -0.00017 -0.00194 0.00021 -0.00063 -0.00004 86 87 88 89 90 86 4YY 0.00114 87 4ZZ -0.00006 0.00089 88 4XY 0.00000 0.00000 0.00095 89 4XZ 0.00000 0.00000 0.00000 0.00067 90 4YZ 0.00000 0.00000 0.00000 0.00000 0.00117 91 7 H 1S 0.00002 0.00000 0.00003 0.00000 0.00005 92 2S -0.00017 0.00014 0.00012 0.00000 0.00026 93 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 94 2S -0.00001 -0.00001 -0.00001 0.00000 0.00000 95 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2S 0.00000 0.00000 0.00000 0.00000 0.00000 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 -0.00001 0.00000 0.00000 0.00000 99 11 H 1S 0.00009 -0.00001 0.00004 -0.00001 0.00002 100 2S 0.00097 -0.00025 0.00009 -0.00008 0.00008 101 12 H 1S -0.00082 0.00160 0.00114 0.00172 0.00226 102 2S -0.00135 0.00254 0.00027 0.00030 0.00052 103 13 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 104 2S 0.00000 0.00000 0.00000 0.00000 0.00000 105 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 0.00000 -0.00001 0.00000 0.00000 109 3PX -0.00001 0.00000 0.00001 0.00000 0.00000 110 3PY 0.00001 0.00000 0.00000 0.00000 0.00000 111 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00000 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00000 0.00000 124 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 0.00000 0.00000 139 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 140 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 141 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00000 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S -0.00002 0.00000 0.00000 0.00000 0.00000 154 3PX -0.00007 -0.00009 0.00000 0.00000 0.00000 155 3PY 0.00000 0.00000 0.00002 0.00000 0.00000 156 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00000 0.00000 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 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 0.00000 -0.00004 0.00000 -0.00001 -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 0.00002 -0.00001 0.00000 0.00000 91 92 93 94 95 91 7 H 1S 0.21693 92 2S 0.11783 0.17164 93 8 H 1S -0.00001 -0.00104 0.21714 94 2S -0.00105 -0.00589 0.11577 0.16496 95 9 H 1S 0.00000 0.00000 -0.00001 -0.00027 0.21593 96 2S 0.00000 -0.00019 -0.00039 -0.00001 0.11187 97 10 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00003 98 2S 0.00000 0.00002 0.00000 -0.00015 -0.00165 99 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 100 2S 0.00000 -0.00014 0.00000 0.00000 0.00000 101 12 H 1S -0.00001 -0.00093 0.00000 0.00000 0.00000 102 2S -0.00093 -0.00553 0.00000 -0.00014 0.00000 103 13 C 1S 0.00000 0.00000 0.00000 0.00001 0.00000 104 2S 0.00000 0.00000 0.00000 -0.00009 0.00000 105 2PX 0.00000 0.00009 -0.00001 -0.00061 0.00000 106 2PY 0.00000 0.00001 -0.00001 -0.00045 0.00000 107 2PZ 0.00000 -0.00001 0.00000 -0.00017 -0.00001 108 3S 0.00001 0.00027 -0.00055 -0.00323 -0.00007 109 3PX 0.00001 0.00048 -0.00060 -0.00284 -0.00022 110 3PY 0.00000 0.00001 0.00020 0.00072 -0.00006 111 3PZ -0.00002 -0.00021 -0.00018 -0.00110 -0.00067 112 4XX 0.00000 0.00000 0.00000 -0.00002 0.00000 113 4YY 0.00000 0.00000 0.00000 0.00005 0.00000 114 4ZZ 0.00000 0.00000 0.00000 -0.00001 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00001 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 119 2S 0.00000 0.00000 0.00000 0.00002 0.00000 120 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 121 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 122 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 123 3S 0.00000 0.00000 0.00000 0.00026 -0.00014 124 3PX 0.00000 -0.00001 0.00000 0.00011 0.00000 125 3PY 0.00000 0.00000 0.00000 0.00012 0.00000 126 3PZ 0.00000 0.00000 0.00000 0.00001 -0.00002 127 4XX 0.00000 0.00000 0.00000 -0.00001 0.00000 128 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 0.00000 0.00000 135 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 136 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 137 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 3S 0.00000 0.00000 0.00000 -0.00001 -0.00011 139 3PX 0.00000 0.00000 0.00000 -0.00001 0.00017 140 3PY 0.00000 0.00000 0.00000 -0.00001 0.00009 141 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00022 142 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 143 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 0.00001 0.00000 150 2PX 0.00000 -0.00001 0.00000 0.00001 0.00000 151 2PY 0.00000 0.00000 0.00000 0.00004 0.00000 152 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 -0.00007 0.00001 0.00040 0.00000 154 3PX 0.00000 -0.00003 -0.00001 0.00008 0.00002 155 3PY 0.00000 -0.00001 0.00003 0.00046 -0.00004 156 3PZ 0.00000 0.00004 0.00000 0.00007 0.00001 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00001 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00001 0.00030 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 0.00000 0.00000 0.00000 0.00000 173 3PX 0.00000 0.00000 0.00000 -0.00001 0.00000 174 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 175 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 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 0.00000 0.00000 0.00000 -0.00011 0.00038 184 21 H 1S 0.00000 0.00000 0.00000 -0.00015 -0.00052 185 2S 0.00000 -0.00005 -0.00017 -0.00034 -0.00817 186 22 H 1S 0.00000 0.00000 0.00000 -0.00011 0.00000 187 2S 0.00003 0.00027 -0.00011 -0.00016 0.00001 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 0.00002 0.00000 -0.00003 0.00000 96 97 98 99 100 96 2S 0.16628 97 10 H 1S -0.00165 0.21593 98 2S -0.00908 0.11187 0.16629 99 11 H 1S 0.00000 -0.00001 -0.00039 0.21714 100 2S -0.00015 -0.00027 -0.00001 0.11577 0.16496 101 12 H 1S 0.00000 0.00000 0.00000 -0.00001 -0.00105 102 2S 0.00002 0.00000 -0.00019 -0.00104 -0.00589 103 13 C 1S 0.00001 0.00000 0.00000 0.00000 0.00000 104 2S -0.00017 0.00000 0.00002 0.00000 0.00001 105 2PX -0.00012 0.00000 -0.00001 0.00000 0.00001 106 2PY -0.00003 0.00000 0.00004 0.00000 0.00004 107 2PZ -0.00126 0.00000 -0.00001 0.00000 0.00000 108 3S -0.00144 0.00000 0.00028 0.00001 0.00040 109 3PX -0.00105 0.00002 0.00011 -0.00001 0.00008 110 3PY -0.00020 -0.00004 0.00013 0.00003 0.00045 111 3PZ -0.00525 0.00001 0.00001 0.00000 0.00007 112 4XX -0.00007 0.00000 0.00000 0.00000 0.00000 113 4YY 0.00002 0.00000 0.00000 0.00000 0.00000 114 4ZZ 0.00011 0.00000 0.00000 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 118 14 O 1S -0.00001 0.00000 0.00000 0.00000 0.00000 119 2S 0.00014 0.00000 0.00001 0.00000 0.00000 120 2PX 0.00058 0.00000 -0.00001 0.00000 0.00000 121 2PY 0.00001 0.00000 0.00001 0.00000 0.00000 122 2PZ 0.00128 0.00000 -0.00001 0.00000 0.00000 123 3S 0.00092 0.00000 0.00016 0.00000 0.00000 124 3PX 0.00353 0.00000 -0.00013 0.00000 -0.00001 125 3PY 0.00007 0.00000 0.00017 0.00000 0.00000 126 3PZ 0.00671 0.00000 -0.00008 0.00000 0.00000 127 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 128 4YY -0.00008 0.00000 0.00000 0.00000 0.00000 129 4ZZ 0.00005 0.00000 0.00000 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00004 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00001 0.00000 0.00001 0.00000 0.00000 134 2S -0.00016 0.00000 -0.00016 0.00000 0.00000 135 2PX -0.00018 0.00000 -0.00018 0.00000 0.00000 136 2PY -0.00006 0.00000 -0.00006 0.00000 0.00000 137 2PZ -0.00001 0.00000 -0.00001 0.00000 0.00000 138 3S -0.00101 -0.00011 -0.00101 0.00000 -0.00001 139 3PX 0.00046 0.00017 0.00046 0.00000 -0.00001 140 3PY 0.00062 0.00009 0.00062 0.00000 -0.00001 141 3PZ 0.00006 -0.00022 0.00006 0.00000 0.00000 142 4XX 0.00004 0.00000 0.00004 0.00000 0.00000 143 4YY 0.00002 0.00000 0.00002 0.00000 0.00000 144 4ZZ -0.00005 0.00000 -0.00005 0.00000 0.00000 145 4XY 0.00002 0.00000 0.00002 0.00000 0.00000 146 4XZ 0.00001 0.00000 0.00001 0.00000 0.00000 147 4YZ 0.00002 0.00000 0.00002 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00001 0.00000 0.00001 149 2S 0.00002 0.00000 -0.00017 0.00000 -0.00009 150 2PX -0.00001 0.00000 -0.00012 -0.00001 -0.00061 151 2PY 0.00004 0.00000 -0.00003 -0.00001 -0.00045 152 2PZ -0.00001 -0.00001 -0.00126 0.00000 -0.00017 153 3S 0.00028 -0.00007 -0.00144 -0.00055 -0.00322 154 3PX 0.00011 -0.00022 -0.00106 -0.00060 -0.00284 155 3PY 0.00013 -0.00006 -0.00020 0.00020 0.00072 156 3PZ 0.00001 -0.00067 -0.00526 -0.00018 -0.00110 157 4XX 0.00000 0.00000 -0.00007 0.00000 -0.00002 158 4YY 0.00000 0.00000 0.00002 0.00000 0.00005 159 4ZZ 0.00000 0.00000 0.00011 0.00000 -0.00001 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ -0.00001 0.00000 0.00000 0.00000 0.00001 163 17 H 1S 0.00001 0.00000 0.00001 0.00000 0.00000 164 2S 0.00025 0.00001 0.00025 0.00000 0.00000 165 18 H 1S -0.00038 0.00000 -0.00038 0.00000 0.00000 166 2S -0.00172 0.00030 -0.00172 0.00000 0.00001 167 19 O 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 168 2S 0.00001 0.00000 0.00014 0.00000 0.00002 169 2PX -0.00001 0.00000 0.00058 0.00000 0.00000 170 2PY 0.00001 0.00000 0.00001 0.00000 0.00002 171 2PZ -0.00001 0.00000 0.00128 0.00000 0.00000 172 3S 0.00016 -0.00014 0.00092 0.00000 0.00026 173 3PX -0.00013 0.00000 0.00353 0.00000 0.00011 174 3PY 0.00017 0.00000 0.00007 0.00000 0.00012 175 3PZ -0.00008 -0.00002 0.00672 0.00000 0.00001 176 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 177 4YY 0.00000 0.00000 -0.00008 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00005 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00004 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 182 20 H 1S 0.00041 -0.00052 -0.00841 0.00000 -0.00015 183 2S 0.00361 -0.00818 -0.02546 -0.00017 -0.00034 184 21 H 1S -0.00841 0.00000 0.00041 0.00000 0.00000 185 2S -0.02546 0.00038 0.00361 0.00000 -0.00011 186 22 H 1S 0.00003 0.00000 0.00000 0.00000 0.00000 187 2S 0.00048 0.00000 -0.00005 0.00000 -0.00003 188 23 H 1S 0.00000 0.00000 0.00003 0.00000 -0.00011 189 2S -0.00005 0.00001 0.00048 -0.00011 -0.00016 101 102 103 104 105 101 12 H 1S 0.21693 102 2S 0.11783 0.17164 103 13 C 1S 0.00000 0.00000 2.05255 104 2S 0.00000 0.00000 -0.01388 0.33288 105 2PX 0.00000 -0.00001 0.00000 0.00000 0.34621 106 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 107 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 3S 0.00000 -0.00007 -0.03170 0.22133 0.00000 109 3PX 0.00000 -0.00003 0.00000 0.00000 0.09507 110 3PY 0.00000 -0.00001 0.00000 0.00000 0.00000 111 3PZ 0.00000 0.00004 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 -0.00093 -0.00929 0.00000 113 4YY 0.00000 0.00000 -0.00136 -0.00072 0.00000 114 4ZZ 0.00000 0.00000 -0.00124 -0.00291 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00000 0.00000 0.00000 -0.00006 -0.00048 119 2S 0.00000 0.00000 -0.00002 0.00104 0.00849 120 2PX 0.00000 0.00000 -0.00024 0.01219 0.01590 121 2PY 0.00000 0.00000 -0.00005 0.00218 0.00602 122 2PZ 0.00000 0.00000 -0.00011 0.00478 0.01887 123 3S 0.00000 0.00000 0.00061 -0.00735 0.01469 124 3PX 0.00000 0.00000 -0.00226 0.02342 0.01029 125 3PY 0.00000 0.00000 -0.00071 0.00625 0.00942 126 3PZ 0.00000 0.00000 -0.00096 0.00742 0.01889 127 4XX 0.00000 0.00000 -0.00009 0.00127 -0.00098 128 4YY 0.00000 0.00000 -0.00001 0.00012 0.00061 129 4ZZ 0.00000 0.00000 -0.00001 0.00009 0.00030 130 4XY 0.00000 0.00000 -0.00008 0.00088 0.00084 131 4XZ 0.00000 0.00000 -0.00015 0.00130 0.00070 132 4YZ 0.00000 0.00000 -0.00004 0.00036 0.00123 133 15 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 134 2S 0.00000 0.00000 0.00000 -0.00016 -0.00030 135 2PX 0.00000 0.00000 0.00000 -0.00038 -0.00036 136 2PY 0.00000 0.00000 0.00000 -0.00003 -0.00032 137 2PZ 0.00000 0.00000 0.00000 -0.00024 -0.00061 138 3S 0.00000 0.00000 0.00009 -0.00098 -0.00291 139 3PX 0.00000 0.00000 0.00018 -0.00203 -0.00095 140 3PY 0.00000 0.00000 0.00001 -0.00026 -0.00173 141 3PZ 0.00000 0.00000 0.00012 -0.00154 -0.00361 142 4XX 0.00000 0.00000 0.00000 0.00004 0.00011 143 4YY 0.00000 0.00000 0.00000 -0.00002 -0.00006 144 4ZZ 0.00000 0.00000 0.00000 0.00001 0.00007 145 4XY 0.00000 0.00000 0.00000 0.00002 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00001 0.00009 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00004 148 16 C 1S 0.00000 0.00000 0.00000 -0.00065 0.00000 149 2S 0.00000 0.00000 -0.00065 0.01384 0.00000 150 2PX 0.00000 0.00009 0.00000 0.00000 0.01640 151 2PY 0.00000 0.00001 -0.00286 0.04297 0.00000 152 2PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 153 3S 0.00001 0.00027 0.00011 0.00956 0.00000 154 3PX 0.00001 0.00048 0.00000 0.00000 0.02166 155 3PY 0.00000 0.00001 -0.00013 0.01037 0.00000 156 3PZ -0.00002 -0.00021 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 0.00000 -0.00061 0.00000 158 4YY 0.00000 0.00000 -0.00027 0.00367 0.00000 159 4ZZ 0.00000 0.00000 0.00000 -0.00064 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00205 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00017 0.00068 165 18 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 166 2S 0.00000 0.00000 0.00000 0.00009 -0.00002 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 -0.00003 -0.00003 169 2PX 0.00000 0.00000 0.00000 -0.00005 0.00010 170 2PY 0.00000 0.00000 0.00000 -0.00016 -0.00010 171 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00008 172 3S 0.00000 0.00000 -0.00001 -0.00015 -0.00043 173 3PX 0.00000 -0.00001 0.00004 -0.00104 0.00070 174 3PY 0.00000 0.00000 0.00011 -0.00329 -0.00122 175 3PZ 0.00000 0.00000 -0.00001 0.00015 -0.00130 176 4XX 0.00000 0.00000 0.00000 0.00000 -0.00001 177 4YY 0.00000 0.00000 0.00000 -0.00003 -0.00001 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 179 4XY 0.00000 0.00000 0.00000 0.00002 0.00002 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00000 0.00000 0.00000 0.00002 0.00002 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 -0.00005 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 0.00001 0.00005 186 22 H 1S 0.00000 0.00000 -0.00236 0.03822 0.00581 187 2S 0.00000 0.00002 -0.00192 0.02241 0.00246 188 23 H 1S 0.00000 0.00000 0.00000 -0.00020 -0.00001 189 2S 0.00003 0.00027 0.00024 -0.00382 -0.00027 106 107 108 109 110 106 2PY 0.43071 107 2PZ 0.00000 0.37881 108 3S 0.00000 0.00000 0.30240 109 3PX 0.00000 0.00000 0.00000 0.10751 110 3PY 0.07004 0.00000 0.00000 0.00000 0.05313 111 3PZ 0.00000 0.09297 0.00000 0.00000 0.00000 112 4XX 0.00000 0.00000 -0.00699 0.00000 0.00000 113 4YY 0.00000 0.00000 -0.00001 0.00000 0.00000 114 4ZZ 0.00000 0.00000 -0.00197 0.00000 0.00000 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S -0.00006 -0.00028 0.00128 0.00012 -0.00024 119 2S 0.00171 0.00516 -0.01942 -0.00292 0.00272 120 2PX 0.00661 0.01964 0.00361 0.00059 0.00087 121 2PY -0.00067 0.00301 0.00274 -0.00034 0.00416 122 2PZ 0.00318 0.00253 0.00548 0.00691 0.00110 123 3S -0.00371 0.00745 -0.06779 -0.00104 0.00117 124 3PX 0.00755 0.02076 0.00144 -0.00163 0.00035 125 3PY -0.00375 0.00481 0.00726 -0.00034 0.01064 126 3PZ 0.00399 -0.00207 0.01220 0.00729 0.00218 127 4XX 0.00104 0.00161 0.00209 -0.00128 0.00059 128 4YY 0.00000 0.00028 0.00064 0.00000 -0.00021 129 4ZZ 0.00043 -0.00046 0.00073 0.00114 0.00015 130 4XY 0.00020 0.00115 0.00019 0.00001 0.00021 131 4XZ 0.00034 -0.00008 0.00037 0.00001 0.00003 132 4YZ 0.00018 0.00005 0.00012 0.00021 0.00012 133 15 C 1S 0.00000 0.00000 0.00006 0.00014 0.00007 134 2S -0.00018 -0.00012 -0.00090 -0.00167 -0.00102 135 2PX -0.00014 -0.00041 -0.00264 -0.00116 -0.00012 136 2PY 0.00000 -0.00029 0.00040 -0.00157 -0.00078 137 2PZ -0.00016 -0.00003 -0.00187 -0.00288 -0.00017 138 3S -0.00149 -0.00044 0.00149 -0.00488 -0.00286 139 3PX -0.00093 -0.00124 -0.00468 -0.00073 -0.00046 140 3PY -0.00001 -0.00153 0.00071 -0.00141 -0.00035 141 3PZ -0.00101 0.00036 -0.00045 -0.00620 -0.00134 142 4XX -0.00001 0.00010 0.00003 0.00036 0.00003 143 4YY 0.00000 -0.00004 -0.00023 -0.00041 0.00006 144 4ZZ -0.00001 0.00003 0.00025 0.00021 -0.00012 145 4XY 0.00000 0.00004 0.00002 -0.00009 -0.00004 146 4XZ 0.00000 0.00004 -0.00010 0.00005 0.00002 147 4YZ 0.00000 -0.00001 0.00000 0.00002 -0.00005 148 16 C 1S -0.00287 0.00000 0.00011 0.00000 -0.00013 149 2S 0.04297 0.00000 0.00956 0.00000 0.01038 150 2PX 0.00000 0.00000 0.00000 0.02166 0.00000 151 2PY 0.10300 0.00000 0.03203 0.00000 0.01886 152 2PZ 0.00000 0.01211 0.00000 0.00000 0.00000 153 3S 0.03203 0.00000 -0.01174 0.00000 -0.00774 154 3PX 0.00000 0.00000 0.00000 0.02493 0.00000 155 3PY 0.01886 0.00000 -0.00774 0.00000 0.00238 156 3PZ 0.00000 0.01873 0.00000 0.00000 0.00000 157 4XX -0.00167 0.00000 -0.00101 0.00000 -0.00166 158 4YY 0.00315 0.00000 0.00361 0.00000 0.00143 159 4ZZ -0.00128 0.00000 -0.00207 0.00000 -0.00096 160 4XY 0.00000 0.00000 0.00000 0.00113 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00234 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00006 0.00030 0.00000 164 2S 0.00002 0.00003 -0.00031 0.00313 0.00032 165 18 H 1S 0.00000 0.00000 0.00021 0.00010 -0.00008 166 2S -0.00002 0.00051 0.00239 -0.00042 -0.00054 167 19 O 1S 0.00000 0.00000 -0.00011 0.00000 -0.00014 168 2S -0.00007 -0.00003 0.00175 -0.00001 0.00149 169 2PX -0.00012 -0.00007 -0.00098 0.00024 0.00014 170 2PY -0.00034 -0.00004 -0.00391 0.00057 -0.00411 171 2PZ -0.00014 0.00002 0.00032 -0.00091 -0.00146 172 3S 0.00138 -0.00129 0.01002 0.00118 0.01200 173 3PX -0.00111 -0.00130 -0.00459 -0.00122 0.00131 174 3PY -0.00346 -0.00068 -0.01561 0.00190 -0.00972 175 3PZ -0.00196 -0.00025 0.00201 -0.00340 -0.00487 176 4XX -0.00005 0.00002 0.00008 -0.00011 -0.00029 177 4YY -0.00005 0.00001 -0.00056 -0.00001 -0.00055 178 4ZZ -0.00002 0.00000 -0.00011 0.00004 -0.00014 179 4XY 0.00012 -0.00001 -0.00004 0.00001 0.00009 180 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 181 4YZ 0.00007 0.00000 0.00002 0.00002 0.00002 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00012 0.00003 0.00003 184 21 H 1S 0.00000 0.00000 0.00000 0.00004 0.00000 185 2S 0.00000 0.00007 0.00004 0.00100 0.00008 186 22 H 1S 0.03855 0.05488 0.05282 0.00177 0.01253 187 2S 0.02222 0.03132 0.03771 -0.00039 0.01031 188 23 H 1S -0.00045 0.00000 -0.00418 0.00003 -0.00397 189 2S -0.00595 -0.00030 -0.01561 -0.00006 -0.00811 111 112 113 114 115 111 3PZ 0.09327 112 4XX 0.00000 0.00284 113 4YY 0.00000 -0.00027 0.00124 114 4ZZ 0.00000 -0.00019 -0.00008 0.00166 115 4XY 0.00000 0.00000 0.00000 0.00000 0.00146 116 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 117 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 118 14 O 1S 0.00040 -0.00006 0.00001 0.00000 -0.00005 119 2S -0.00508 0.00138 -0.00019 0.00007 0.00089 120 2PX 0.00354 -0.00096 -0.00048 0.00157 0.00038 121 2PY 0.00004 0.00096 0.00017 0.00023 0.00025 122 2PZ -0.00136 0.00397 -0.00031 -0.00055 0.00125 123 3S -0.01271 0.00244 -0.00007 -0.00012 0.00096 124 3PX 0.00188 -0.00195 -0.00143 0.00390 0.00001 125 3PY 0.00017 0.00147 -0.00054 0.00045 0.00071 126 3PZ -0.00724 0.00627 -0.00099 -0.00197 0.00073 127 4XX 0.00141 -0.00007 -0.00001 0.00008 0.00004 128 4YY 0.00012 0.00010 -0.00004 0.00002 0.00002 129 4ZZ -0.00059 -0.00001 0.00001 -0.00001 0.00000 130 4XY 0.00007 -0.00005 0.00001 0.00004 0.00000 131 4XZ 0.00008 0.00003 -0.00003 -0.00001 0.00003 132 4YZ 0.00001 0.00016 0.00000 -0.00003 -0.00002 133 15 C 1S 0.00002 0.00000 0.00000 0.00000 0.00000 134 2S 0.00026 0.00001 -0.00001 0.00002 0.00002 135 2PX -0.00122 0.00005 -0.00002 0.00006 0.00004 136 2PY -0.00112 0.00000 0.00000 0.00003 0.00000 137 2PZ 0.00021 0.00004 -0.00002 0.00003 0.00004 138 3S 0.00277 -0.00004 -0.00010 0.00015 0.00005 139 3PX -0.00116 -0.00001 -0.00015 0.00042 0.00005 140 3PY -0.00109 -0.00017 0.00003 0.00009 -0.00007 141 3PZ 0.00048 0.00044 -0.00013 -0.00008 0.00002 142 4XX 0.00020 -0.00001 0.00000 0.00001 0.00000 143 4YY -0.00032 0.00000 0.00000 0.00000 0.00000 144 4ZZ 0.00017 0.00001 0.00000 -0.00001 0.00000 145 4XY -0.00003 0.00000 0.00000 0.00001 0.00000 146 4XZ 0.00001 0.00001 0.00000 0.00000 0.00000 147 4YZ -0.00004 0.00001 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 -0.00027 0.00000 0.00000 149 2S 0.00000 -0.00061 0.00367 -0.00064 0.00000 150 2PX 0.00000 0.00000 0.00000 0.00000 0.00205 151 2PY 0.00000 -0.00167 0.00315 -0.00128 0.00000 152 2PZ 0.01873 0.00000 0.00000 0.00000 0.00000 153 3S 0.00000 -0.00101 0.00361 -0.00207 0.00000 154 3PX 0.00000 0.00000 0.00000 0.00000 0.00113 155 3PY 0.00000 -0.00166 0.00143 -0.00096 0.00000 156 3PZ 0.02710 0.00000 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00004 -0.00005 0.00000 0.00000 158 4YY 0.00000 -0.00005 -0.00005 -0.00004 0.00000 159 4ZZ 0.00000 0.00000 -0.00004 0.00005 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00113 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00004 0.00000 0.00000 0.00000 0.00000 164 2S -0.00042 -0.00009 0.00001 0.00003 0.00000 165 18 H 1S 0.00018 0.00000 0.00000 0.00000 0.00000 166 2S 0.00259 0.00009 0.00000 -0.00016 -0.00001 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00019 0.00000 0.00000 0.00000 0.00000 169 2PX -0.00032 0.00000 0.00001 0.00000 0.00001 170 2PY 0.00089 0.00000 0.00002 0.00000 0.00001 171 2PZ -0.00037 0.00000 0.00000 0.00000 0.00001 172 3S -0.00278 -0.00009 0.00013 0.00004 0.00003 173 3PX -0.00172 -0.00002 0.00012 0.00008 0.00007 174 3PY 0.00219 -0.00010 0.00036 0.00002 0.00013 175 3PZ -0.00289 0.00004 0.00004 -0.00004 0.00004 176 4XX 0.00020 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00016 0.00000 0.00000 0.00000 0.00001 178 4ZZ -0.00003 0.00000 0.00000 0.00000 0.00000 179 4XY -0.00001 0.00000 0.00001 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 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 0.00015 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00002 0.00000 0.00000 0.00000 0.00000 185 2S 0.00076 0.00000 0.00000 0.00000 0.00000 186 22 H 1S 0.02524 -0.00145 -0.00033 0.00234 0.00041 187 2S 0.02355 -0.00256 -0.00044 0.00314 0.00010 188 23 H 1S -0.00012 0.00000 0.00001 0.00000 0.00000 189 2S 0.00007 0.00023 -0.00027 0.00027 0.00001 116 117 118 119 120 116 4XZ 0.00147 117 4YZ 0.00000 0.00192 118 14 O 1S -0.00008 -0.00003 2.07557 119 2S 0.00157 0.00056 -0.04159 0.50359 120 2PX 0.00289 0.00116 0.00000 0.00000 0.64791 121 2PY 0.00116 0.00016 0.00000 0.00000 0.00000 122 2PZ 0.00026 -0.00003 0.00000 0.00000 0.00000 123 3S 0.00101 0.00085 -0.04102 0.45246 0.00000 124 3PX 0.00088 0.00070 0.00000 0.00000 0.20361 125 3PY 0.00076 0.00045 0.00000 0.00000 0.00000 126 3PZ -0.00001 0.00002 0.00000 0.00000 0.00000 127 4XX 0.00005 -0.00001 -0.00051 -0.00156 0.00000 128 4YY 0.00009 0.00001 -0.00042 -0.00456 0.00000 129 4ZZ -0.00002 -0.00001 -0.00047 -0.00299 0.00000 130 4XY 0.00013 -0.00003 0.00000 0.00000 0.00000 131 4XZ 0.00005 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00001 0.00000 0.00000 0.00000 0.00000 133 15 C 1S 0.00000 0.00000 0.00000 -0.00001 -0.00005 134 2S 0.00001 0.00002 -0.00001 0.00022 0.00251 135 2PX 0.00006 0.00004 -0.00012 0.00238 -0.00016 136 2PY 0.00000 0.00000 -0.00042 0.00832 0.00934 137 2PZ 0.00005 0.00002 -0.00012 0.00236 0.00233 138 3S -0.00005 0.00008 0.00106 -0.01601 0.00165 139 3PX 0.00006 0.00006 0.00013 -0.00145 0.00018 140 3PY -0.00006 -0.00006 -0.00015 0.00066 0.00390 141 3PZ -0.00001 0.00004 0.00011 -0.00118 0.00263 142 4XX 0.00001 0.00000 0.00001 -0.00028 0.00005 143 4YY 0.00000 0.00000 -0.00008 0.00199 0.00137 144 4ZZ 0.00000 0.00000 0.00001 -0.00022 0.00030 145 4XY 0.00001 0.00000 -0.00004 0.00093 -0.00007 146 4XZ 0.00001 0.00000 -0.00001 0.00019 -0.00001 147 4YZ 0.00000 0.00000 -0.00005 0.00114 0.00132 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00000 0.00000 -0.00003 -0.00005 150 2PX 0.00000 0.00000 0.00000 -0.00003 0.00010 151 2PY 0.00000 0.00000 0.00000 -0.00007 -0.00012 152 2PZ 0.00000 0.00234 0.00000 -0.00003 -0.00007 153 3S 0.00000 0.00000 -0.00011 0.00175 -0.00098 154 3PX 0.00000 0.00000 0.00000 -0.00001 0.00024 155 3PY 0.00000 0.00000 -0.00014 0.00149 0.00014 156 3PZ 0.00000 0.00113 0.00000 0.00019 -0.00032 157 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00000 0.00000 0.00000 0.00000 0.00001 159 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00001 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 -0.00018 0.00000 0.00000 0.00001 163 17 H 1S 0.00000 0.00000 0.00000 -0.00005 -0.00023 164 2S 0.00001 -0.00001 0.00006 -0.00107 -0.00553 165 18 H 1S 0.00000 0.00000 0.00000 -0.00004 0.00002 166 2S -0.00003 0.00001 0.00005 -0.00073 0.00089 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00001 0.00000 -0.00001 0.00000 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S -0.00003 0.00000 -0.00002 0.00039 0.00000 173 3PX 0.00000 0.00007 0.00000 0.00000 0.00005 174 3PY -0.00004 0.00009 0.00002 -0.00063 0.00000 175 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 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 0.00000 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 0.00023 0.00377 0.00000 -0.00006 -0.00004 187 2S 0.00003 0.00064 0.00016 -0.00225 -0.00058 188 23 H 1S 0.00000 0.00004 0.00000 0.00000 0.00000 189 2S 0.00001 0.00022 0.00000 0.00003 0.00010 121 122 123 124 125 121 2PY 0.66560 122 2PZ 0.00000 0.71652 123 3S 0.00000 0.00000 0.75618 124 3PX 0.00000 0.00000 0.00000 0.26578 125 3PY 0.21181 0.00000 0.00000 0.00000 0.26979 126 3PZ 0.00000 0.23212 0.00000 0.00000 0.00000 127 4XX 0.00000 0.00000 -0.00294 0.00000 0.00000 128 4YY 0.00000 0.00000 -0.01283 0.00000 0.00000 129 4ZZ 0.00000 0.00000 -0.00451 0.00000 0.00000 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S -0.00022 -0.00005 0.00084 -0.00032 -0.00300 134 2S 0.01257 0.00249 -0.01440 0.00325 0.02932 135 2PX 0.01062 0.00213 0.00278 -0.00392 0.01402 136 2PY 0.02342 0.01090 0.00788 0.00863 0.01971 137 2PZ 0.01134 -0.00004 0.00307 0.00160 0.01545 138 3S 0.01000 0.00124 -0.06227 0.00174 0.02200 139 3PX 0.00431 0.00176 -0.00434 0.00062 0.00668 140 3PY 0.00085 0.00528 -0.00312 0.00456 -0.00009 141 3PZ 0.00439 0.00255 -0.00504 0.00430 0.00681 142 4XX 0.00007 0.00031 -0.00147 -0.00113 0.00041 143 4YY -0.00048 0.00163 0.00617 0.00172 -0.00079 144 4ZZ 0.00008 0.00002 -0.00165 0.00131 0.00022 145 4XY 0.00225 0.00135 0.00069 0.00056 0.00092 146 4XZ 0.00099 -0.00001 0.00008 0.00004 0.00063 147 4YZ 0.00250 -0.00012 0.00088 0.00085 0.00103 148 16 C 1S 0.00000 0.00000 -0.00001 0.00004 0.00011 149 2S -0.00016 0.00000 -0.00015 -0.00104 -0.00329 150 2PX -0.00010 -0.00008 -0.00043 0.00070 -0.00122 151 2PY -0.00034 -0.00014 0.00138 -0.00111 -0.00346 152 2PZ -0.00004 0.00002 -0.00129 -0.00130 -0.00068 153 3S -0.00391 0.00032 0.01002 -0.00459 -0.01561 154 3PX 0.00057 -0.00091 0.00118 -0.00122 0.00190 155 3PY -0.00411 -0.00146 0.01200 0.00131 -0.00972 156 3PZ 0.00089 -0.00037 -0.00278 -0.00172 0.00219 157 4XX 0.00000 0.00000 -0.00009 -0.00002 -0.00010 158 4YY 0.00002 0.00000 0.00013 0.00012 0.00036 159 4ZZ 0.00000 0.00000 0.00004 0.00008 0.00002 160 4XY 0.00001 0.00001 0.00003 0.00007 0.00013 161 4XZ 0.00000 0.00000 -0.00003 0.00000 -0.00004 162 4YZ 0.00001 0.00000 0.00000 0.00007 0.00009 163 17 H 1S -0.00003 0.00003 -0.00165 -0.00522 -0.00040 164 2S -0.00102 0.00091 -0.00220 -0.02178 -0.00266 165 18 H 1S -0.00003 -0.00026 -0.00186 0.00062 -0.00064 166 2S -0.00090 -0.00755 -0.00585 0.00419 -0.00312 167 19 O 1S 0.00000 0.00000 -0.00002 0.00000 0.00002 168 2S -0.00001 0.00000 0.00039 0.00000 -0.00063 169 2PX 0.00000 0.00000 0.00000 0.00005 0.00000 170 2PY -0.00009 0.00000 -0.00113 0.00000 -0.00629 171 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 3S -0.00113 0.00000 0.00661 0.00000 -0.00516 173 3PX 0.00000 0.00000 0.00000 0.00052 0.00000 174 3PY -0.00629 0.00000 -0.00516 0.00000 -0.02518 175 3PZ 0.00000 0.00014 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 -0.00002 0.00000 -0.00006 177 4YY 0.00001 0.00000 -0.00029 0.00000 0.00002 178 4ZZ 0.00000 0.00000 0.00002 0.00000 -0.00005 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 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 0.00000 0.00000 0.00000 -0.00001 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00004 0.00000 0.00000 186 22 H 1S -0.00001 -0.00014 -0.00308 -0.00017 -0.00010 187 2S -0.00012 -0.00325 -0.01369 0.00034 -0.00030 188 23 H 1S 0.00000 0.00000 0.00001 0.00002 0.00003 189 2S 0.00014 -0.00001 0.00029 0.00085 0.00122 126 127 128 129 130 126 3PZ 0.30851 127 4XX 0.00000 0.00104 128 4YY 0.00000 -0.00011 0.00294 129 4ZZ 0.00000 0.00001 -0.00008 0.00079 130 4XY 0.00000 0.00000 0.00000 0.00000 0.00161 131 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 132 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 15 C 1S -0.00029 0.00000 -0.00016 0.00000 -0.00006 134 2S 0.00287 -0.00010 0.00280 -0.00007 0.00071 135 2PX 0.00123 -0.00008 0.00180 0.00002 0.00006 136 2PY 0.01197 -0.00038 0.00191 -0.00017 0.00037 137 2PZ -0.00395 -0.00003 0.00188 -0.00009 0.00043 138 3S -0.00041 0.00031 0.00289 0.00029 0.00025 139 3PX 0.00232 -0.00032 0.00087 0.00001 0.00017 140 3PY 0.00760 -0.00014 0.00032 0.00018 0.00004 141 3PZ 0.00838 -0.00005 0.00093 -0.00026 0.00013 142 4XX 0.00137 0.00003 -0.00001 -0.00004 0.00000 143 4YY 0.00233 -0.00010 -0.00006 -0.00008 0.00009 144 4ZZ -0.00138 -0.00003 0.00002 0.00003 0.00000 145 4XY 0.00087 0.00000 0.00014 -0.00005 0.00000 146 4XZ 0.00003 0.00000 0.00015 0.00000 0.00000 147 4YZ 0.00059 -0.00006 0.00018 0.00000 0.00007 148 16 C 1S -0.00001 0.00000 0.00000 0.00000 0.00000 149 2S 0.00015 0.00000 -0.00003 0.00000 0.00002 150 2PX -0.00130 -0.00001 -0.00001 0.00001 0.00002 151 2PY -0.00196 -0.00005 -0.00005 -0.00002 0.00012 152 2PZ -0.00024 0.00002 0.00001 0.00000 -0.00001 153 3S 0.00201 0.00008 -0.00056 -0.00011 -0.00004 154 3PX -0.00340 -0.00011 -0.00001 0.00004 0.00001 155 3PY -0.00488 -0.00029 -0.00055 -0.00014 0.00009 156 3PZ -0.00289 0.00020 0.00016 -0.00003 -0.00001 157 4XX 0.00004 0.00000 0.00000 0.00000 0.00000 158 4YY 0.00004 0.00000 0.00000 0.00000 0.00001 159 4ZZ -0.00004 0.00000 0.00000 0.00000 0.00000 160 4XY 0.00004 0.00000 0.00001 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ -0.00001 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00076 0.00010 0.00000 -0.00001 0.00003 164 2S 0.00434 0.00072 -0.00028 -0.00023 -0.00009 165 18 H 1S -0.00614 -0.00001 0.00000 0.00009 0.00000 166 2S -0.03002 -0.00022 -0.00014 0.00078 0.00002 167 19 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 168 2S 0.00000 0.00000 0.00000 0.00000 0.00000 169 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 170 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 171 2PZ 0.00014 0.00000 0.00000 0.00000 0.00000 172 3S 0.00000 -0.00002 -0.00029 0.00002 0.00000 173 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 174 3PY 0.00000 -0.00006 0.00002 -0.00005 0.00000 175 3PZ 0.00163 0.00000 0.00000 0.00000 0.00000 176 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 177 4YY 0.00000 0.00000 0.00003 0.00000 0.00000 178 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 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 -0.00001 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S -0.00002 0.00000 0.00000 0.00000 0.00000 186 22 H 1S -0.00288 0.00003 0.00000 0.00008 0.00001 187 2S -0.01157 0.00011 0.00015 0.00047 0.00002 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S -0.00018 0.00000 0.00002 -0.00001 0.00000 131 132 133 134 135 131 4XZ 0.00045 132 4YZ 0.00000 0.00151 133 15 C 1S -0.00001 -0.00007 2.04980 134 2S 0.00011 0.00087 -0.01427 0.34291 135 2PX 0.00003 0.00054 0.00000 0.00000 0.42805 136 2PY 0.00010 0.00075 0.00000 0.00000 0.00000 137 2PZ 0.00001 0.00002 0.00000 0.00000 0.00000 138 3S 0.00002 0.00030 -0.02762 0.21128 0.00000 139 3PX 0.00007 0.00012 0.00000 0.00000 0.08854 140 3PY -0.00001 0.00005 0.00000 0.00000 0.00000 141 3PZ 0.00005 0.00021 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 -0.00141 0.00019 0.00000 143 4YY -0.00005 0.00010 -0.00104 -0.00728 0.00000 144 4ZZ 0.00000 0.00000 -0.00140 -0.00031 0.00000 145 4XY 0.00000 0.00010 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 149 2S 0.00000 0.00002 0.00000 -0.00016 -0.00038 150 2PX 0.00000 0.00002 0.00000 -0.00030 -0.00036 151 2PY 0.00001 0.00007 0.00000 -0.00018 -0.00014 152 2PZ 0.00000 0.00000 0.00000 -0.00012 -0.00041 153 3S 0.00000 0.00002 0.00006 -0.00090 -0.00264 154 3PX 0.00000 0.00002 0.00014 -0.00167 -0.00116 155 3PY 0.00000 0.00002 0.00007 -0.00102 -0.00012 156 3PZ 0.00000 0.00000 0.00002 0.00026 -0.00122 157 4XX 0.00000 0.00000 0.00000 0.00001 0.00005 158 4YY 0.00000 0.00000 0.00000 -0.00001 -0.00002 159 4ZZ 0.00000 0.00000 0.00000 0.00002 0.00006 160 4XY 0.00000 0.00000 0.00000 0.00002 0.00004 161 4XZ 0.00000 0.00000 0.00000 0.00001 0.00006 162 4YZ 0.00000 0.00000 0.00000 0.00002 0.00004 163 17 H 1S 0.00001 0.00000 -0.00189 0.03335 0.09740 164 2S 0.00002 0.00001 -0.00112 0.01682 0.05688 165 18 H 1S 0.00001 0.00003 -0.00189 0.03298 0.00488 166 2S 0.00003 -0.00016 -0.00105 0.01599 0.00409 167 19 O 1S 0.00000 0.00000 0.00000 -0.00001 -0.00012 168 2S 0.00000 0.00000 -0.00001 0.00022 0.00238 169 2PX 0.00000 0.00000 -0.00005 0.00251 -0.00016 170 2PY 0.00000 0.00000 -0.00022 0.01256 0.01062 171 2PZ 0.00000 0.00000 -0.00005 0.00249 0.00213 172 3S 0.00000 0.00000 0.00084 -0.01440 0.00278 173 3PX 0.00000 0.00000 -0.00032 0.00325 -0.00392 174 3PY 0.00000 0.00000 -0.00300 0.02932 0.01402 175 3PZ 0.00000 0.00000 -0.00029 0.00288 0.00123 176 4XX 0.00000 0.00000 0.00000 -0.00010 -0.00008 177 4YY 0.00000 0.00000 -0.00016 0.00280 0.00180 178 4ZZ 0.00000 0.00000 0.00000 -0.00007 0.00002 179 4XY 0.00000 0.00000 -0.00006 0.00071 0.00006 180 4XZ 0.00000 0.00000 -0.00001 0.00011 0.00003 181 4YZ 0.00000 0.00000 -0.00007 0.00087 0.00054 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 0.00006 0.00001 0.00000 0.00000 0.00000 187 2S 0.00007 0.00004 0.00000 0.00020 0.00020 188 23 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 189 2S 0.00000 -0.00001 0.00000 0.00020 0.00020 136 137 138 139 140 136 2PY 0.29269 137 2PZ 0.00000 0.42487 138 3S 0.00000 0.00000 0.23348 139 3PX 0.00000 0.00000 0.00000 0.06207 140 3PY 0.04043 0.00000 0.00000 0.00000 0.02606 141 3PZ 0.00000 0.08272 0.00000 0.00000 0.00000 142 4XX 0.00000 0.00000 0.00151 0.00000 0.00000 143 4YY 0.00000 0.00000 -0.00812 0.00000 0.00000 144 4ZZ 0.00000 0.00000 0.00201 0.00000 0.00000 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00000 0.00000 0.00009 0.00018 0.00001 149 2S -0.00003 -0.00024 -0.00098 -0.00203 -0.00026 150 2PX -0.00032 -0.00061 -0.00291 -0.00095 -0.00173 151 2PY 0.00000 -0.00016 -0.00149 -0.00093 -0.00001 152 2PZ -0.00029 -0.00003 -0.00044 -0.00124 -0.00153 153 3S 0.00040 -0.00187 0.00149 -0.00468 0.00071 154 3PX -0.00157 -0.00288 -0.00488 -0.00073 -0.00141 155 3PY -0.00078 -0.00017 -0.00286 -0.00046 -0.00035 156 3PZ -0.00112 0.00021 0.00277 -0.00117 -0.00109 157 4XX 0.00000 0.00004 -0.00004 -0.00001 -0.00017 158 4YY 0.00000 -0.00002 -0.00010 -0.00015 0.00003 159 4ZZ 0.00003 0.00003 0.00015 0.00042 0.00009 160 4XY 0.00000 0.00004 0.00005 0.00005 -0.00007 161 4XZ 0.00000 0.00005 -0.00005 0.00006 -0.00006 162 4YZ 0.00000 0.00002 0.00008 0.00006 -0.00006 163 17 H 1S 0.00000 0.00385 0.03985 0.04873 0.00000 164 2S 0.00000 0.00314 0.02109 0.04010 0.00000 165 18 H 1S 0.00000 0.09572 0.04348 0.00168 0.00000 166 2S 0.00000 0.05685 0.03018 0.00184 0.00000 167 19 O 1S -0.00042 -0.00012 0.00106 0.00013 -0.00015 168 2S 0.00832 0.00236 -0.01601 -0.00145 0.00066 169 2PX 0.00934 0.00233 0.00165 0.00018 0.00390 170 2PY 0.02341 0.01135 0.01000 0.00431 0.00085 171 2PZ 0.01090 -0.00004 0.00124 0.00177 0.00528 172 3S 0.00788 0.00308 -0.06226 -0.00434 -0.00312 173 3PX 0.00862 0.00160 0.00174 0.00062 0.00455 174 3PY 0.01969 0.01545 0.02199 0.00668 -0.00009 175 3PZ 0.01198 -0.00395 -0.00041 0.00232 0.00761 176 4XX -0.00038 -0.00003 0.00031 -0.00032 -0.00014 177 4YY 0.00191 0.00188 0.00289 0.00087 0.00032 178 4ZZ -0.00017 -0.00009 0.00029 0.00001 0.00018 179 4XY 0.00036 0.00043 0.00025 0.00017 0.00004 180 4XZ 0.00010 0.00001 0.00002 0.00007 -0.00001 181 4YZ 0.00075 0.00002 0.00030 0.00012 0.00005 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00002 -0.00002 -0.00001 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00002 -0.00002 -0.00001 186 22 H 1S 0.00000 0.00000 0.00014 0.00015 0.00019 187 2S 0.00017 0.00029 0.00131 0.00123 0.00115 188 23 H 1S 0.00000 0.00000 0.00014 0.00015 0.00018 189 2S 0.00017 0.00029 0.00131 0.00123 0.00115 141 142 143 144 145 141 3PZ 0.06494 142 4XX 0.00000 0.00335 143 4YY 0.00000 -0.00041 0.00343 144 4ZZ 0.00000 -0.00055 -0.00046 0.00350 145 4XY 0.00000 0.00000 0.00000 0.00000 0.00248 146 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 147 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 148 16 C 1S 0.00012 0.00000 0.00000 0.00000 0.00000 149 2S -0.00154 0.00004 -0.00002 0.00001 0.00002 150 2PX -0.00361 0.00011 -0.00006 0.00007 0.00000 151 2PY -0.00101 -0.00001 0.00000 -0.00001 0.00000 152 2PZ 0.00036 0.00010 -0.00004 0.00003 0.00004 153 3S -0.00045 0.00003 -0.00023 0.00025 0.00002 154 3PX -0.00620 0.00036 -0.00041 0.00021 -0.00009 155 3PY -0.00134 0.00003 0.00006 -0.00012 -0.00004 156 3PZ 0.00048 0.00020 -0.00032 0.00017 -0.00003 157 4XX 0.00044 -0.00001 0.00000 0.00001 0.00000 158 4YY -0.00013 0.00000 0.00000 0.00000 0.00000 159 4ZZ -0.00008 0.00001 0.00000 -0.00001 0.00001 160 4XY 0.00002 0.00000 0.00000 0.00000 0.00000 161 4XZ -0.00001 0.00001 0.00000 0.00000 0.00001 162 4YZ 0.00004 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00026 0.00897 -0.00137 -0.00146 0.00000 164 2S -0.00020 0.00902 -0.00240 -0.00536 0.00000 165 18 H 1S 0.04186 -0.00142 -0.00145 0.00894 0.00000 166 2S 0.02575 -0.00569 -0.00314 0.01031 0.00000 167 19 O 1S 0.00011 0.00001 -0.00008 0.00001 -0.00004 168 2S -0.00119 -0.00028 0.00199 -0.00022 0.00093 169 2PX 0.00263 0.00005 0.00137 0.00030 -0.00007 170 2PY 0.00439 0.00007 -0.00048 0.00008 0.00225 171 2PZ 0.00255 0.00031 0.00163 0.00002 0.00135 172 3S -0.00504 -0.00147 0.00617 -0.00165 0.00069 173 3PX 0.00430 -0.00113 0.00172 0.00131 0.00056 174 3PY 0.00682 0.00041 -0.00079 0.00022 0.00092 175 3PZ 0.00837 0.00137 0.00233 -0.00138 0.00087 176 4XX -0.00005 0.00003 -0.00010 -0.00003 0.00000 177 4YY 0.00093 -0.00001 -0.00006 0.00002 0.00014 178 4ZZ -0.00026 -0.00004 -0.00008 0.00003 -0.00005 179 4XY 0.00013 0.00000 0.00009 0.00000 0.00000 180 4XZ 0.00005 0.00000 -0.00005 0.00000 0.00000 181 4YZ 0.00021 0.00000 0.00010 0.00000 0.00010 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 0.00008 0.00000 0.00000 0.00000 0.00000 187 2S 0.00056 0.00001 0.00001 -0.00003 0.00000 188 23 H 1S 0.00008 0.00000 0.00000 0.00000 0.00000 189 2S 0.00056 0.00001 0.00001 -0.00003 0.00000 146 147 148 149 150 146 4XZ 0.00106 147 4YZ 0.00000 0.00274 148 16 C 1S 0.00000 0.00000 2.05255 149 2S 0.00001 0.00000 -0.01389 0.33288 150 2PX 0.00009 0.00004 0.00000 0.00000 0.34621 151 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 2PZ 0.00004 -0.00001 0.00000 0.00000 0.00000 153 3S -0.00010 0.00000 -0.03170 0.22132 0.00000 154 3PX 0.00005 0.00002 0.00000 0.00000 0.09508 155 3PY 0.00002 -0.00005 0.00000 0.00000 0.00000 156 3PZ 0.00001 -0.00004 0.00000 0.00000 0.00000 157 4XX 0.00001 0.00001 -0.00093 -0.00929 0.00000 158 4YY 0.00000 0.00000 -0.00136 -0.00072 0.00000 159 4ZZ 0.00000 0.00000 -0.00124 -0.00291 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00001 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00049 0.00000 0.00000 0.00000 0.00000 164 2S 0.00008 0.00000 0.00000 0.00017 0.00068 165 18 H 1S 0.00061 0.00000 0.00000 0.00000 0.00000 166 2S 0.00010 0.00000 0.00000 0.00009 -0.00002 167 19 O 1S -0.00001 -0.00005 0.00000 -0.00006 -0.00048 168 2S 0.00019 0.00114 -0.00002 0.00104 0.00849 169 2PX -0.00001 0.00132 -0.00024 0.01219 0.01590 170 2PY 0.00099 0.00250 -0.00005 0.00218 0.00602 171 2PZ -0.00001 -0.00012 -0.00011 0.00477 0.01887 172 3S 0.00008 0.00088 0.00061 -0.00735 0.01469 173 3PX 0.00004 0.00085 -0.00226 0.02342 0.01029 174 3PY 0.00063 0.00103 -0.00071 0.00626 0.00942 175 3PZ 0.00003 0.00059 -0.00096 0.00742 0.01888 176 4XX 0.00000 -0.00006 -0.00009 0.00127 -0.00098 177 4YY 0.00015 0.00018 -0.00001 0.00012 0.00061 178 4ZZ 0.00000 0.00000 -0.00001 0.00009 0.00030 179 4XY 0.00000 0.00007 -0.00008 0.00088 0.00084 180 4XZ 0.00000 0.00000 -0.00015 0.00130 0.00070 181 4YZ 0.00000 0.00000 -0.00004 0.00036 0.00123 182 20 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 183 2S 0.00000 0.00000 0.00000 0.00001 0.00005 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00000 0.00000 0.00001 186 22 H 1S 0.00000 0.00000 0.00000 -0.00020 -0.00001 187 2S 0.00000 0.00000 0.00024 -0.00382 -0.00027 188 23 H 1S 0.00000 0.00000 -0.00236 0.03823 0.00581 189 2S 0.00000 0.00000 -0.00192 0.02241 0.00247 151 152 153 154 155 151 2PY 0.43069 152 2PZ 0.00000 0.37882 153 3S 0.00000 0.00000 0.30238 154 3PX 0.00000 0.00000 0.00000 0.10752 155 3PY 0.07004 0.00000 0.00000 0.00000 0.05313 156 3PZ 0.00000 0.09297 0.00000 0.00000 0.00000 157 4XX 0.00000 0.00000 -0.00699 0.00000 0.00000 158 4YY 0.00000 0.00000 -0.00002 0.00000 0.00000 159 4ZZ 0.00000 0.00000 -0.00197 0.00000 0.00000 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00000 0.00000 0.00006 0.00030 0.00000 164 2S 0.00002 0.00003 -0.00031 0.00313 0.00032 165 18 H 1S 0.00000 0.00000 0.00021 0.00010 -0.00008 166 2S -0.00002 0.00051 0.00239 -0.00042 -0.00054 167 19 O 1S -0.00006 -0.00028 0.00128 0.00012 -0.00024 168 2S 0.00171 0.00516 -0.01942 -0.00292 0.00273 169 2PX 0.00661 0.01963 0.00361 0.00059 0.00088 170 2PY -0.00067 0.00301 0.00274 -0.00034 0.00415 171 2PZ 0.00318 0.00253 0.00548 0.00691 0.00111 172 3S -0.00371 0.00746 -0.06778 -0.00104 0.00117 173 3PX 0.00756 0.02076 0.00144 -0.00163 0.00035 174 3PY -0.00375 0.00481 0.00726 -0.00034 0.01064 175 3PZ 0.00399 -0.00207 0.01220 0.00728 0.00218 176 4XX 0.00104 0.00161 0.00209 -0.00128 0.00059 177 4YY 0.00000 0.00028 0.00064 0.00000 -0.00021 178 4ZZ 0.00043 -0.00046 0.00073 0.00113 0.00015 179 4XY 0.00020 0.00115 0.00019 0.00001 0.00021 180 4XZ 0.00034 -0.00008 0.00037 0.00001 0.00003 181 4YZ 0.00018 0.00005 0.00012 0.00021 0.00012 182 20 H 1S 0.00000 0.00000 0.00000 0.00004 0.00000 183 2S 0.00000 0.00007 0.00004 0.00100 0.00008 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 0.00012 0.00003 0.00003 186 22 H 1S -0.00045 0.00000 -0.00418 0.00003 -0.00397 187 2S -0.00595 -0.00030 -0.01561 -0.00006 -0.00811 188 23 H 1S 0.03853 0.05489 0.05282 0.00177 0.01252 189 2S 0.02221 0.03133 0.03771 -0.00039 0.01031 156 157 158 159 160 156 3PZ 0.09326 157 4XX 0.00000 0.00284 158 4YY 0.00000 -0.00027 0.00124 159 4ZZ 0.00000 -0.00019 -0.00008 0.00166 160 4XY 0.00000 0.00000 0.00000 0.00000 0.00146 161 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 162 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 17 H 1S 0.00004 0.00000 0.00000 0.00000 0.00000 164 2S -0.00042 -0.00009 0.00001 0.00003 0.00000 165 18 H 1S 0.00018 0.00000 0.00000 0.00000 0.00000 166 2S 0.00259 0.00009 0.00000 -0.00016 -0.00001 167 19 O 1S 0.00040 -0.00006 0.00001 0.00000 -0.00005 168 2S -0.00508 0.00138 -0.00019 0.00007 0.00089 169 2PX 0.00354 -0.00096 -0.00048 0.00157 0.00038 170 2PY 0.00004 0.00096 0.00017 0.00023 0.00025 171 2PZ -0.00136 0.00397 -0.00031 -0.00055 0.00125 172 3S -0.01270 0.00244 -0.00007 -0.00012 0.00096 173 3PX 0.00188 -0.00195 -0.00143 0.00390 0.00001 174 3PY 0.00017 0.00147 -0.00054 0.00045 0.00071 175 3PZ -0.00724 0.00627 -0.00099 -0.00197 0.00073 176 4XX 0.00141 -0.00007 -0.00001 0.00008 0.00004 177 4YY 0.00012 0.00010 -0.00004 0.00002 0.00002 178 4ZZ -0.00059 -0.00001 0.00001 -0.00001 0.00000 179 4XY 0.00007 -0.00005 0.00001 0.00004 0.00000 180 4XZ 0.00008 0.00003 -0.00003 -0.00001 0.00003 181 4YZ 0.00001 0.00016 0.00000 -0.00003 -0.00002 182 20 H 1S 0.00002 0.00000 0.00000 0.00000 0.00000 183 2S 0.00076 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00015 0.00000 0.00000 0.00000 0.00000 186 22 H 1S -0.00012 0.00000 0.00001 0.00000 0.00000 187 2S 0.00007 0.00023 -0.00027 0.00027 0.00001 188 23 H 1S 0.02525 -0.00145 -0.00033 0.00234 0.00041 189 2S 0.02356 -0.00256 -0.00044 0.00314 0.00010 161 162 163 164 165 161 4XZ 0.00147 162 4YZ 0.00000 0.00192 163 17 H 1S 0.00000 0.00000 0.22350 164 2S 0.00001 -0.00001 0.11454 0.16572 165 18 H 1S 0.00000 0.00000 -0.00073 -0.01185 0.22401 166 2S -0.00003 0.00001 -0.01284 -0.04733 0.12138 167 19 O 1S -0.00008 -0.00003 0.00000 0.00006 0.00000 168 2S 0.00157 0.00056 -0.00005 -0.00107 -0.00004 169 2PX 0.00289 0.00116 -0.00023 -0.00553 0.00002 170 2PY 0.00116 0.00016 -0.00003 -0.00102 -0.00003 171 2PZ 0.00026 -0.00003 0.00003 0.00091 -0.00026 172 3S 0.00101 0.00085 -0.00165 -0.00220 -0.00186 173 3PX 0.00088 0.00070 -0.00522 -0.02177 0.00062 174 3PY 0.00077 0.00045 -0.00040 -0.00267 -0.00064 175 3PZ -0.00001 0.00002 0.00076 0.00434 -0.00614 176 4XX 0.00005 -0.00001 0.00010 0.00072 -0.00001 177 4YY 0.00009 0.00001 0.00000 -0.00028 0.00000 178 4ZZ -0.00002 -0.00001 -0.00001 -0.00023 0.00009 179 4XY 0.00013 -0.00003 0.00003 -0.00009 0.00000 180 4XZ 0.00005 0.00000 0.00001 0.00002 0.00001 181 4YZ 0.00001 0.00000 0.00000 0.00001 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 0.00004 0.00000 0.00000 0.00000 187 2S 0.00001 0.00022 0.00000 0.00008 -0.00001 188 23 H 1S 0.00023 0.00377 0.00000 0.00000 0.00000 189 2S 0.00003 0.00064 0.00000 0.00008 -0.00001 166 167 168 169 170 166 2S 0.19878 167 19 O 1S 0.00005 2.07557 168 2S -0.00073 -0.04159 0.50359 169 2PX 0.00089 0.00000 0.00000 0.64791 170 2PY -0.00090 0.00000 0.00000 0.00000 0.66562 171 2PZ -0.00756 0.00000 0.00000 0.00000 0.00000 172 3S -0.00585 -0.04102 0.45246 0.00000 0.00000 173 3PX 0.00419 0.00000 0.00000 0.20361 0.00000 174 3PY -0.00312 0.00000 0.00000 0.00000 0.21182 175 3PZ -0.03003 0.00000 0.00000 0.00000 0.00000 176 4XX -0.00022 -0.00051 -0.00156 0.00000 0.00000 177 4YY -0.00014 -0.00042 -0.00456 0.00000 0.00000 178 4ZZ 0.00078 -0.00047 -0.00299 0.00000 0.00000 179 4XY 0.00002 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00003 0.00000 0.00000 0.00000 0.00000 181 4YZ -0.00016 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 0.00000 0.00000 0.00000 0.00000 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00008 0.00000 0.00000 0.00000 0.00000 186 22 H 1S -0.00001 0.00000 0.00000 0.00000 0.00000 187 2S -0.00038 0.00000 0.00003 0.00010 0.00014 188 23 H 1S -0.00001 0.00000 -0.00006 -0.00004 -0.00001 189 2S -0.00038 0.00016 -0.00225 -0.00058 -0.00012 171 172 173 174 175 171 2PZ 0.71650 172 3S 0.00000 0.75617 173 3PX 0.00000 0.00000 0.26577 174 3PY 0.00000 0.00000 0.00000 0.26980 175 3PZ 0.23211 0.00000 0.00000 0.00000 0.30849 176 4XX 0.00000 -0.00294 0.00000 0.00000 0.00000 177 4YY 0.00000 -0.01283 0.00000 0.00000 0.00000 178 4ZZ 0.00000 -0.00451 0.00000 0.00000 0.00000 179 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 4YZ 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 0.00000 0.00004 0.00000 0.00000 -0.00002 184 21 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 185 2S 0.00000 0.00000 -0.00001 0.00000 -0.00001 186 22 H 1S 0.00000 0.00001 0.00002 0.00003 0.00000 187 2S -0.00001 0.00029 0.00085 0.00122 -0.00018 188 23 H 1S -0.00014 -0.00308 -0.00017 -0.00010 -0.00288 189 2S -0.00325 -0.01369 0.00033 -0.00030 -0.01157 176 177 178 179 180 176 4XX 0.00104 177 4YY -0.00011 0.00294 178 4ZZ 0.00001 -0.00008 0.00079 179 4XY 0.00000 0.00000 0.00000 0.00161 180 4XZ 0.00000 0.00000 0.00000 0.00000 0.00045 181 4YZ 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 0.00000 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 0.00002 -0.00001 0.00000 0.00000 188 23 H 1S 0.00003 0.00000 0.00008 0.00001 0.00006 189 2S 0.00011 0.00015 0.00047 0.00002 0.00007 181 182 183 184 185 181 4YZ 0.00151 182 20 H 1S 0.00000 0.21529 183 2S 0.00000 0.11394 0.15893 184 21 H 1S 0.00000 -0.00005 -0.00202 0.21529 185 2S 0.00000 -0.00202 -0.00835 0.11394 0.15893 186 22 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00001 0.00000 0.00000 0.00000 -0.00006 188 23 H 1S 0.00001 0.00000 0.00000 0.00000 0.00000 189 2S 0.00004 0.00000 -0.00006 0.00000 0.00000 186 187 188 189 186 22 H 1S 0.21549 187 2S 0.10062 0.12396 188 23 H 1S 0.00000 -0.00015 0.21549 189 2S -0.00015 0.00011 0.10062 0.12396 Gross orbital populations: 1 1 1 C 1S 1.99191 2 2S 0.70501 3 2PX 0.64895 4 2PY 0.74795 5 2PZ 0.68316 6 3S 0.50002 7 3PX 0.32195 8 3PY 0.20204 9 3PZ 0.30110 10 4XX -0.01176 11 4YY 0.00155 12 4ZZ -0.00528 13 4XY 0.00869 14 4XZ 0.00540 15 4YZ 0.00997 16 2 C 1S 1.99262 17 2S 0.70383 18 2PX 0.61237 19 2PY 0.72535 20 2PZ 0.68244 21 3S 0.59620 22 3PX 0.32767 23 3PY 0.24311 24 3PZ 0.25795 25 4XX -0.01515 26 4YY 0.01157 27 4ZZ -0.00535 28 4XY 0.00395 29 4XZ 0.00662 30 4YZ 0.00631 31 3 C 1S 1.99220 32 2S 0.68132 33 2PX 0.72499 34 2PY 0.68460 35 2PZ 0.69614 36 3S 0.58935 37 3PX 0.33283 38 3PY 0.27009 39 3PZ 0.28728 40 4XX 0.00505 41 4YY -0.00217 42 4ZZ -0.00062 43 4XY 0.00716 44 4XZ 0.00969 45 4YZ 0.00762 46 4 C 1S 1.99220 47 2S 0.68132 48 2PX 0.72499 49 2PY 0.68460 50 2PZ 0.69614 51 3S 0.58935 52 3PX 0.33284 53 3PY 0.27010 54 3PZ 0.28727 55 4XX 0.00505 56 4YY -0.00217 57 4ZZ -0.00062 58 4XY 0.00716 59 4XZ 0.00968 60 4YZ 0.00762 61 5 C 1S 1.99262 62 2S 0.70383 63 2PX 0.61235 64 2PY 0.72536 65 2PZ 0.68244 66 3S 0.59618 67 3PX 0.32768 68 3PY 0.24310 69 3PZ 0.25796 70 4XX -0.01515 71 4YY 0.01157 72 4ZZ -0.00535 73 4XY 0.00395 74 4XZ 0.00662 75 4YZ 0.00631 76 6 C 1S 1.99191 77 2S 0.70501 78 2PX 0.64895 79 2PY 0.74796 80 2PZ 0.68314 81 3S 0.50002 82 3PX 0.32197 83 3PY 0.20202 84 3PZ 0.30110 85 4XX -0.01176 86 4YY 0.00154 87 4ZZ -0.00528 88 4XY 0.00869 89 4XZ 0.00540 90 4YZ 0.00997 91 7 H 1S 0.53307 92 2S 0.35110 93 8 H 1S 0.53359 94 2S 0.34361 95 9 H 1S 0.53199 96 2S 0.32148 97 10 H 1S 0.53199 98 2S 0.32146 99 11 H 1S 0.53359 100 2S 0.34361 101 12 H 1S 0.53307 102 2S 0.35110 103 13 C 1S 1.99219 104 2S 0.70394 105 2PX 0.59316 106 2PY 0.75710 107 2PZ 0.65429 108 3S 0.49499 109 3PX 0.25385 110 3PY 0.17400 111 3PZ 0.26763 112 4XX -0.00742 113 4YY 0.00527 114 4ZZ -0.00003 115 4XY 0.01112 116 4XZ 0.01091 117 4YZ 0.01425 118 14 O 1S 1.99234 119 2S 0.89932 120 2PX 0.93698 121 2PY 0.96356 122 2PZ 1.01236 123 3S 1.00625 124 3PX 0.52122 125 3PY 0.55959 126 3PZ 0.56879 127 4XX 0.00128 128 4YY -0.00122 129 4ZZ -0.00484 130 4XY 0.00765 131 4XZ 0.00371 132 4YZ 0.00696 133 15 C 1S 1.99193 134 2S 0.70992 135 2PX 0.73003 136 2PY 0.53059 137 2PZ 0.72491 138 3S 0.45533 139 3PX 0.24766 140 3PY 0.09849 141 3PZ 0.23699 142 4XX 0.01406 143 4YY 0.00335 144 4ZZ 0.01373 145 4XY 0.01768 146 4XZ 0.00681 147 4YZ 0.01937 148 16 C 1S 1.99219 149 2S 0.70394 150 2PX 0.59317 151 2PY 0.75708 152 2PZ 0.65431 153 3S 0.49498 154 3PX 0.25386 155 3PY 0.17399 156 3PZ 0.26763 157 4XX -0.00743 158 4YY 0.00526 159 4ZZ -0.00003 160 4XY 0.01112 161 4XZ 0.01091 162 4YZ 0.01425 163 17 H 1S 0.54013 164 2S 0.30933 165 18 H 1S 0.54161 166 2S 0.31784 167 19 O 1S 1.99234 168 2S 0.89932 169 2PX 0.93697 170 2PY 0.96358 171 2PZ 1.01234 172 3S 1.00625 173 3PX 0.52123 174 3PY 0.55961 175 3PZ 0.56877 176 4XX 0.00128 177 4YY -0.00122 178 4ZZ -0.00484 179 4XY 0.00765 180 4XZ 0.00371 181 4YZ 0.00696 182 20 H 1S 0.52953 183 2S 0.32410 184 21 H 1S 0.52953 185 2S 0.32409 186 22 H 1S 0.52971 187 2S 0.30213 188 23 H 1S 0.52970 189 2S 0.30213 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.906266 0.553401 -0.023518 -0.031232 -0.043943 0.509928 2 C 0.553401 4.999290 0.374473 -0.033020 -0.022711 -0.043944 3 C -0.023518 0.374473 5.060580 0.333679 -0.033027 -0.031229 4 C -0.031232 -0.033020 0.333679 5.060600 0.374478 -0.023519 5 C -0.043943 -0.022711 -0.033027 0.374478 4.999247 0.553435 6 C 0.509928 -0.043944 -0.031229 -0.023519 0.553435 4.906197 7 H 0.367131 -0.052128 0.005698 -0.000156 0.006077 -0.051750 8 H -0.042416 0.361915 -0.051199 0.005215 0.000137 0.007379 9 H 0.003494 -0.033811 0.352751 -0.027677 0.001390 0.001073 10 H 0.001074 0.001387 -0.027675 0.352741 -0.033822 0.003492 11 H 0.007379 0.000137 0.005215 -0.051200 0.361913 -0.042415 12 H -0.051752 0.006077 -0.000156 0.005698 -0.052126 0.367130 13 C -0.016904 0.109667 -0.004126 -0.014419 -0.006325 -0.022830 14 O 0.000580 -0.010799 -0.004492 0.000320 -0.000388 0.000474 15 C -0.000126 0.000260 -0.000448 -0.000449 0.000260 -0.000126 16 C -0.022839 -0.006325 -0.014423 -0.004115 0.109649 -0.016884 17 H 0.000006 -0.000074 0.000066 0.000065 -0.000074 0.000006 18 H -0.000062 0.000715 0.000521 0.000523 0.000715 -0.000062 19 O 0.000474 -0.000389 0.000321 -0.004502 -0.010793 0.000580 20 H 0.001687 0.002385 -0.034061 0.375818 -0.039430 -0.005860 21 H -0.005866 -0.039438 0.375820 -0.034060 0.002383 0.001689 22 H -0.004215 -0.018631 0.000462 0.000286 0.001041 0.002106 23 H 0.002107 0.001041 0.000286 0.000460 -0.018621 -0.004214 7 8 9 10 11 12 1 C 0.367131 -0.042416 0.003494 0.001074 0.007379 -0.051752 2 C -0.052128 0.361915 -0.033811 0.001387 0.000137 0.006077 3 C 0.005698 -0.051199 0.352751 -0.027675 0.005215 -0.000156 4 C -0.000156 0.005215 -0.027677 0.352741 -0.051200 0.005698 5 C 0.006077 0.000137 0.001390 -0.033822 0.361913 -0.052126 6 C -0.051750 0.007379 0.001073 0.003492 -0.042415 0.367130 7 H 0.624218 -0.007994 -0.000199 0.000017 -0.000145 -0.007408 8 H -0.007994 0.613631 -0.000667 -0.000156 -0.000004 -0.000145 9 H -0.000199 -0.000667 0.605942 -0.012412 -0.000156 0.000017 10 H 0.000017 -0.000156 -0.012412 0.605954 -0.000665 -0.000199 11 H -0.000145 -0.000004 -0.000156 -0.000665 0.613634 -0.007995 12 H -0.007408 -0.000145 0.000017 -0.000199 -0.007995 0.624219 13 C 0.000631 -0.008905 -0.010500 0.000553 0.001099 -0.000074 14 O -0.000014 0.000524 0.013072 0.000124 -0.000011 0.000001 15 C 0.000000 -0.000038 -0.000291 -0.000292 -0.000038 0.000000 16 C -0.000074 0.001100 0.000554 -0.010515 -0.008900 0.000631 17 H 0.000000 0.000000 0.000259 0.000259 0.000000 0.000000 18 H 0.000000 0.000009 -0.001802 -0.001806 0.000009 0.000000 19 O 0.000001 -0.000011 0.000123 0.013086 0.000523 -0.000014 20 H -0.000001 -0.000112 0.004404 -0.042571 -0.000657 -0.000050 21 H -0.000050 -0.000655 -0.042566 0.004406 -0.000112 -0.000001 22 H 0.000298 -0.000381 0.000522 -0.000050 -0.000034 0.000020 23 H 0.000020 -0.000034 -0.000050 0.000523 -0.000379 0.000298 13 14 15 16 17 18 1 C -0.016904 0.000580 -0.000126 -0.022839 0.000006 -0.000062 2 C 0.109667 -0.010799 0.000260 -0.006325 -0.000074 0.000715 3 C -0.004126 -0.004492 -0.000448 -0.014423 0.000066 0.000521 4 C -0.014419 0.000320 -0.000449 -0.004115 0.000065 0.000523 5 C -0.006325 -0.000388 0.000260 0.109649 -0.000074 0.000715 6 C -0.022830 0.000474 -0.000126 -0.016884 0.000006 -0.000062 7 H 0.000631 -0.000014 0.000000 -0.000074 0.000000 0.000000 8 H -0.008905 0.000524 -0.000038 0.001100 0.000000 0.000009 9 H -0.010500 0.013072 -0.000291 0.000554 0.000259 -0.001802 10 H 0.000553 0.000124 -0.000292 -0.010515 0.000259 -0.001806 11 H 0.001099 -0.000011 -0.000038 -0.008900 0.000000 0.000009 12 H -0.000074 0.000001 0.000000 0.000631 0.000000 0.000000 13 C 4.923715 0.230647 -0.058176 0.490222 0.003982 0.004888 14 O 0.230647 8.190573 0.255656 -0.039176 -0.035470 -0.050949 15 C -0.058176 0.255656 4.669071 -0.058174 0.366229 0.360619 16 C 0.490222 -0.039176 -0.058174 4.923717 0.003983 0.004888 17 H 0.003982 -0.035470 0.366229 0.003983 0.618287 -0.072752 18 H 0.004888 -0.050949 0.360619 0.004888 -0.072752 0.665552 19 O -0.039178 -0.042486 0.255653 0.230651 -0.035468 -0.050948 20 H 0.000341 -0.000028 -0.000014 0.002064 -0.000002 0.000088 21 H 0.002065 0.000029 -0.000014 0.000341 -0.000002 0.000088 22 H 0.381034 -0.036732 0.005649 -0.042178 0.000081 -0.000394 23 H -0.042177 0.002500 0.005649 0.381031 0.000081 -0.000394 19 20 21 22 23 1 C 0.000474 0.001687 -0.005866 -0.004215 0.002107 2 C -0.000389 0.002385 -0.039438 -0.018631 0.001041 3 C 0.000321 -0.034061 0.375820 0.000462 0.000286 4 C -0.004502 0.375818 -0.034060 0.000286 0.000460 5 C -0.010793 -0.039430 0.002383 0.001041 -0.018621 6 C 0.000580 -0.005860 0.001689 0.002106 -0.004214 7 H 0.000001 -0.000001 -0.000050 0.000298 0.000020 8 H -0.000011 -0.000112 -0.000655 -0.000381 -0.000034 9 H 0.000123 0.004404 -0.042566 0.000522 -0.000050 10 H 0.013086 -0.042571 0.004406 -0.000050 0.000523 11 H 0.000523 -0.000657 -0.000112 -0.000034 -0.000379 12 H -0.000014 -0.000050 -0.000001 0.000020 0.000298 13 C -0.039178 0.000341 0.002065 0.381034 -0.042177 14 O -0.042486 -0.000028 0.000029 -0.036732 0.002500 15 C 0.255653 -0.000014 -0.000014 0.005649 0.005649 16 C 0.230651 0.002064 0.000341 -0.042178 0.381031 17 H -0.035468 -0.000002 -0.000002 0.000081 0.000081 18 H -0.050948 0.000088 0.000088 -0.000394 -0.000394 19 O 8.190558 0.000029 -0.000028 0.002500 -0.036732 20 H 0.000029 0.602096 -0.012447 0.000003 -0.000059 21 H -0.000028 -0.012447 0.602093 -0.000059 0.000003 22 H 0.002500 0.000003 -0.000059 0.540700 -0.000192 23 H -0.036732 -0.000059 0.000003 -0.000192 0.540690 Mulliken charges: 1 1 C -0.110652 2 C -0.149478 3 C -0.285516 4 C -0.285534 5 C -0.149464 6 C -0.110655 7 H 0.115826 8 H 0.122809 9 H 0.146531 10 H 0.146546 11 H 0.122802 12 H 0.115828 13 C 0.074772 14 O -0.473953 15 C 0.199143 16 C 0.074774 17 H 0.150537 18 H 0.140552 19 O -0.473950 20 H 0.146375 21 H 0.146382 22 H 0.168165 23 H 0.168163 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.005174 2 C -0.026669 3 C 0.007397 4 C 0.007386 5 C -0.026663 6 C 0.005173 13 C 0.242937 14 O -0.473953 15 C 0.490232 16 C 0.242937 19 O -0.473950 APT charges: 1 1 C -0.099233 2 C 0.123538 3 C 0.068950 4 C 0.068938 5 C 0.123490 6 C -0.099142 7 H 0.001912 8 H -0.027085 9 H -0.021304 10 H -0.021292 11 H -0.027094 12 H 0.001911 13 C 0.345728 14 O -0.678473 15 C 0.788418 16 C 0.345745 17 H -0.078334 18 H -0.070689 19 O -0.678531 20 H -0.041896 21 H -0.041897 22 H 0.008168 23 H 0.008172 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 C -0.097321 2 C 0.096453 3 C 0.005748 4 C 0.005750 5 C 0.096396 6 C -0.097231 13 C 0.353897 14 O -0.678473 15 C 0.639395 16 C 0.353917 19 O -0.678531 Electronic spatial extent (au): = 1462.8664 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= 0.0000 XZ= 2.5925 YZ= -0.0006 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -1.5896 YY= -1.7849 ZZ= 3.3745 XY= 0.0000 XZ= 2.5925 YZ= -0.0006 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 35.3307 YYY= 0.0014 ZZZ= -4.5902 XYY= -4.5858 XXY= -0.0013 XXZ= 2.3237 XZZ= 4.2927 YZZ= -0.0003 YYZ= -4.6298 XYZ= -0.0010 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1027.3317 YYYY= -454.0203 ZZZZ= -400.8117 XXXY= -0.0010 XXXZ= 25.2473 YYYX= 0.0022 YYYZ= -0.0012 ZZZX= -1.4230 ZZZY= 0.0020 XXYY= -270.3034 XXZZ= -230.4581 YYZZ= -137.0173 XXYZ= -0.0021 YYXZ= 2.4754 ZZXY= 0.0008 N-N= 6.505347088001D+02 E-N=-2.466037915287D+03 KE= 4.958567352523D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.176836 29.026218 2 O -19.176831 29.026285 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 -1.107170 2.296507 13 O -1.013195 2.785728 14 O -0.829084 1.400527 15 O -0.765909 1.721683 16 O -0.733696 1.473755 17 O -0.728678 1.513929 18 O -0.643757 1.895237 19 O -0.614530 1.756535 20 O -0.603989 1.457205 21 O -0.584676 1.408521 22 O -0.532374 1.336077 23 O -0.511541 1.178824 24 O -0.494177 0.996031 25 O -0.470196 1.352491 26 O -0.446711 1.573917 27 O -0.443553 1.143028 28 O -0.441043 1.573760 29 O -0.405580 1.357447 30 O -0.397903 1.212973 31 O -0.389635 1.719111 32 O -0.384147 1.292314 33 O -0.373292 1.575189 34 O -0.355257 2.366500 35 O -0.348819 1.413677 36 O -0.328580 1.796956 37 O -0.319425 1.470148 38 O -0.317080 1.391307 39 O -0.286259 1.368459 40 O -0.198006 1.279521 41 O -0.185597 1.798740 42 V -0.006986 1.479529 43 V 0.010188 1.673712 44 V 0.083786 0.940081 45 V 0.112325 0.984513 46 V 0.119133 1.770363 47 V 0.122466 1.842665 48 V 0.123157 0.999987 49 V 0.135170 1.073433 50 V 0.144243 1.535422 51 V 0.145258 1.041202 52 V 0.163942 1.653372 53 V 0.171442 1.388383 54 V 0.177647 1.367806 55 V 0.192700 1.270981 56 V 0.197772 2.353383 57 V 0.203001 1.219663 58 V 0.228887 1.314362 59 V 0.236117 1.143582 60 V 0.242721 1.412677 61 V 0.249114 1.439825 62 V 0.304389 1.683472 63 V 0.313625 1.479593 64 V 0.326617 1.752307 65 V 0.370134 2.525636 66 V 0.432158 1.929585 67 V 0.473980 1.814294 68 V 0.477971 1.842659 69 V 0.491401 1.616043 70 V 0.508307 2.036387 71 V 0.523167 2.095522 72 V 0.546532 2.522554 73 V 0.547871 1.755757 74 V 0.548668 2.108100 75 V 0.568907 2.371581 76 V 0.579344 2.171920 77 V 0.607434 2.323822 78 V 0.613354 1.950982 79 V 0.618226 1.942446 80 V 0.636305 2.358906 81 V 0.663089 2.521668 82 V 0.678634 2.532043 83 V 0.712831 2.399499 84 V 0.722927 2.418488 85 V 0.740942 2.512550 86 V 0.751900 2.579569 87 V 0.775363 2.174642 88 V 0.795747 2.393705 89 V 0.798773 2.614824 90 V 0.810710 2.532995 91 V 0.828473 2.500811 92 V 0.842110 2.285808 93 V 0.854432 2.766060 94 V 0.864505 2.706411 95 V 0.880606 2.597065 96 V 0.884448 2.489273 97 V 0.885198 2.710965 98 V 0.887089 2.868293 99 V 0.898056 2.577240 100 V 0.913855 2.700556 101 V 0.937166 2.656037 102 V 0.940303 2.589412 103 V 0.951236 2.714937 104 V 1.007936 2.256276 105 V 1.014390 2.336364 106 V 1.022948 2.836206 107 V 1.027250 2.464871 108 V 1.092088 3.076119 109 V 1.099205 2.654195 110 V 1.114140 2.823571 111 V 1.149206 2.616011 112 V 1.151874 2.999895 113 V 1.189464 2.470872 114 V 1.204053 2.548156 115 V 1.251268 2.394757 116 V 1.264388 2.522643 117 V 1.367263 2.620160 118 V 1.370460 2.851772 119 V 1.398334 2.557559 120 V 1.427039 2.655119 121 V 1.432163 2.569740 122 V 1.438600 2.643857 123 V 1.475739 2.604534 124 V 1.492042 2.727375 125 V 1.526425 2.731801 126 V 1.585296 2.729112 127 V 1.639988 2.848133 128 V 1.661093 2.867848 129 V 1.720443 2.847303 130 V 1.723417 2.956487 131 V 1.758449 2.890035 132 V 1.770892 3.084049 133 V 1.794190 3.089684 134 V 1.860007 3.080341 135 V 1.877783 3.223055 136 V 1.885342 3.369064 137 V 1.908422 3.243952 138 V 1.935620 3.247705 139 V 1.958247 3.419429 140 V 1.976522 3.549611 141 V 1.978381 3.699277 142 V 1.981014 3.551791 143 V 2.000535 3.502416 144 V 2.019366 3.666483 145 V 2.041608 3.521295 146 V 2.088899 3.490912 147 V 2.120237 3.689761 148 V 2.140827 3.517955 149 V 2.160190 3.640541 150 V 2.230129 3.505999 151 V 2.254877 3.549651 152 V 2.262027 3.557635 153 V 2.279914 3.600190 154 V 2.291931 3.680228 155 V 2.309614 3.817488 156 V 2.318550 3.601920 157 V 2.371170 3.779160 158 V 2.401507 3.844964 159 V 2.434357 3.875080 160 V 2.448088 3.771402 161 V 2.451442 3.854186 162 V 2.484078 3.927507 163 V 2.522246 3.909228 164 V 2.545380 4.007366 165 V 2.598900 4.362537 166 V 2.627404 4.427865 167 V 2.645181 4.262201 168 V 2.675686 4.223223 169 V 2.692959 4.304453 170 V 2.694419 4.369060 171 V 2.736158 4.291616 172 V 2.765917 4.303029 173 V 2.803898 4.577675 174 V 2.866864 4.485887 175 V 2.879953 4.651924 176 V 2.944564 4.768116 177 V 3.105761 4.916552 178 V 3.131189 4.838727 179 V 4.006223 10.862466 180 V 4.105776 10.794558 181 V 4.127666 10.147715 182 V 4.252022 10.394604 183 V 4.268090 10.250241 184 V 4.362068 10.479362 185 V 4.370178 10.258845 186 V 4.448583 10.340598 187 V 4.489349 10.367748 188 V 4.649656 10.705344 189 V 4.874520 11.552619 Total kinetic energy from orbitals= 4.958567352523D+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 --- -528.8179 -6.6160 -0.0009 -0.0008 -0.0003 1.1409 Low frequencies --- 12.4745 98.5344 123.3590 ****** 1 imaginary frequencies (negative Signs) ****** Diagonal vibrational polarizability: 22.5952568 5.1133124 9.0033959 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 -- -528.8179 98.5296 123.3556 Red. masses -- 6.9481 4.2689 2.4726 Frc consts -- 1.1448 0.0244 0.0222 IR Inten -- 0.4122 0.0098 10.1088 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 -0.06 -0.03 0.08 0.09 0.02 -0.02 0.00 -0.02 2 6 0.33 -0.08 -0.14 0.19 -0.06 0.01 -0.01 0.00 -0.03 3 6 0.00 0.00 0.02 0.07 -0.15 0.02 0.03 0.00 -0.04 4 6 0.00 0.00 0.02 -0.07 -0.15 -0.02 0.03 0.00 -0.04 5 6 0.33 0.08 -0.14 -0.19 -0.06 -0.01 -0.01 0.00 -0.03 6 6 0.01 0.06 -0.03 -0.08 0.09 -0.02 -0.02 0.00 -0.02 7 1 -0.16 0.01 0.14 0.14 0.17 0.03 -0.03 0.00 -0.01 8 1 0.16 -0.06 -0.05 0.31 -0.06 0.07 -0.01 0.00 -0.03 9 1 -0.03 -0.01 0.14 0.09 -0.24 0.08 0.04 -0.01 -0.08 10 1 -0.03 0.01 0.14 -0.09 -0.24 -0.08 0.04 0.01 -0.08 11 1 0.16 0.06 -0.05 -0.31 -0.06 -0.07 -0.02 0.00 -0.03 12 1 -0.16 -0.01 0.14 -0.14 0.17 -0.03 -0.03 0.00 -0.01 13 6 -0.28 0.10 0.20 -0.05 -0.06 -0.06 0.00 0.00 0.02 14 8 -0.03 -0.02 -0.03 -0.03 0.08 -0.15 -0.09 0.01 0.13 15 6 -0.04 0.00 -0.01 0.00 0.18 0.00 0.18 0.00 -0.15 16 6 -0.28 -0.10 0.20 0.05 -0.06 0.06 0.00 0.00 0.02 17 1 -0.04 0.00 -0.01 0.00 0.18 0.00 0.11 0.00 -0.63 18 1 -0.04 0.00 -0.01 0.00 0.30 0.00 0.67 0.00 -0.06 19 8 -0.03 0.02 -0.03 0.03 0.08 0.15 -0.09 -0.01 0.13 20 1 -0.11 -0.02 -0.10 -0.07 -0.10 0.02 0.06 -0.01 -0.02 21 1 -0.11 0.02 -0.10 0.07 -0.10 -0.02 0.06 0.01 -0.02 22 1 0.23 -0.15 -0.19 -0.07 -0.18 -0.15 0.04 0.00 0.01 23 1 0.23 0.15 -0.19 0.07 -0.18 0.15 0.04 0.00 0.01 4 5 6 A A A Frequencies -- 135.1431 173.0642 200.1013 Red. masses -- 4.5151 4.0358 1.8497 Frc consts -- 0.0486 0.0712 0.0436 IR Inten -- 0.0262 0.4420 0.0462 Atom AN X Y Z X Y Z X Y Z 1 6 0.08 -0.02 -0.08 -0.05 0.00 0.06 -0.02 -0.03 0.02 2 6 0.21 -0.07 -0.16 0.04 0.00 -0.06 0.00 -0.02 -0.01 3 6 -0.03 0.01 -0.05 0.21 0.00 -0.11 0.16 0.01 -0.05 4 6 0.03 0.01 0.05 0.21 0.00 -0.11 -0.16 0.01 0.05 5 6 -0.21 -0.07 0.16 0.04 0.00 -0.06 0.00 -0.02 0.01 6 6 -0.08 -0.02 0.08 -0.05 0.00 0.06 0.02 -0.03 -0.02 7 1 0.16 -0.05 -0.15 -0.15 0.00 0.13 -0.06 -0.02 0.06 8 1 0.28 -0.08 -0.22 0.04 0.00 -0.07 -0.03 -0.01 -0.02 9 1 -0.10 0.05 0.13 0.24 0.02 -0.23 0.31 -0.16 -0.31 10 1 0.10 0.05 -0.13 0.24 -0.02 -0.23 -0.31 -0.16 0.31 11 1 -0.28 -0.08 0.22 0.04 0.00 -0.07 0.03 -0.01 0.02 12 1 -0.16 -0.05 0.15 -0.15 0.00 0.13 0.06 -0.02 -0.06 13 6 -0.06 0.07 0.09 0.02 0.00 -0.09 -0.01 0.02 0.00 14 8 -0.08 0.02 0.18 -0.12 0.00 0.09 -0.04 0.01 0.05 15 6 0.00 -0.02 0.00 -0.19 0.00 0.16 0.00 0.00 0.00 16 6 0.06 0.07 -0.09 0.02 0.00 -0.09 0.01 0.02 0.00 17 1 0.00 0.06 0.00 -0.17 0.00 0.27 0.00 0.05 0.00 18 1 0.00 -0.21 0.00 -0.30 0.00 0.13 0.00 -0.05 0.00 19 8 0.08 0.02 -0.18 -0.12 0.00 0.09 0.04 0.01 -0.05 20 1 0.20 0.04 0.23 0.30 0.01 -0.02 -0.42 0.21 -0.10 21 1 -0.20 0.04 -0.23 0.30 -0.01 -0.02 0.42 0.21 0.10 22 1 0.09 0.09 0.06 0.09 0.01 -0.10 0.00 0.03 0.01 23 1 -0.09 0.09 -0.06 0.09 -0.01 -0.10 0.00 0.03 -0.01 7 8 9 A A A Frequencies -- 244.2578 278.3724 369.6630 Red. masses -- 6.9576 4.5427 3.0234 Frc consts -- 0.2446 0.2074 0.2434 IR Inten -- 0.3912 0.2550 0.6309 Atom AN X Y Z X Y Z X Y Z 1 6 -0.02 0.12 0.03 0.25 0.00 -0.08 -0.04 0.00 0.12 2 6 -0.06 0.10 0.08 0.05 0.01 0.10 0.12 -0.01 -0.04 3 6 -0.04 0.08 0.05 0.00 0.00 0.11 -0.13 0.00 0.04 4 6 0.04 0.08 -0.05 0.00 0.00 0.11 -0.13 0.00 0.04 5 6 0.06 0.10 -0.08 0.05 -0.01 0.10 0.12 0.01 -0.04 6 6 0.02 0.12 -0.03 0.25 0.00 -0.08 -0.04 0.00 0.12 7 1 -0.02 0.14 0.05 0.46 0.00 -0.23 -0.15 -0.02 0.18 8 1 0.00 0.09 0.06 0.08 0.01 0.12 0.20 -0.03 -0.08 9 1 -0.05 0.10 0.06 -0.01 0.00 0.14 -0.19 -0.01 0.28 10 1 0.05 0.10 -0.06 -0.01 0.00 0.14 -0.19 0.01 0.28 11 1 0.00 0.09 -0.06 0.08 -0.01 0.12 0.20 0.03 -0.08 12 1 0.02 0.14 -0.05 0.46 0.00 -0.23 -0.15 0.02 0.18 13 6 -0.12 -0.25 0.00 -0.05 -0.01 -0.12 0.12 0.00 -0.16 14 8 -0.31 -0.06 0.10 -0.17 0.01 0.01 -0.03 0.01 0.03 15 6 0.00 0.05 0.00 -0.13 0.00 -0.05 0.00 0.00 -0.01 16 6 0.12 -0.25 0.00 -0.05 0.01 -0.12 0.12 0.00 -0.16 17 1 0.00 0.35 0.00 -0.14 0.00 -0.13 -0.01 0.00 -0.07 18 1 0.00 -0.08 0.00 -0.04 0.00 -0.04 0.05 0.00 0.00 19 8 0.31 -0.06 -0.10 -0.17 -0.01 0.01 -0.03 -0.01 0.03 20 1 0.05 0.00 -0.07 -0.02 -0.01 0.09 -0.32 0.00 -0.15 21 1 -0.05 0.00 0.07 -0.02 0.01 0.09 -0.32 0.00 -0.15 22 1 -0.22 -0.31 -0.01 -0.08 0.03 -0.07 0.18 0.01 -0.17 23 1 0.22 -0.31 0.01 -0.08 -0.03 -0.07 0.18 -0.01 -0.17 10 11 12 A A A Frequencies -- 507.8236 539.4783 592.9146 Red. masses -- 4.7176 4.0280 3.8952 Frc consts -- 0.7168 0.6907 0.8068 IR Inten -- 6.5667 0.8389 0.0385 Atom AN X Y Z X Y Z X Y Z 1 6 0.14 0.04 -0.20 0.21 -0.14 0.00 0.04 0.06 -0.16 2 6 -0.11 0.05 0.02 0.02 -0.03 0.14 -0.11 0.03 -0.01 3 6 -0.02 -0.11 -0.05 0.03 0.15 0.16 -0.01 -0.06 -0.04 4 6 0.02 -0.11 0.05 -0.03 0.15 -0.16 0.01 -0.06 0.04 5 6 0.11 0.05 -0.02 -0.02 -0.03 -0.14 0.10 0.04 0.01 6 6 -0.14 0.04 0.20 -0.21 -0.14 0.00 -0.04 0.06 0.16 7 1 0.31 -0.03 -0.37 0.45 -0.05 -0.11 0.18 -0.04 -0.33 8 1 0.03 0.03 0.06 -0.01 -0.05 -0.10 0.05 0.02 0.02 9 1 0.02 -0.10 -0.17 0.08 0.09 0.12 0.05 -0.08 -0.25 10 1 -0.02 -0.10 0.17 -0.08 0.09 -0.12 -0.05 -0.08 0.25 11 1 -0.03 0.03 -0.06 0.01 -0.05 0.10 -0.05 0.02 -0.02 12 1 -0.31 -0.03 0.37 -0.45 -0.05 0.11 -0.18 -0.04 0.33 13 6 0.20 0.00 -0.17 0.00 0.00 0.03 -0.19 0.00 0.18 14 8 -0.06 0.03 0.06 0.01 0.01 -0.01 0.05 -0.03 -0.06 15 6 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.01 0.00 16 6 -0.20 0.00 0.17 0.00 0.00 -0.03 0.19 0.00 -0.18 17 1 0.00 0.05 0.00 0.00 0.02 0.00 0.00 0.00 0.00 18 1 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.01 0.00 19 8 0.06 0.03 -0.06 -0.01 0.01 0.01 -0.05 -0.03 0.06 20 1 -0.10 -0.10 -0.06 -0.09 0.09 -0.25 -0.17 -0.03 -0.11 21 1 0.10 -0.10 0.06 0.09 0.09 0.25 0.17 -0.03 0.11 22 1 0.13 0.03 -0.12 -0.10 0.05 0.11 -0.24 0.04 0.23 23 1 -0.13 0.03 0.12 0.10 0.05 -0.11 0.24 0.04 -0.23 13 14 15 A A A Frequencies -- 595.6406 707.3966 745.7555 Red. masses -- 5.4318 1.2350 5.6444 Frc consts -- 1.1354 0.3641 1.8495 IR Inten -- 0.8944 31.5969 1.8725 Atom AN X Y Z X Y Z X Y Z 1 6 0.14 0.03 0.17 -0.04 0.02 0.04 0.03 -0.01 -0.04 2 6 0.02 0.31 -0.02 0.01 -0.05 -0.01 0.01 -0.01 -0.01 3 6 -0.05 0.05 -0.20 0.00 0.00 -0.02 0.02 -0.01 0.00 4 6 -0.05 -0.05 -0.20 0.00 0.00 -0.02 0.02 0.01 0.00 5 6 0.02 -0.31 -0.02 0.01 0.05 -0.01 0.01 0.01 -0.01 6 6 0.14 -0.03 0.17 -0.04 -0.02 0.04 0.03 0.01 -0.04 7 1 0.03 -0.21 0.08 0.31 -0.03 -0.24 -0.27 0.07 0.22 8 1 0.04 0.30 -0.09 0.39 -0.11 -0.24 -0.20 0.02 0.13 9 1 -0.09 -0.04 0.04 0.00 0.02 -0.02 -0.03 0.04 0.07 10 1 -0.09 0.04 0.04 0.00 -0.02 -0.02 -0.03 -0.04 0.07 11 1 0.04 -0.30 -0.09 0.39 0.11 -0.24 -0.20 -0.02 0.13 12 1 0.03 0.21 0.08 0.31 0.03 -0.24 -0.27 -0.07 0.22 13 6 -0.05 -0.02 0.07 0.01 -0.02 0.03 0.09 0.02 0.09 14 8 -0.01 0.00 -0.01 -0.01 0.04 0.00 0.00 0.36 0.00 15 6 -0.01 0.00 -0.01 -0.02 0.00 -0.01 -0.13 0.00 -0.13 16 6 -0.05 0.02 0.07 0.01 0.02 0.03 0.09 -0.02 0.09 17 1 -0.01 0.00 -0.01 -0.02 0.00 -0.01 -0.15 0.00 -0.10 18 1 -0.02 0.00 -0.01 -0.03 0.00 -0.02 -0.26 0.00 -0.18 19 8 -0.01 0.00 -0.01 -0.01 -0.04 0.00 0.00 -0.36 0.00 20 1 -0.14 0.11 -0.20 -0.01 0.01 -0.02 -0.05 0.04 -0.05 21 1 -0.14 -0.11 -0.20 -0.01 -0.01 -0.02 -0.05 -0.04 -0.05 22 1 -0.20 0.00 0.14 -0.26 0.06 0.19 -0.14 -0.22 -0.04 23 1 -0.20 0.00 0.14 -0.26 -0.06 0.19 -0.14 0.22 -0.04 16 17 18 A A A Frequencies -- 782.8999 811.9930 834.9262 Red. masses -- 1.2028 1.8122 1.4812 Frc consts -- 0.4343 0.7040 0.6084 IR Inten -- 8.7267 0.0034 19.2677 Atom AN X Y Z X Y Z X Y Z 1 6 0.03 0.00 -0.03 0.10 -0.04 -0.03 0.06 -0.01 0.00 2 6 0.02 -0.05 0.00 0.02 0.06 -0.01 0.02 0.02 -0.01 3 6 0.03 -0.03 -0.02 0.03 -0.02 -0.03 0.02 -0.01 -0.06 4 6 0.03 0.03 -0.02 -0.03 -0.02 0.03 -0.02 -0.01 0.06 5 6 0.02 0.05 0.00 -0.02 0.06 0.01 -0.02 0.02 0.01 6 6 0.03 0.00 -0.03 -0.10 -0.04 0.02 -0.06 -0.01 0.00 7 1 -0.22 0.09 0.21 -0.15 0.00 0.17 -0.14 0.04 0.18 8 1 -0.06 -0.03 0.08 -0.47 0.14 0.25 -0.17 0.05 0.10 9 1 -0.07 0.09 0.16 0.00 -0.04 0.10 -0.03 0.02 0.05 10 1 -0.07 -0.09 0.16 0.00 -0.04 -0.10 0.03 0.01 -0.05 11 1 -0.06 0.03 0.08 0.47 0.14 -0.25 0.17 0.05 -0.10 12 1 -0.22 -0.09 0.21 0.15 0.00 -0.17 0.14 0.04 -0.18 13 6 0.01 -0.02 0.00 -0.08 0.07 -0.02 0.08 -0.06 0.05 14 8 -0.01 -0.03 0.00 -0.04 -0.05 -0.03 0.00 0.01 -0.01 15 6 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 0.03 0.00 16 6 0.01 0.02 0.00 0.08 0.07 0.02 -0.08 -0.06 -0.05 17 1 0.00 0.00 -0.01 0.00 0.03 0.00 0.00 0.08 0.00 18 1 0.02 0.00 0.01 0.00 -0.01 0.00 0.00 0.06 0.00 19 8 -0.01 0.03 0.00 0.04 -0.05 0.03 0.00 0.01 0.01 20 1 -0.15 0.12 -0.15 0.06 -0.03 0.11 0.07 0.02 0.15 21 1 -0.15 -0.12 -0.15 -0.06 -0.03 -0.11 -0.07 0.02 -0.15 22 1 -0.36 0.21 0.32 0.18 -0.05 -0.21 -0.36 0.21 0.42 23 1 -0.37 -0.21 0.32 -0.18 -0.05 0.21 0.36 0.21 -0.42 19 20 21 A A A Frequencies -- 840.1795 855.6481 875.8257 Red. masses -- 2.2467 1.4308 3.2613 Frc consts -- 0.9344 0.6172 1.4739 IR Inten -- 0.0201 0.2014 20.3606 Atom AN X Y Z X Y Z X Y Z 1 6 -0.05 0.01 -0.05 -0.02 -0.01 0.04 0.04 -0.02 -0.03 2 6 -0.03 0.08 -0.05 -0.02 -0.05 0.05 0.00 0.04 -0.01 3 6 0.11 0.14 0.10 0.05 -0.06 -0.08 0.02 -0.01 0.01 4 6 0.11 -0.14 0.10 0.05 0.06 -0.08 -0.02 -0.01 -0.01 5 6 -0.03 -0.08 -0.05 -0.02 0.05 0.05 0.00 0.04 0.01 6 6 -0.05 -0.01 -0.05 -0.01 0.01 0.04 -0.04 -0.02 0.03 7 1 -0.03 -0.02 -0.09 0.26 0.01 -0.14 -0.13 -0.01 0.10 8 1 -0.01 0.07 -0.24 -0.14 -0.03 0.18 -0.21 0.07 0.09 9 1 -0.08 0.41 0.35 -0.13 0.18 0.17 0.01 -0.04 0.05 10 1 -0.08 -0.41 0.35 -0.13 -0.18 0.17 -0.01 -0.04 -0.05 11 1 -0.01 -0.07 -0.24 -0.14 0.03 0.18 0.21 0.07 -0.09 12 1 -0.03 0.02 -0.09 0.26 -0.01 -0.14 0.13 -0.01 -0.10 13 6 0.00 0.00 0.01 -0.01 0.01 0.01 0.00 -0.17 0.08 14 8 0.00 -0.01 0.00 0.00 0.00 0.00 0.13 0.11 0.11 15 6 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.12 0.00 16 6 0.00 0.00 0.01 -0.01 -0.01 0.01 0.00 -0.17 -0.08 17 1 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 -0.16 0.00 18 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 19 8 0.00 0.01 0.00 0.00 0.00 0.00 -0.13 0.11 -0.11 20 1 -0.21 0.15 -0.06 -0.22 0.31 -0.21 0.00 -0.03 0.00 21 1 -0.21 -0.15 -0.06 -0.22 -0.31 -0.21 0.00 -0.03 0.00 22 1 0.04 -0.04 -0.03 0.18 -0.12 -0.16 0.35 -0.38 -0.20 23 1 0.04 0.04 -0.03 0.18 0.12 -0.16 -0.35 -0.38 0.20 22 23 24 A A A Frequencies -- 924.8035 948.6797 961.8717 Red. masses -- 2.2214 3.1664 1.2944 Frc consts -- 1.1194 1.6790 0.7056 IR Inten -- 0.6121 48.4209 1.5856 Atom AN X Y Z X Y Z X Y Z 1 6 0.04 0.04 0.04 -0.02 0.01 0.04 0.03 0.03 -0.04 2 6 -0.02 -0.12 0.09 0.00 -0.03 0.02 -0.05 0.01 0.06 3 6 -0.05 0.04 -0.14 -0.01 0.01 -0.04 0.00 -0.04 -0.02 4 6 0.05 0.04 0.14 0.01 0.01 0.04 0.00 0.04 -0.02 5 6 0.02 -0.12 -0.09 0.00 -0.03 -0.02 -0.05 -0.01 0.06 6 6 -0.04 0.04 -0.04 0.02 0.01 -0.04 0.03 -0.03 -0.04 7 1 0.22 0.24 0.07 0.22 0.03 -0.11 -0.24 0.10 0.19 8 1 -0.05 -0.11 0.26 -0.06 -0.02 0.08 0.50 -0.07 -0.15 9 1 -0.09 0.24 -0.28 -0.02 0.06 -0.06 -0.03 0.01 0.01 10 1 0.09 0.24 0.28 0.02 0.06 0.06 -0.03 -0.01 0.01 11 1 0.05 -0.11 -0.25 0.05 -0.02 -0.08 0.50 0.07 -0.15 12 1 -0.22 0.24 -0.07 -0.22 0.03 0.11 -0.25 -0.10 0.20 13 6 -0.03 0.00 -0.01 0.04 0.01 0.03 0.00 -0.03 0.03 14 8 0.01 0.04 0.01 0.03 -0.16 0.03 -0.01 -0.02 -0.01 15 6 0.00 -0.06 0.00 0.00 0.32 0.00 -0.01 0.00 -0.01 16 6 0.03 0.00 0.01 -0.04 0.01 -0.03 0.00 0.03 0.03 17 1 0.00 -0.12 0.00 0.00 0.47 0.00 0.00 0.00 0.00 18 1 0.00 -0.05 0.00 0.00 0.19 0.00 -0.02 0.00 -0.01 19 8 -0.01 0.04 -0.01 -0.03 -0.16 -0.03 -0.01 0.02 -0.01 20 1 0.05 0.20 0.21 0.00 0.05 0.05 -0.02 0.15 0.02 21 1 -0.05 0.20 -0.21 0.00 0.05 -0.05 -0.02 -0.15 0.02 22 1 0.01 -0.10 -0.11 0.39 0.20 0.06 0.12 -0.20 -0.15 23 1 -0.01 -0.10 0.11 -0.39 0.20 -0.06 0.12 0.20 -0.15 25 26 27 A A A Frequencies -- 962.4944 1007.0783 1012.0944 Red. masses -- 1.7863 5.4125 1.7601 Frc consts -- 0.9750 3.2343 1.0622 IR Inten -- 12.9713 19.6780 7.3886 Atom AN X Y Z X Y Z X Y Z 1 6 -0.03 -0.04 0.12 0.00 0.01 -0.03 -0.08 0.06 -0.05 2 6 0.01 0.10 -0.02 -0.02 0.03 0.04 0.05 -0.09 -0.04 3 6 0.02 -0.04 -0.06 0.01 -0.02 -0.01 0.02 0.03 0.08 4 6 -0.02 -0.04 0.06 0.01 0.02 -0.01 -0.02 0.03 -0.08 5 6 -0.01 0.10 0.02 -0.02 -0.03 0.04 -0.05 -0.09 0.04 6 6 0.03 -0.04 -0.12 0.00 -0.01 -0.03 0.08 0.06 0.05 7 1 0.51 -0.13 -0.33 -0.09 0.01 0.04 0.15 -0.02 -0.27 8 1 -0.13 0.11 -0.01 0.23 0.00 -0.02 -0.49 0.00 0.33 9 1 -0.02 -0.06 0.09 -0.02 0.04 0.00 0.04 0.01 0.05 10 1 0.02 -0.06 -0.09 -0.02 -0.04 0.00 -0.04 0.01 -0.05 11 1 0.13 0.11 0.01 0.23 0.00 -0.02 0.49 0.00 -0.34 12 1 -0.51 -0.13 0.33 -0.09 -0.01 0.04 -0.15 -0.02 0.27 13 6 -0.01 -0.01 0.01 -0.21 0.06 -0.18 0.02 -0.02 -0.01 14 8 0.00 0.02 0.00 0.05 0.17 0.02 -0.01 0.01 0.00 15 6 0.00 -0.03 0.00 0.27 0.00 0.27 0.00 -0.02 0.00 16 6 0.01 -0.01 -0.01 -0.21 -0.06 -0.18 -0.02 -0.02 0.01 17 1 0.00 -0.06 0.00 0.27 0.00 0.26 0.00 -0.02 0.00 18 1 0.00 -0.03 0.00 0.26 0.00 0.27 0.00 0.00 0.00 19 8 0.00 0.02 0.00 0.05 -0.16 0.02 0.01 0.01 0.00 20 1 0.06 -0.08 0.12 -0.04 0.12 0.00 -0.01 0.05 -0.06 21 1 -0.06 -0.07 -0.12 -0.04 -0.12 0.00 0.01 0.05 0.06 22 1 -0.07 -0.04 0.01 -0.15 0.24 -0.08 -0.08 0.01 0.05 23 1 0.07 -0.04 -0.01 -0.15 -0.24 -0.08 0.08 0.01 -0.05 28 29 30 A A A Frequencies -- 1022.2358 1053.6332 1071.1445 Red. masses -- 2.7683 1.9941 2.0400 Frc consts -- 1.7044 1.3043 1.3791 IR Inten -- 5.1916 5.9461 96.9411 Atom AN X Y Z X Y Z X Y Z 1 6 -0.11 0.11 -0.07 0.03 -0.02 0.06 0.01 -0.03 0.00 2 6 0.05 0.13 -0.02 0.07 0.04 -0.05 -0.03 0.00 0.04 3 6 0.03 -0.15 0.06 -0.17 -0.01 0.01 -0.01 0.01 -0.02 4 6 0.03 0.15 0.06 0.17 -0.01 -0.01 -0.01 -0.01 -0.02 5 6 0.05 -0.13 -0.02 -0.07 0.04 0.05 -0.03 0.00 0.04 6 6 -0.11 -0.11 -0.07 -0.03 -0.02 -0.06 0.01 0.03 0.00 7 1 0.03 0.07 -0.21 0.00 -0.01 0.08 -0.05 -0.08 0.01 8 1 0.15 0.17 0.33 -0.13 0.07 0.06 0.14 -0.03 -0.08 9 1 0.05 -0.32 0.23 0.02 -0.13 -0.44 -0.03 0.10 -0.06 10 1 0.05 0.32 0.23 -0.02 -0.13 0.44 -0.03 -0.10 -0.06 11 1 0.15 -0.17 0.33 0.13 0.07 -0.06 0.14 0.03 -0.08 12 1 0.03 -0.07 -0.21 0.00 -0.01 -0.08 -0.05 0.08 0.01 13 6 0.01 0.02 0.00 0.03 -0.01 0.03 -0.04 0.11 -0.03 14 8 0.01 0.00 0.01 -0.02 0.01 -0.01 0.08 0.00 0.06 15 6 -0.03 0.00 -0.03 0.00 -0.02 0.00 -0.12 0.00 -0.13 16 6 0.01 -0.02 0.00 -0.03 -0.01 -0.03 -0.04 -0.11 -0.03 17 1 -0.03 0.00 -0.03 0.00 0.02 0.00 -0.12 0.00 -0.11 18 1 -0.01 0.00 -0.02 0.00 0.05 0.00 -0.09 0.00 -0.11 19 8 0.01 0.00 0.01 0.02 0.01 0.01 0.08 0.00 0.06 20 1 0.03 0.17 0.06 -0.25 0.05 -0.38 0.00 0.12 0.05 21 1 0.03 -0.17 0.06 0.25 0.05 0.38 0.00 -0.12 0.05 22 1 -0.01 0.13 0.09 0.06 0.00 0.03 0.29 0.50 0.16 23 1 -0.01 -0.13 0.09 -0.06 0.00 -0.03 0.29 -0.50 0.16 31 32 33 A A A Frequencies -- 1095.3078 1111.4539 1158.1964 Red. masses -- 3.1550 1.7231 1.4831 Frc consts -- 2.2301 1.2541 1.1721 IR Inten -- 0.6398 0.6254 6.9887 Atom AN X Y Z X Y Z X Y Z 1 6 -0.02 0.01 -0.01 -0.04 0.10 -0.03 0.00 0.00 0.00 2 6 -0.02 -0.01 0.02 0.04 0.00 0.06 0.00 0.00 0.00 3 6 0.04 0.00 -0.01 -0.02 0.11 -0.05 0.00 0.00 0.00 4 6 -0.04 0.00 0.01 -0.02 -0.11 -0.05 0.00 0.00 0.00 5 6 0.02 -0.01 -0.02 0.04 0.00 0.06 0.00 0.00 0.00 6 6 0.02 0.01 0.01 -0.04 -0.10 -0.03 0.00 0.00 0.00 7 1 0.01 0.01 -0.02 0.13 0.47 0.10 -0.01 -0.02 -0.01 8 1 0.04 -0.03 -0.01 0.10 0.03 0.31 0.02 0.00 0.02 9 1 -0.01 0.05 0.09 -0.01 0.16 -0.12 -0.01 0.03 -0.02 10 1 0.01 0.05 -0.09 -0.01 -0.16 -0.12 -0.01 -0.03 -0.02 11 1 -0.04 -0.03 0.01 0.10 -0.03 0.31 0.02 0.00 0.02 12 1 -0.01 0.01 0.02 0.13 -0.47 0.10 -0.01 0.02 -0.01 13 6 0.13 0.00 0.21 -0.01 0.01 0.00 0.02 0.01 0.01 14 8 -0.10 0.04 -0.10 0.01 0.00 0.00 0.02 0.01 -0.05 15 6 0.00 -0.12 0.00 -0.01 0.00 -0.01 -0.12 0.00 0.14 16 6 -0.13 0.00 -0.21 -0.01 -0.01 0.00 0.02 -0.01 0.01 17 1 0.00 0.16 0.00 -0.01 0.00 -0.01 -0.27 0.00 -0.65 18 1 0.00 0.19 0.00 -0.01 0.00 -0.01 0.61 0.00 0.29 19 8 0.10 0.04 0.10 0.01 0.00 0.00 0.02 -0.01 -0.05 20 1 0.05 -0.01 0.08 -0.03 -0.24 -0.11 0.01 0.03 0.02 21 1 -0.05 -0.01 -0.08 -0.03 0.24 -0.11 0.01 -0.03 0.02 22 1 0.58 -0.12 -0.04 0.03 0.03 0.00 0.02 0.01 0.01 23 1 -0.58 -0.12 0.04 0.03 -0.03 0.00 0.02 -0.01 0.01 34 35 36 A A A Frequencies -- 1184.5431 1184.7831 1206.1950 Red. masses -- 1.1409 1.1724 1.8403 Frc consts -- 0.9432 0.9696 1.5775 IR Inten -- 47.0190 0.0018 208.2179 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 0.02 0.01 0.02 0.03 0.02 0.00 -0.01 0.00 2 6 -0.02 0.00 -0.01 -0.04 -0.04 -0.05 -0.01 -0.01 0.00 3 6 0.01 -0.02 0.00 0.01 -0.01 0.01 0.02 0.00 0.01 4 6 0.01 0.02 0.00 -0.01 -0.01 -0.01 0.02 0.00 0.01 5 6 -0.02 0.00 -0.01 0.04 -0.04 0.05 -0.01 0.01 0.00 6 6 0.01 -0.02 0.01 -0.02 0.03 -0.02 0.00 0.01 0.00 7 1 0.17 0.38 0.15 0.16 0.36 0.15 -0.10 -0.23 -0.09 8 1 -0.18 -0.02 -0.37 -0.29 -0.05 -0.46 0.10 0.00 0.18 9 1 0.06 -0.28 0.19 0.01 -0.06 0.04 0.02 -0.01 0.02 10 1 0.06 0.28 0.19 -0.01 -0.06 -0.04 0.02 0.01 0.02 11 1 -0.18 0.02 -0.37 0.29 -0.05 0.46 0.10 0.00 0.18 12 1 0.17 -0.38 0.15 -0.16 0.36 -0.15 -0.10 0.23 -0.09 13 6 -0.03 -0.01 -0.01 0.00 0.00 0.00 -0.06 -0.05 -0.05 14 8 0.03 0.00 0.02 0.00 0.00 0.00 0.10 -0.02 0.08 15 6 -0.04 0.00 -0.01 0.00 0.00 0.00 -0.09 0.00 -0.06 16 6 -0.03 0.01 -0.01 0.00 0.00 0.00 -0.06 0.05 -0.05 17 1 -0.04 0.00 -0.06 0.00 0.02 0.00 -0.09 0.00 -0.09 18 1 0.05 0.00 0.01 0.00 -0.02 0.00 0.03 0.00 -0.03 19 8 0.03 0.00 0.02 0.00 0.00 0.00 0.10 0.02 0.08 20 1 -0.02 -0.03 -0.05 -0.01 -0.10 -0.05 -0.07 -0.27 -0.20 21 1 -0.02 0.03 -0.05 0.01 -0.10 0.05 -0.07 0.27 -0.20 22 1 0.00 -0.03 -0.05 0.00 0.00 0.00 -0.31 -0.31 -0.18 23 1 0.00 0.03 -0.05 0.00 0.00 0.01 -0.31 0.31 -0.18 37 38 39 A A A Frequencies -- 1208.1323 1236.3044 1298.8961 Red. masses -- 1.0528 1.1806 1.0918 Frc consts -- 0.9054 1.0631 1.0852 IR Inten -- 0.0166 22.3018 3.1959 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.01 2 6 0.00 0.00 0.00 0.04 0.01 -0.02 0.02 0.00 -0.01 3 6 0.00 0.00 0.00 -0.04 0.00 0.00 0.05 0.01 -0.02 4 6 0.00 0.00 0.00 -0.04 0.00 0.00 -0.05 0.01 0.02 5 6 0.00 0.00 0.00 0.04 -0.01 -0.02 -0.02 0.00 0.01 6 6 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 7 1 0.00 -0.01 0.00 0.05 0.14 0.05 -0.02 -0.02 0.00 8 1 0.01 0.00 0.01 -0.10 0.02 -0.03 0.01 0.01 0.04 9 1 0.00 -0.01 0.00 -0.06 0.22 -0.21 -0.07 0.40 -0.14 10 1 0.00 -0.01 0.00 -0.06 -0.22 -0.21 0.07 0.40 0.14 11 1 -0.01 0.00 -0.01 -0.10 -0.02 -0.03 -0.01 0.01 -0.04 12 1 0.00 -0.01 0.00 0.05 -0.14 0.05 0.02 -0.02 0.00 13 6 0.00 0.00 -0.01 -0.01 -0.01 -0.03 -0.01 -0.01 -0.01 14 8 0.02 0.01 -0.02 0.03 -0.01 0.03 0.00 0.00 0.00 15 6 0.00 -0.03 0.00 -0.02 0.00 -0.02 0.00 0.00 0.00 16 6 0.00 0.00 0.01 -0.01 0.01 -0.03 0.01 -0.01 0.01 17 1 0.00 0.71 0.00 -0.02 0.00 -0.02 0.00 0.00 0.00 18 1 0.00 -0.70 0.00 -0.02 0.00 -0.02 0.00 -0.03 0.00 19 8 -0.02 0.01 0.02 0.03 0.01 0.03 0.00 0.00 0.00 20 1 0.00 0.01 0.00 0.10 0.41 0.33 -0.04 -0.51 -0.21 21 1 0.00 0.01 0.00 0.10 -0.41 0.33 0.04 -0.51 0.21 22 1 -0.02 -0.03 -0.02 -0.21 -0.15 -0.07 0.03 0.05 0.02 23 1 0.02 -0.03 0.02 -0.21 0.15 -0.07 -0.03 0.05 -0.02 40 41 42 A A A Frequencies -- 1307.2852 1318.7111 1371.3556 Red. masses -- 1.2656 1.9468 1.3132 Frc consts -- 1.2743 1.9947 1.4551 IR Inten -- 0.0002 6.0246 0.8590 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.05 0.05 0.05 -0.02 -0.04 -0.02 2 6 0.00 0.00 0.00 -0.05 0.02 -0.10 -0.02 -0.01 -0.03 3 6 0.00 0.00 -0.01 0.01 -0.12 0.08 -0.02 0.08 -0.06 4 6 0.00 0.00 0.01 0.01 0.12 0.08 0.02 0.08 0.06 5 6 0.00 0.00 0.00 -0.05 -0.02 -0.10 0.02 -0.01 0.03 6 6 0.00 0.00 0.00 0.05 -0.05 0.05 0.02 -0.04 0.02 7 1 -0.01 -0.01 0.00 0.09 0.14 0.09 0.11 0.24 0.09 8 1 0.00 0.00 0.00 0.02 0.02 -0.02 0.17 -0.01 0.28 9 1 -0.01 0.04 -0.01 -0.09 0.42 -0.34 0.06 -0.36 0.27 10 1 0.01 0.04 0.01 -0.09 -0.42 -0.34 -0.06 -0.36 -0.27 11 1 0.00 0.00 0.00 0.02 -0.02 -0.02 -0.17 -0.01 -0.28 12 1 0.01 -0.01 0.00 0.09 -0.14 0.09 -0.11 0.24 -0.09 13 6 0.06 0.06 0.05 -0.02 -0.03 0.01 0.00 0.00 0.00 14 8 0.01 -0.03 0.03 0.00 0.01 0.00 0.00 0.00 0.00 15 6 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 6 -0.06 0.06 -0.05 -0.02 0.03 0.01 0.00 0.00 0.00 17 1 0.00 0.25 0.00 -0.01 0.00 -0.03 0.00 -0.03 0.00 18 1 0.00 0.28 0.00 -0.01 0.00 0.00 0.00 -0.02 0.00 19 8 -0.01 -0.03 -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 20 1 -0.01 -0.05 -0.03 -0.07 -0.23 -0.17 -0.08 -0.24 -0.18 21 1 0.01 -0.05 0.03 -0.07 0.23 -0.17 0.08 -0.24 0.18 22 1 -0.38 -0.46 -0.23 0.16 0.08 0.04 0.00 0.00 0.00 23 1 0.38 -0.46 0.23 0.16 -0.08 0.04 0.00 0.00 0.00 43 44 45 A A A Frequencies -- 1403.4385 1453.8211 1464.5508 Red. masses -- 1.5892 2.5662 1.3329 Frc consts -- 1.8442 3.1957 1.6844 IR Inten -- 2.7746 81.0465 4.2217 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 0.06 0.00 -0.03 -0.06 -0.03 0.00 0.00 0.00 2 6 0.04 -0.04 0.09 0.02 0.05 0.08 0.00 0.00 0.00 3 6 -0.03 0.05 -0.09 0.01 -0.07 0.00 0.00 0.01 0.00 4 6 0.03 0.05 0.09 0.01 0.07 0.00 0.00 0.01 0.00 5 6 -0.04 -0.04 -0.09 0.02 -0.05 0.08 0.00 0.00 0.00 6 6 -0.01 0.06 0.00 -0.03 0.06 -0.03 0.00 0.00 0.00 7 1 -0.20 -0.39 -0.16 0.05 0.07 0.00 0.00 -0.01 -0.01 8 1 -0.21 -0.05 -0.30 -0.04 0.03 -0.27 -0.01 0.00 0.00 9 1 0.01 -0.24 0.16 -0.07 0.20 -0.11 0.02 -0.05 0.00 10 1 -0.01 -0.24 -0.16 -0.07 -0.20 -0.11 -0.02 -0.05 0.00 11 1 0.21 -0.05 0.30 -0.04 -0.03 -0.27 0.01 0.00 0.00 12 1 0.20 -0.39 0.16 0.05 -0.07 0.00 0.00 -0.01 0.01 13 6 0.00 0.00 0.00 0.07 0.21 0.01 -0.04 -0.03 -0.03 14 8 0.00 0.00 0.00 -0.02 -0.03 0.00 0.04 0.02 0.03 15 6 0.00 0.01 0.00 0.02 0.00 0.02 0.00 -0.12 0.00 16 6 0.00 0.00 0.00 0.07 -0.21 0.01 0.04 -0.03 0.03 17 1 0.00 -0.04 0.00 0.02 0.00 -0.01 0.00 0.64 0.00 18 1 0.00 -0.04 0.00 -0.02 0.00 0.01 0.00 0.70 0.00 19 8 0.00 0.00 0.00 -0.02 0.03 0.00 -0.04 0.02 -0.03 20 1 -0.07 -0.16 -0.11 -0.02 -0.24 -0.17 0.02 -0.02 0.01 21 1 0.07 -0.16 0.11 -0.02 0.24 -0.17 -0.02 -0.02 -0.01 22 1 0.01 0.00 -0.01 -0.39 -0.15 -0.17 0.10 0.14 0.05 23 1 -0.01 0.00 0.01 -0.39 0.15 -0.17 -0.10 0.14 -0.05 46 47 48 A A A Frequencies -- 1482.8107 1521.1469 1540.2824 Red. masses -- 1.9114 1.1015 1.2956 Frc consts -- 2.4761 1.5017 1.8111 IR Inten -- 17.0272 1.3330 6.2111 Atom AN X Y Z X Y Z X Y Z 1 6 -0.02 0.11 -0.03 -0.02 -0.01 -0.02 0.02 0.06 0.02 2 6 0.09 0.00 0.12 0.01 0.01 0.01 -0.02 -0.02 -0.02 3 6 -0.01 -0.03 -0.01 -0.01 -0.04 -0.04 0.01 0.04 0.05 4 6 -0.01 0.03 -0.01 0.01 -0.04 0.04 0.01 -0.04 0.05 5 6 0.09 0.00 0.12 -0.01 0.01 -0.01 -0.02 0.02 -0.02 6 6 -0.02 -0.11 -0.03 0.02 -0.01 0.02 0.02 -0.06 0.02 7 1 -0.20 -0.23 -0.18 0.02 0.06 0.01 -0.03 -0.05 -0.02 8 1 -0.30 0.00 -0.41 -0.02 0.01 -0.02 0.00 -0.02 0.03 9 1 -0.01 0.09 -0.17 -0.23 0.26 0.37 0.23 -0.26 -0.34 10 1 -0.01 -0.09 -0.17 0.23 0.26 -0.37 0.23 0.26 -0.34 11 1 -0.30 0.00 -0.41 0.02 0.01 0.02 0.00 0.02 0.03 12 1 -0.20 0.23 -0.18 -0.02 0.06 -0.01 -0.03 0.05 -0.02 13 6 -0.01 -0.07 0.00 0.00 0.00 0.00 0.01 0.06 0.01 14 8 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 15 6 -0.01 0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 16 6 -0.01 0.07 0.00 0.00 0.00 0.00 0.01 -0.06 0.01 17 1 0.00 0.00 0.01 0.00 0.03 0.00 0.01 0.00 0.08 18 1 0.01 0.00 0.00 0.00 0.02 0.00 0.09 0.00 0.02 19 8 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 20 1 -0.06 -0.05 -0.10 -0.36 0.25 -0.21 -0.35 0.26 -0.18 21 1 -0.06 0.05 -0.10 0.36 0.25 0.21 -0.35 -0.26 -0.18 22 1 0.11 0.04 0.06 0.01 0.01 0.00 -0.06 -0.03 -0.05 23 1 0.11 -0.04 0.06 -0.01 0.01 0.00 -0.06 0.03 -0.05 49 50 51 A A A Frequencies -- 1559.5841 1583.0466 1601.7105 Red. masses -- 2.9907 1.0960 3.6474 Frc consts -- 4.2859 1.6183 5.5132 IR Inten -- 8.0772 7.1230 1.9659 Atom AN X Y Z X Y Z X Y Z 1 6 0.07 0.22 0.05 0.00 0.00 0.00 0.16 0.12 0.16 2 6 -0.05 -0.08 -0.06 0.00 0.00 0.00 -0.14 -0.08 -0.17 3 6 -0.01 0.01 -0.03 0.00 -0.01 0.00 0.02 0.00 0.03 4 6 -0.01 -0.01 -0.03 0.00 0.01 0.00 -0.02 0.00 -0.03 5 6 -0.05 0.08 -0.06 0.00 0.00 0.00 0.14 -0.08 0.17 6 6 0.07 -0.22 0.05 0.00 0.00 0.00 -0.16 0.12 -0.16 7 1 -0.15 -0.21 -0.10 0.00 0.00 0.00 -0.09 -0.45 -0.04 8 1 -0.06 -0.09 -0.02 0.00 0.00 0.00 0.14 -0.10 0.25 9 1 -0.14 0.07 0.37 -0.03 0.04 0.03 -0.04 0.01 0.23 10 1 -0.14 -0.07 0.37 -0.03 -0.04 0.03 0.04 0.01 -0.23 11 1 -0.06 0.09 -0.02 0.00 0.00 0.00 -0.14 -0.10 -0.25 12 1 -0.15 0.21 -0.10 0.00 0.00 0.00 0.09 -0.45 0.04 13 6 0.00 0.13 0.01 0.01 0.00 0.00 -0.01 0.00 0.00 14 8 0.00 -0.01 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 15 6 0.01 0.00 0.01 -0.06 0.00 -0.06 0.00 0.00 0.00 16 6 0.00 -0.13 0.01 0.01 0.00 0.00 0.01 0.00 0.00 17 1 0.00 0.00 -0.04 0.09 0.00 0.68 0.00 0.00 0.00 18 1 -0.03 0.00 0.00 0.70 0.00 0.12 0.00 0.00 0.00 19 8 0.00 0.01 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 20 1 0.28 -0.09 0.22 0.04 -0.03 0.03 -0.11 0.07 -0.09 21 1 0.28 0.08 0.22 0.04 0.03 0.03 0.11 0.06 0.09 22 1 -0.09 -0.06 -0.14 0.00 0.00 0.01 0.02 0.00 -0.01 23 1 -0.09 0.06 -0.14 0.00 0.00 0.01 -0.02 0.00 0.01 52 53 54 A A A Frequencies -- 3017.4203 3020.9054 3036.3430 Red. masses -- 1.0737 1.0553 1.0695 Frc consts -- 5.7595 5.6744 5.8096 IR Inten -- 20.5771 106.6177 72.4740 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 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 6 0.03 -0.02 -0.04 0.00 0.00 0.00 -0.02 0.02 0.04 4 6 -0.03 -0.02 0.04 0.00 0.00 0.00 -0.02 -0.02 0.04 5 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 1 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.02 0.00 9 1 0.12 0.04 0.02 -0.04 -0.01 -0.01 -0.19 -0.07 -0.04 10 1 -0.12 0.04 -0.02 -0.04 0.01 -0.01 -0.19 0.07 -0.04 11 1 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 12 1 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 0.00 0.00 0.00 0.00 0.00 0.00 14 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 6 0.00 0.00 0.00 -0.03 0.00 -0.06 0.00 0.00 0.00 16 6 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 0.52 0.00 -0.11 -0.01 0.00 0.00 18 1 0.00 0.00 0.00 -0.19 0.00 0.82 0.01 0.00 -0.05 19 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 1 0.46 0.22 -0.47 0.02 0.01 -0.01 0.45 0.21 -0.45 21 1 -0.46 0.22 0.47 0.02 -0.01 -0.01 0.45 -0.21 -0.45 22 1 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 23 1 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 55 56 57 A A A Frequencies -- 3061.2221 3069.1135 3087.3814 Red. masses -- 1.1153 1.0900 1.0936 Frc consts -- 6.1577 6.0495 6.1418 IR Inten -- 86.5403 7.6580 35.9168 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 6 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 -0.06 -0.02 -0.01 -0.06 -0.02 0.00 4 6 0.00 0.00 0.00 0.06 -0.02 0.01 -0.06 0.02 0.00 5 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 1 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 -0.03 0.00 9 1 0.06 0.02 0.02 0.62 0.25 0.18 0.60 0.24 0.18 10 1 0.06 -0.02 0.02 -0.62 0.25 -0.18 0.60 -0.24 0.18 11 1 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 0.03 0.00 12 1 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 0.00 0.00 0.00 0.00 0.00 0.00 14 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 6 -0.08 0.00 0.06 0.00 0.00 0.00 0.01 0.00 -0.01 16 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 1 0.84 0.00 -0.15 0.00 0.00 0.00 -0.05 0.00 0.01 18 1 0.09 0.00 -0.50 0.00 0.00 0.00 -0.02 0.00 0.09 19 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 1 0.00 0.00 0.00 -0.07 -0.04 0.08 0.12 0.07 -0.14 21 1 0.00 0.00 0.00 0.07 -0.04 -0.08 0.12 -0.07 -0.14 22 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 59 60 A A A Frequencies -- 3153.4905 3159.2520 3171.8850 Red. masses -- 1.0839 1.0873 1.0922 Frc consts -- 6.3509 6.3937 6.4743 IR Inten -- 4.9192 5.7974 49.5601 Atom AN X Y Z X Y Z X Y Z 1 6 -0.02 0.02 -0.03 -0.01 0.01 -0.02 0.02 -0.02 0.03 2 6 -0.01 -0.04 0.00 -0.01 -0.05 0.00 -0.01 -0.04 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 6 0.01 -0.04 0.00 -0.01 0.05 0.00 0.01 -0.04 0.00 6 6 0.02 0.02 0.03 -0.01 -0.01 -0.02 -0.02 -0.02 -0.03 7 1 0.25 -0.25 0.35 0.15 -0.15 0.21 -0.25 0.25 -0.36 8 1 0.05 0.50 -0.04 0.07 0.63 -0.06 0.05 0.49 -0.04 9 1 0.02 0.01 0.01 0.03 0.01 0.01 0.01 0.00 0.01 10 1 -0.02 0.01 -0.01 0.03 -0.01 0.01 -0.01 0.00 -0.01 11 1 -0.05 0.50 0.04 0.07 -0.63 -0.06 -0.05 0.49 0.04 12 1 -0.25 -0.25 -0.35 0.15 0.15 0.21 0.25 0.25 0.36 13 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 6 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 1 0.00 0.00 0.00 -0.01 0.00 0.01 0.01 0.00 -0.01 21 1 0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 0.00 0.01 22 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 62 63 A A A Frequencies -- 3185.8088 3290.8987 3307.6373 Red. masses -- 1.0972 1.0899 1.1012 Frc consts -- 6.5611 6.9544 7.0985 IR Inten -- 30.7683 0.0858 1.5879 Atom AN X Y Z X Y Z X Y Z 1 6 -0.03 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 2 6 0.01 0.03 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 6 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 6 -0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 7 1 0.32 -0.32 0.45 0.00 0.00 0.00 0.00 0.00 0.00 8 1 -0.03 -0.30 0.02 0.00 0.00 0.00 0.00 0.00 0.00 9 1 -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 10 1 -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 11 1 -0.03 0.30 0.02 0.00 0.00 0.00 0.00 0.00 0.00 12 1 0.32 0.32 0.45 0.00 0.00 0.00 0.00 0.00 0.00 13 6 0.00 0.00 0.00 -0.02 0.04 -0.05 0.02 -0.04 0.05 14 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 6 0.00 0.00 0.00 0.02 0.04 0.05 0.02 0.04 0.05 17 1 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 18 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 19 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 1 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 21 1 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 22 1 0.00 0.00 0.00 0.18 -0.43 0.53 -0.18 0.43 -0.53 23 1 0.00 0.00 0.00 -0.18 -0.43 -0.53 -0.18 -0.43 -0.53 ------------------- - Thermochemistry - ------------------- Temperature 298.150 Kelvin. Pressure 1.00000 Atm. Atom 1 has atomic number 6 and mass 12.00000 Atom 2 has atomic number 6 and mass 12.00000 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 6 and mass 12.00000 Atom 6 has atomic number 6 and mass 12.00000 Atom 7 has atomic number 1 and mass 1.00783 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 1 and mass 1.00783 Atom 11 has atomic number 1 and mass 1.00783 Atom 12 has atomic number 1 and mass 1.00783 Atom 13 has atomic number 6 and mass 12.00000 Atom 14 has atomic number 8 and mass 15.99491 Atom 15 has atomic number 6 and mass 12.00000 Atom 16 has atomic number 6 and mass 12.00000 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 8 and mass 15.99491 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 -- 944.861661782.018101902.34699 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 509190.0 (Joules/Mol) 121.69933 (Kcal/Mol) Warning -- explicit consideration of 12 degrees of freedom as vibrations may cause significant error Vibrational temperatures: 141.76 177.48 194.44 249.00 287.90 (Kelvin) 351.43 400.52 531.86 730.64 776.19 853.07 856.99 1017.78 1072.97 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 1666.38 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 4404.41 4415.76 4442.05 4537.16 4545.45 4563.63 4583.66 4734.86 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 0.429104D-73 -73.367438 -168.934768 Total V=0 0.689733D+16 15.838681 36.469911 Vib (Bot) 0.908556D-87 -87.041648 -200.420802 Vib (Bot) 1 0.208349D+01 0.318792 0.734045 Vib (Bot) 2 0.165535D+01 0.218890 0.504012 Vib (Bot) 3 0.150653D+01 0.177979 0.409812 Vib (Bot) 4 0.116328D+01 0.065686 0.151248 Vib (Bot) 5 0.996433D+00 -0.001552 -0.003573 Vib (Bot) 6 0.801193D+00 -0.096263 -0.221654 Vib (Bot) 7 0.691256D+00 -0.160361 -0.369245 Vib (Bot) 8 0.492613D+00 -0.307494 -0.708031 Vib (Bot) 9 0.321388D+00 -0.492970 -1.135106 Vib (Bot) 10 0.293827D+00 -0.531909 -1.224765 Vib (Bot) 11 0.253674D+00 -0.595725 -1.371706 Vib (Bot) 12 0.251811D+00 -0.598925 -1.379076 Vib (V=0) 0.146040D+03 2.164470 4.983877 Vib (V=0) 1 0.264265D+01 0.422039 0.971781 Vib (V=0) 2 0.222921D+01 0.348152 0.801649 Vib (V=0) 3 0.208734D+01 0.319593 0.735890 Vib (V=0) 4 0.176619D+01 0.247037 0.568823 Vib (V=0) 5 0.161485D+01 0.208131 0.479239 Vib (V=0) 6 0.144441D+01 0.159690 0.367701 Vib (V=0) 7 0.135313D+01 0.131340 0.302422 Vib (V=0) 8 0.120190D+01 0.079869 0.183906 Vib (V=0) 9 0.109438D+01 0.039169 0.090190 Vib (V=0) 10 0.107994D+01 0.033401 0.076908 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 5.806631 13.370263 ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000003620 0.000000692 -0.000001255 2 6 -0.000004362 0.000000067 0.000000680 3 6 0.000000679 0.000000201 0.000004169 4 6 -0.000000602 0.000001036 -0.000001696 5 6 0.000003373 -0.000004215 -0.000002001 6 6 -0.000003946 0.000001608 0.000005231 7 1 -0.000000461 0.000000264 -0.000000401 8 1 0.000001421 -0.000000425 -0.000001336 9 1 0.000000754 -0.000001000 -0.000002295 10 1 -0.000000124 0.000000814 0.000002649 11 1 -0.000001508 -0.000000385 -0.000001497 12 1 -0.000000893 -0.000000001 -0.000000560 13 6 0.000009148 -0.000003069 0.000000065 14 8 -0.000002339 -0.000002598 -0.000002180 15 6 -0.000003270 0.000001299 0.000000765 16 6 -0.000002283 0.000001869 -0.000002789 17 1 0.000000133 0.000000616 -0.000000260 18 1 -0.000000317 0.000000549 -0.000001488 19 8 -0.000000720 0.000003974 0.000001847 20 1 0.000001571 0.000000589 -0.000000040 21 1 -0.000001478 -0.000000332 0.000001373 22 1 0.000000341 -0.000000414 -0.000000356 23 1 0.000001260 -0.000001141 0.000001375 ------------------------------------------------------------------- Cartesian Forces: Max 0.000009148 RMS 0.000002203 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000005147 RMS 0.000000911 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 0.35567 0.36577 0.38193 0.38370 Eigenvalues --- 0.41332 0.41741 0.43946 Eigenvectors required to have negative eigenvalues: R6 R15 D82 D80 D74 1 -0.56541 -0.56534 -0.16959 0.16958 0.14496 D98 D81 D77 R20 D1 1 -0.14494 -0.11839 0.11836 0.11436 -0.11054 Angle between quadratic step and forces= 75.01 degrees. Linear search not attempted -- option 19 set. Iteration 1 RMS(Cart)= 0.00009205 RMS(Int)= 0.00000001 Iteration 2 RMS(Cart)= 0.00000001 RMS(Int)= 0.00000001 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.62030 0.00000 0.00000 0.00000 0.00000 2.62029 R2 2.66027 0.00000 0.00000 0.00000 0.00000 2.66027 R3 2.05659 0.00000 0.00000 0.00000 0.00000 2.05659 R4 2.86317 0.00000 0.00000 0.00000 0.00000 2.86316 R5 2.05804 0.00000 0.00000 0.00000 0.00000 2.05804 R6 4.37568 0.00000 0.00000 0.00021 0.00021 4.37589 R7 2.94453 0.00000 0.00000 0.00001 0.00001 2.94454 R8 2.07029 0.00000 0.00000 0.00000 0.00000 2.07029 R9 2.07660 0.00000 0.00000 0.00000 0.00000 2.07660 R10 2.86316 0.00000 0.00000 0.00000 0.00000 2.86316 R11 2.07028 0.00000 0.00000 0.00000 0.00000 2.07028 R12 2.07659 0.00000 0.00000 0.00000 0.00000 2.07660 R13 2.62031 -0.00001 0.00000 -0.00001 -0.00001 2.62029 R14 2.05805 0.00000 0.00000 0.00000 0.00000 2.05804 R15 4.37608 0.00000 0.00000 -0.00018 -0.00018 4.37590 R16 2.05659 0.00000 0.00000 0.00000 0.00000 2.05659 R17 4.44126 0.00000 0.00000 -0.00010 -0.00010 4.44116 R18 4.44079 0.00000 0.00000 0.00037 0.00037 4.44116 R19 2.63220 0.00000 0.00000 0.00001 0.00001 2.63220 R20 2.62525 0.00000 0.00000 0.00000 0.00000 2.62525 R21 2.03575 0.00000 0.00000 0.00000 0.00000 2.03574 R22 2.69178 0.00000 0.00000 0.00002 0.00002 2.69179 R23 2.07491 0.00000 0.00000 0.00000 0.00000 2.07491 R24 2.07618 0.00000 0.00000 0.00000 0.00000 2.07618 R25 2.69180 0.00000 0.00000 0.00000 0.00000 2.69179 R26 2.63219 0.00000 0.00000 0.00001 0.00001 2.63220 R27 2.03575 0.00000 0.00000 0.00000 0.00000 2.03574 A1 2.06740 0.00000 0.00000 0.00001 0.00001 2.06741 A2 2.09939 0.00000 0.00000 -0.00001 -0.00001 2.09938 A3 2.09054 0.00000 0.00000 -0.00001 -0.00001 2.09053 A4 2.09873 0.00000 0.00000 0.00004 0.00004 2.09878 A5 2.08083 0.00000 0.00000 -0.00002 -0.00002 2.08081 A6 1.72739 0.00000 0.00000 -0.00005 -0.00005 1.72734 A7 2.01642 0.00000 0.00000 0.00002 0.00002 2.01644 A8 1.63585 0.00000 0.00000 -0.00007 -0.00007 1.63579 A9 1.73921 0.00000 0.00000 0.00003 0.00003 1.73924 A10 1.96753 0.00000 0.00000 -0.00001 -0.00001 1.96752 A11 1.91103 0.00000 0.00000 -0.00004 -0.00004 1.91100 A12 1.87943 0.00000 0.00000 0.00004 0.00004 1.87947 A13 1.94891 0.00000 0.00000 0.00002 0.00002 1.94893 A14 1.90728 0.00000 0.00000 0.00001 0.00001 1.90728 A15 1.84428 0.00000 0.00000 -0.00001 -0.00001 1.84427 A16 1.96751 0.00000 0.00000 0.00001 0.00001 1.96752 A17 1.94893 0.00000 0.00000 0.00000 0.00000 1.94893 A18 1.90729 0.00000 0.00000 -0.00001 -0.00001 1.90728 A19 1.91096 0.00000 0.00000 0.00004 0.00004 1.91100 A20 1.87951 0.00000 0.00000 -0.00004 -0.00004 1.87947 A21 1.84427 0.00000 0.00000 0.00000 0.00000 1.84427 A22 2.09881 0.00000 0.00000 -0.00003 -0.00003 2.09878 A23 2.01643 0.00000 0.00000 0.00001 0.00001 2.01644 A24 1.63566 0.00000 0.00000 0.00012 0.00012 1.63578 A25 2.08081 0.00000 0.00000 0.00000 0.00000 2.08081 A26 1.72733 0.00000 0.00000 0.00000 0.00000 1.72733 A27 1.73932 0.00000 0.00000 -0.00008 -0.00008 1.73924 A28 2.06742 0.00000 0.00000 -0.00001 -0.00001 2.06741 A29 2.09054 0.00000 0.00000 -0.00001 -0.00001 2.09053 A30 2.09938 0.00000 0.00000 0.00000 0.00000 2.09938 A31 2.15558 0.00000 0.00000 0.00010 0.00010 2.15568 A32 2.15582 0.00000 0.00000 -0.00014 -0.00014 2.15568 A33 1.86551 0.00000 0.00000 0.00006 0.00006 1.86557 A34 1.86432 0.00000 0.00000 -0.00002 -0.00002 1.86430 A35 1.54419 0.00000 0.00000 -0.00005 -0.00005 1.54414 A36 1.90229 0.00000 0.00000 -0.00001 -0.00001 1.90228 A37 1.99452 0.00000 0.00000 0.00000 0.00000 1.99452 A38 2.21851 0.00000 0.00000 0.00002 0.00002 2.21853 A39 1.86544 0.00000 0.00000 0.00000 0.00000 1.86544 A40 1.91615 0.00000 0.00000 0.00000 0.00000 1.91615 A41 1.91789 0.00000 0.00000 0.00000 0.00000 1.91789 A42 1.87432 0.00000 0.00000 0.00000 0.00000 1.87432 A43 1.92092 0.00000 0.00000 0.00000 0.00000 1.92092 A44 1.91615 0.00000 0.00000 0.00000 0.00000 1.91615 A45 1.91789 0.00000 0.00000 0.00000 0.00000 1.91789 A46 1.86428 0.00000 0.00000 0.00002 0.00002 1.86429 A47 1.86556 0.00000 0.00000 0.00001 0.00001 1.86557 A48 1.54415 0.00000 0.00000 -0.00002 -0.00002 1.54413 A49 1.90227 0.00000 0.00000 0.00001 0.00001 1.90228 A50 2.21855 0.00000 0.00000 -0.00001 -0.00001 2.21853 A51 1.99453 0.00000 0.00000 -0.00001 -0.00001 1.99452 A52 1.05556 0.00000 0.00000 -0.00003 -0.00003 1.05553 A53 1.82401 0.00000 0.00000 -0.00003 -0.00003 1.82398 A54 1.82386 0.00000 0.00000 0.00013 0.00013 1.82398 A55 1.86545 0.00000 0.00000 -0.00001 -0.00001 1.86544 D1 -0.60098 0.00000 0.00000 0.00005 0.00005 -0.60093 D2 2.99635 0.00000 0.00000 -0.00005 -0.00005 2.99630 D3 1.13888 0.00000 0.00000 -0.00005 -0.00005 1.13883 D4 2.78341 0.00000 0.00000 0.00009 0.00009 2.78350 D5 0.09755 0.00000 0.00000 -0.00001 -0.00001 0.09754 D6 -1.75991 0.00000 0.00000 -0.00001 -0.00001 -1.75993 D7 -0.00002 0.00000 0.00000 0.00002 0.00002 0.00000 D8 -2.90010 0.00000 0.00000 0.00007 0.00007 -2.90002 D9 2.90004 0.00000 0.00000 -0.00002 -0.00002 2.90002 D10 -0.00003 0.00000 0.00000 0.00003 0.00003 0.00000 D11 0.56942 0.00000 0.00000 -0.00021 -0.00021 0.56921 D12 2.75027 0.00000 0.00000 -0.00023 -0.00023 2.75004 D13 -1.53574 0.00000 0.00000 -0.00023 -0.00023 -1.53597 D14 -3.01188 0.00000 0.00000 -0.00012 -0.00012 -3.01200 D15 -0.83104 0.00000 0.00000 -0.00014 -0.00014 -0.83118 D16 1.16615 0.00000 0.00000 -0.00014 -0.00014 1.16600 D17 -1.22207 0.00000 0.00000 -0.00012 -0.00012 -1.22219 D18 0.95877 0.00000 0.00000 -0.00013 -0.00013 0.95864 D19 2.95596 0.00000 0.00000 -0.00014 -0.00014 2.95582 D20 -3.02082 0.00000 0.00000 0.00001 0.00001 -3.02080 D21 -0.98654 0.00000 0.00000 0.00002 0.00002 -0.98652 D22 1.25619 0.00000 0.00000 0.00002 0.00002 1.25621 D23 -0.90158 0.00000 0.00000 0.00003 0.00003 -0.90154 D24 1.13270 0.00000 0.00000 0.00004 0.00004 1.13274 D25 -2.90775 0.00000 0.00000 0.00004 0.00004 -2.90771 D26 1.13510 0.00000 0.00000 0.00004 0.00004 1.13514 D27 -3.11381 0.00000 0.00000 0.00005 0.00005 -3.11376 D28 -0.87107 0.00000 0.00000 0.00005 0.00005 -0.87103 D29 -0.00027 0.00000 0.00000 0.00027 0.00027 0.00000 D30 2.15967 0.00000 0.00000 0.00032 0.00032 2.15999 D31 -2.08950 0.00000 0.00000 0.00032 0.00032 -2.08919 D32 -2.16031 0.00000 0.00000 0.00031 0.00031 -2.16000 D33 -0.00037 0.00000 0.00000 0.00036 0.00036 0.00000 D34 2.03365 0.00000 0.00000 0.00036 0.00036 2.03401 D35 2.08887 0.00000 0.00000 0.00031 0.00031 2.08918 D36 -2.03438 0.00000 0.00000 0.00036 0.00036 -2.03402 D37 -0.00036 0.00000 0.00000 0.00036 0.00036 0.00000 D38 -1.77111 0.00000 0.00000 -0.00013 -0.00013 -1.77124 D39 0.42048 0.00000 0.00000 -0.00016 -0.00016 0.42032 D40 2.49239 0.00000 0.00000 -0.00015 -0.00015 2.49224 D41 -0.56900 0.00000 0.00000 -0.00021 -0.00021 -0.56920 D42 3.01217 0.00000 0.00000 -0.00017 -0.00017 3.01200 D43 1.22232 0.00000 0.00000 -0.00013 -0.00013 1.22219 D44 -2.74979 0.00000 0.00000 -0.00024 -0.00024 -2.75003 D45 0.83137 0.00000 0.00000 -0.00020 -0.00020 0.83118 D46 -0.95848 0.00000 0.00000 -0.00016 -0.00016 -0.95864 D47 1.53622 0.00000 0.00000 -0.00024 -0.00024 1.53598 D48 -1.16580 0.00000 0.00000 -0.00020 -0.00020 -1.16600 D49 -2.95565 0.00000 0.00000 -0.00016 -0.00016 -2.95581 D50 -0.42001 0.00000 0.00000 -0.00030 -0.00030 -0.42031 D51 1.77151 0.00000 0.00000 -0.00027 -0.00027 1.77124 D52 -2.49193 0.00000 0.00000 -0.00030 -0.00030 -2.49223 D53 0.60087 0.00000 0.00000 0.00005 0.00005 0.60092 D54 -2.78350 0.00000 0.00000 0.00000 0.00000 -2.78350 D55 -2.99630 0.00000 0.00000 0.00001 0.00001 -2.99630 D56 -0.09749 0.00000 0.00000 -0.00005 -0.00005 -0.09753 D57 -1.13874 0.00000 0.00000 -0.00009 -0.00009 -1.13883 D58 1.76007 0.00000 0.00000 -0.00014 -0.00014 1.75993 D59 -1.13280 0.00000 0.00000 0.00005 0.00005 -1.13274 D60 0.90146 0.00000 0.00000 0.00008 0.00008 0.90154 D61 2.90764 0.00000 0.00000 0.00007 0.00007 2.90771 D62 0.98647 0.00000 0.00000 0.00005 0.00005 0.98652 D63 3.02073 0.00000 0.00000 0.00007 0.00007 3.02080 D64 -1.25628 0.00000 0.00000 0.00007 0.00007 -1.25622 D65 3.11373 0.00000 0.00000 0.00003 0.00003 3.11376 D66 -1.13520 0.00000 0.00000 0.00006 0.00006 -1.13514 D67 0.87098 0.00000 0.00000 0.00005 0.00005 0.87103 D68 -0.45446 0.00000 0.00000 0.00003 0.00003 -0.45443 D69 1.26758 0.00000 0.00000 0.00019 0.00019 1.26777 D70 0.45426 0.00000 0.00000 0.00017 0.00017 0.45443 D71 -1.26805 0.00000 0.00000 0.00028 0.00028 -1.26777 D72 1.91004 0.00000 0.00000 -0.00004 -0.00004 1.91001 D73 -0.09889 0.00000 0.00000 -0.00004 -0.00004 -0.09893 D74 -2.69573 0.00000 0.00000 -0.00007 -0.00007 -2.69579 D75 0.00002 0.00000 0.00000 -0.00002 -0.00002 0.00000 D76 -2.00971 0.00000 0.00000 -0.00005 -0.00005 -2.00976 D77 1.76581 0.00000 0.00000 -0.00003 -0.00003 1.76578 D78 2.00972 0.00000 0.00000 0.00003 0.00003 2.00976 D79 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 D80 -2.50767 0.00000 0.00000 0.00002 0.00002 -2.50765 D81 -1.76584 0.00000 0.00000 0.00006 0.00006 -1.76579 D82 2.50761 0.00000 0.00000 0.00003 0.00003 2.50764 D83 -0.00005 0.00000 0.00000 0.00005 0.00005 0.00000 D84 2.24086 0.00000 0.00000 0.00006 0.00006 2.24092 D85 -1.92726 0.00000 0.00000 0.00006 0.00006 -1.92720 D86 0.15834 0.00000 0.00000 0.00005 0.00005 0.15839 D87 0.48232 0.00000 0.00000 0.00000 0.00000 0.48232 D88 1.57647 0.00000 0.00000 -0.00001 -0.00001 1.57646 D89 2.59452 0.00000 0.00000 0.00000 0.00000 2.59452 D90 -2.59451 0.00000 0.00000 -0.00001 -0.00001 -2.59452 D91 -1.57646 0.00000 0.00000 0.00000 0.00000 -1.57646 D92 -0.48231 0.00000 0.00000 -0.00001 -0.00001 -0.48232 D93 -0.15834 0.00000 0.00000 -0.00005 -0.00005 -0.15839 D94 -2.24087 0.00000 0.00000 -0.00005 -0.00005 -2.24092 D95 1.92725 0.00000 0.00000 -0.00005 -0.00005 1.92720 D96 -1.91000 0.00000 0.00000 -0.00001 -0.00001 -1.91001 D97 0.09890 0.00000 0.00000 0.00002 0.00002 0.09892 D98 2.69579 0.00000 0.00000 0.00001 0.00001 2.69580 Item Value Threshold Converged? Maximum Force 0.000005 0.000450 YES RMS Force 0.000001 0.000300 YES Maximum Displacement 0.000495 0.001800 YES RMS Displacement 0.000092 0.001200 YES Predicted change in Energy=-2.494871D-09 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.3866 -DE/DX = 0.0 ! ! R2 R(1,6) 1.4078 -DE/DX = 0.0 ! ! R3 R(1,7) 1.0883 -DE/DX = 0.0 ! ! R4 R(2,3) 1.5151 -DE/DX = 0.0 ! ! R5 R(2,8) 1.0891 -DE/DX = 0.0 ! ! R6 R(2,13) 2.3155 -DE/DX = 0.0 ! ! R7 R(3,4) 1.5582 -DE/DX = 0.0 ! ! R8 R(3,9) 1.0955 -DE/DX = 0.0 ! ! R9 R(3,21) 1.0989 -DE/DX = 0.0 ! ! R10 R(4,5) 1.5151 -DE/DX = 0.0 ! ! R11 R(4,10) 1.0955 -DE/DX = 0.0 ! ! R12 R(4,20) 1.0989 -DE/DX = 0.0 ! ! R13 R(5,6) 1.3866 -DE/DX = 0.0 ! ! R14 R(5,11) 1.0891 -DE/DX = 0.0 ! ! R15 R(5,16) 2.3157 -DE/DX = 0.0 ! ! R16 R(6,12) 1.0883 -DE/DX = 0.0 ! ! R17 R(9,18) 2.3502 -DE/DX = 0.0 ! ! R18 R(10,18) 2.35 -DE/DX = 0.0 ! ! R19 R(13,14) 1.3929 -DE/DX = 0.0 ! ! R20 R(13,16) 1.3892 -DE/DX = 0.0 ! ! R21 R(13,22) 1.0773 -DE/DX = 0.0 ! ! R22 R(14,15) 1.4244 -DE/DX = 0.0 ! ! R23 R(15,17) 1.098 -DE/DX = 0.0 ! ! R24 R(15,18) 1.0987 -DE/DX = 0.0 ! ! R25 R(15,19) 1.4244 -DE/DX = 0.0 ! ! R26 R(16,19) 1.3929 -DE/DX = 0.0 ! ! R27 R(16,23) 1.0773 -DE/DX = 0.0 ! ! A1 A(2,1,6) 118.4535 -DE/DX = 0.0 ! ! A2 A(2,1,7) 120.2863 -DE/DX = 0.0 ! ! A3 A(6,1,7) 119.7791 -DE/DX = 0.0 ! ! A4 A(1,2,3) 120.2486 -DE/DX = 0.0 ! ! A5 A(1,2,8) 119.2228 -DE/DX = 0.0 ! ! A6 A(1,2,13) 98.9721 -DE/DX = 0.0 ! ! A7 A(3,2,8) 115.5325 -DE/DX = 0.0 ! ! A8 A(3,2,13) 93.7275 -DE/DX = 0.0 ! ! A9 A(8,2,13) 99.6491 -DE/DX = 0.0 ! ! A10 A(2,3,4) 112.7312 -DE/DX = 0.0 ! ! A11 A(2,3,9) 109.4941 -DE/DX = 0.0 ! ! A12 A(2,3,21) 107.6833 -DE/DX = 0.0 ! ! A13 A(4,3,9) 111.6644 -DE/DX = 0.0 ! ! A14 A(4,3,21) 109.2788 -DE/DX = 0.0 ! ! A15 A(9,3,21) 105.6695 -DE/DX = 0.0 ! ! A16 A(3,4,5) 112.7299 -DE/DX = 0.0 ! ! A17 A(3,4,10) 111.6655 -DE/DX = 0.0 ! ! A18 A(3,4,20) 109.2795 -DE/DX = 0.0 ! ! A19 A(5,4,10) 109.49 -DE/DX = 0.0 ! ! A20 A(5,4,20) 107.6878 -DE/DX = 0.0 ! ! A21 A(10,4,20) 105.6688 -DE/DX = 0.0 ! ! A22 A(4,5,6) 120.2528 -DE/DX = 0.0 ! ! A23 A(4,5,11) 115.533 -DE/DX = 0.0 ! ! A24 A(4,5,16) 93.7165 -DE/DX = 0.0 ! ! A25 A(6,5,11) 119.2216 -DE/DX = 0.0 ! ! A26 A(6,5,16) 98.9688 -DE/DX = 0.0 ! ! A27 A(11,5,16) 99.6558 -DE/DX = 0.0 ! ! A28 A(1,6,5) 118.4544 -DE/DX = 0.0 ! ! A29 A(1,6,12) 119.7791 -DE/DX = 0.0 ! ! A30 A(5,6,12) 120.2856 -DE/DX = 0.0 ! ! A31 A(3,9,18) 123.5054 -DE/DX = 0.0 ! ! A32 A(4,10,18) 123.5194 -DE/DX = 0.0 ! ! A33 A(2,13,14) 106.886 -DE/DX = 0.0 ! ! A34 A(2,13,16) 106.8175 -DE/DX = 0.0 ! ! A35 A(2,13,22) 88.4756 -DE/DX = 0.0 ! ! A36 A(14,13,16) 108.993 -DE/DX = 0.0 ! ! A37 A(14,13,22) 114.2775 -DE/DX = 0.0 ! ! A38 A(16,13,22) 127.1113 -DE/DX = 0.0 ! ! A39 A(13,14,15) 106.8821 -DE/DX = 0.0 ! ! A40 A(14,15,17) 109.7874 -DE/DX = 0.0 ! ! A41 A(14,15,18) 109.8869 -DE/DX = 0.0 ! ! A42 A(14,15,19) 107.3905 -DE/DX = 0.0 ! ! A43 A(17,15,18) 110.0604 -DE/DX = 0.0 ! ! A44 A(17,15,19) 109.7872 -DE/DX = 0.0 ! ! A45 A(18,15,19) 109.887 -DE/DX = 0.0 ! ! A46 A(5,16,13) 106.8151 -DE/DX = 0.0 ! ! A47 A(5,16,19) 106.8889 -DE/DX = 0.0 ! ! A48 A(5,16,23) 88.4732 -DE/DX = 0.0 ! ! A49 A(13,16,19) 108.9919 -DE/DX = 0.0 ! ! A50 A(13,16,23) 127.1134 -DE/DX = 0.0 ! ! A51 A(19,16,23) 114.2779 -DE/DX = 0.0 ! ! A52 A(9,18,10) 60.479 -DE/DX = 0.0 ! ! A53 A(9,18,15) 104.5083 -DE/DX = 0.0 ! ! A54 A(10,18,15) 104.4992 -DE/DX = 0.0 ! ! A55 A(15,19,16) 106.8825 -DE/DX = 0.0 ! ! D1 D(6,1,2,3) -34.4335 -DE/DX = 0.0 ! ! D2 D(6,1,2,8) 171.6781 -DE/DX = 0.0 ! ! D3 D(6,1,2,13) 65.2532 -DE/DX = 0.0 ! ! D4 D(7,1,2,3) 159.4776 -DE/DX = 0.0 ! ! D5 D(7,1,2,8) 5.5893 -DE/DX = 0.0 ! ! D6 D(7,1,2,13) -100.8356 -DE/DX = 0.0 ! ! D7 D(2,1,6,5) -0.0011 -DE/DX = 0.0 ! ! D8 D(2,1,6,12) -166.1633 -DE/DX = 0.0 ! ! D9 D(7,1,6,5) 166.1601 -DE/DX = 0.0 ! ! D10 D(7,1,6,12) -0.002 -DE/DX = 0.0 ! ! D11 D(1,2,3,4) 32.6255 -DE/DX = 0.0 ! ! D12 D(1,2,3,9) 157.5786 -DE/DX = 0.0 ! ! D13 D(1,2,3,21) -87.9912 -DE/DX = 0.0 ! ! D14 D(8,2,3,4) -172.5681 -DE/DX = 0.0 ! ! D15 D(8,2,3,9) -47.6149 -DE/DX = 0.0 ! ! D16 D(8,2,3,21) 66.8152 -DE/DX = 0.0 ! ! D17 D(13,2,3,4) -70.0195 -DE/DX = 0.0 ! ! D18 D(13,2,3,9) 54.9337 -DE/DX = 0.0 ! ! D19 D(13,2,3,21) 169.3639 -DE/DX = 0.0 ! ! D20 D(1,2,13,14) -173.08 -DE/DX = 0.0 ! ! D21 D(1,2,13,16) -56.5246 -DE/DX = 0.0 ! ! D22 D(1,2,13,22) 71.9745 -DE/DX = 0.0 ! ! D23 D(3,2,13,14) -51.6565 -DE/DX = 0.0 ! ! D24 D(3,2,13,16) 64.8989 -DE/DX = 0.0 ! ! D25 D(3,2,13,22) -166.602 -DE/DX = 0.0 ! ! D26 D(8,2,13,14) 65.0367 -DE/DX = 0.0 ! ! D27 D(8,2,13,16) -178.4079 -DE/DX = 0.0 ! ! D28 D(8,2,13,22) -49.9088 -DE/DX = 0.0 ! ! D29 D(2,3,4,5) -0.0155 -DE/DX = 0.0 ! ! D30 D(2,3,4,10) 123.74 -DE/DX = 0.0 ! ! D31 D(2,3,4,20) -119.7197 -DE/DX = 0.0 ! ! D32 D(9,3,4,5) -123.7766 -DE/DX = 0.0 ! ! D33 D(9,3,4,10) -0.0211 -DE/DX = 0.0 ! ! D34 D(9,3,4,20) 116.5193 -DE/DX = 0.0 ! ! D35 D(21,3,4,5) 119.6833 -DE/DX = 0.0 ! ! D36 D(21,3,4,10) -116.5612 -DE/DX = 0.0 ! ! D37 D(21,3,4,20) -0.0209 -DE/DX = 0.0 ! ! D38 D(2,3,9,18) -101.4769 -DE/DX = 0.0 ! ! D39 D(4,3,9,18) 24.0919 -DE/DX = 0.0 ! ! D40 D(21,3,9,18) 142.8035 -DE/DX = 0.0 ! ! D41 D(3,4,5,6) -32.6011 -DE/DX = 0.0 ! ! D42 D(3,4,5,11) 172.5846 -DE/DX = 0.0 ! ! D43 D(3,4,5,16) 70.0339 -DE/DX = 0.0 ! ! D44 D(10,4,5,6) -157.5516 -DE/DX = 0.0 ! ! D45 D(10,4,5,11) 47.6341 -DE/DX = 0.0 ! ! D46 D(10,4,5,16) -54.9166 -DE/DX = 0.0 ! ! D47 D(20,4,5,6) 88.0187 -DE/DX = 0.0 ! ! D48 D(20,4,5,11) -66.7956 -DE/DX = 0.0 ! ! D49 D(20,4,5,16) -169.3463 -DE/DX = 0.0 ! ! D50 D(3,4,10,18) -24.0648 -DE/DX = 0.0 ! ! D51 D(5,4,10,18) 101.5002 -DE/DX = 0.0 ! ! D52 D(20,4,10,18) -142.7773 -DE/DX = 0.0 ! ! D53 D(4,5,6,1) 34.4275 -DE/DX = 0.0 ! ! D54 D(4,5,6,12) -159.4826 -DE/DX = 0.0 ! ! D55 D(11,5,6,1) -171.6755 -DE/DX = 0.0 ! ! D56 D(11,5,6,12) -5.5857 -DE/DX = 0.0 ! ! D57 D(16,5,6,1) -65.2451 -DE/DX = 0.0 ! ! D58 D(16,5,6,12) 100.8447 -DE/DX = 0.0 ! ! D59 D(4,5,16,13) -64.9044 -DE/DX = 0.0 ! ! D60 D(4,5,16,19) 51.6501 -DE/DX = 0.0 ! ! D61 D(4,5,16,23) 166.5956 -DE/DX = 0.0 ! ! D62 D(6,5,16,13) 56.5205 -DE/DX = 0.0 ! ! D63 D(6,5,16,19) 173.0749 -DE/DX = 0.0 ! ! D64 D(6,5,16,23) -71.9796 -DE/DX = 0.0 ! ! D65 D(11,5,16,13) 178.4034 -DE/DX = 0.0 ! ! D66 D(11,5,16,19) -65.0421 -DE/DX = 0.0 ! ! D67 D(11,5,16,23) 49.9034 -DE/DX = 0.0 ! ! D68 D(3,9,18,10) -26.0385 -DE/DX = 0.0 ! ! D69 D(3,9,18,15) 72.627 -DE/DX = 0.0 ! ! D70 D(4,10,18,9) 26.027 -DE/DX = 0.0 ! ! D71 D(4,10,18,15) -72.6539 -DE/DX = 0.0 ! ! D72 D(2,13,14,15) 109.4373 -DE/DX = 0.0 ! ! D73 D(16,13,14,15) -5.6659 -DE/DX = 0.0 ! ! D74 D(22,13,14,15) -154.4538 -DE/DX = 0.0 ! ! D75 D(2,13,16,5) 0.0012 -DE/DX = 0.0 ! ! D76 D(2,13,16,19) -115.1479 -DE/DX = 0.0 ! ! D77 D(2,13,16,23) 101.1737 -DE/DX = 0.0 ! ! D78 D(14,13,16,5) 115.1487 -DE/DX = 0.0 ! ! D79 D(14,13,16,19) -0.0004 -DE/DX = 0.0 ! ! D80 D(14,13,16,23) -143.6788 -DE/DX = 0.0 ! ! D81 D(22,13,16,5) -101.1754 -DE/DX = 0.0 ! ! D82 D(22,13,16,19) 143.6754 -DE/DX = 0.0 ! ! D83 D(22,13,16,23) -0.0029 -DE/DX = 0.0 ! ! D84 D(13,14,15,17) 128.3918 -DE/DX = 0.0 ! ! D85 D(13,14,15,18) -110.4238 -DE/DX = 0.0 ! ! D86 D(13,14,15,19) 9.0721 -DE/DX = 0.0 ! ! D87 D(14,15,18,9) 27.6346 -DE/DX = 0.0 ! ! D88 D(14,15,18,10) 90.3251 -DE/DX = 0.0 ! ! D89 D(17,15,18,9) 148.655 -DE/DX = 0.0 ! ! D90 D(17,15,18,10) -148.6546 -DE/DX = 0.0 ! ! D91 D(19,15,18,9) -90.3248 -DE/DX = 0.0 ! ! D92 D(19,15,18,10) -27.6343 -DE/DX = 0.0 ! ! D93 D(14,15,19,16) -9.0724 -DE/DX = 0.0 ! ! D94 D(17,15,19,16) -128.3923 -DE/DX = 0.0 ! ! D95 D(18,15,19,16) 110.4234 -DE/DX = 0.0 ! ! D96 D(5,16,19,15) -109.4349 -DE/DX = 0.0 ! ! D97 D(13,16,19,15) 5.6666 -DE/DX = 0.0 ! ! D98 D(23,16,19,15) 154.4574 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 1|1| IMPERIAL COLLEGE-CHWS-274|Freq|RB3LYP|6-31G(d)|C9H12O2|KK3015|20- Feb-2018|0||#N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-3 1G(d) Freq||Title Card Required||0,1|C,2.109575,-0.70403,-0.726604|C,1 .193908,-1.36452,0.078362|C,0.792327,-0.778915,1.416792|C,0.792256,0.7 79263,1.416597|C,1.194149,1.364537,0.078119|C,2.109705,0.703725,-0.726 718|H,2.649187,-1.244655,-1.501806|H,1.088418,-2.44469,-0.012065|H,-0. 181006,-1.183365,1.715572|H,-0.181214,1.183717,1.714915|H,1.08886,2.44 4708,-0.012544|H,2.649444,1.244124,-1.501989|C,-0.75851,-0.694696,-0.9 70916|O,-1.815882,-1.147923,-0.185603|C,-2.404052,0.000061,0.4187|C,-0 .758503,0.694525,-0.971074|H,-3.487475,0.000041,0.240401|H,-2.199784,0 .000182,1.498213|O,-1.815882,1.147917,-0.185868|H,1.507304,1.142216,2. 167943|H,1.507686,-1.141603,2.167973|H,-0.506248,-1.344778,-1.792055|H ,-0.506199,1.34445,-1.792326||Version=EM64W-G09RevD.01|State=1-A|HF=-5 00.488669|RMSD=3.929e-009|RMSF=2.203e-006|ZeroPoint=0.1939402|Thermal= 0.2032602|Dipole=-0.1144858,-0.0000208,-0.0984867|DipoleDeriv=-0.24261 36,0.0826462,-0.1428691,-0.0495817,-0.0183119,0.0043726,-0.1005129,0.2 329377,-0.0367741,0.1019057,-0.0857489,0.0386267,0.0105078,0.1298561,0 .0104596,0.0908604,-0.1438062,0.1388518,0.1521226,0.0673206,-0.010653, -0.0090022,-0.019576,-0.0216488,0.0327095,-0.0276447,0.0743034,0.15206 86,-0.0673042,-0.0105947,0.0089956,-0.0195621,0.0216529,0.0327916,0.02 76485,0.0743079,0.1018069,0.0857468,0.0385415,-0.0105833,0.1298793,-0. 0104824,0.0908022,0.1437787,0.1387834,-0.2424289,-0.0826286,-0.1428417 ,0.049651,-0.018273,-0.0043385,-0.1005701,-0.2328828,-0.0367254,0.0376 58,0.0278291,0.0752875,0.0562728,0.0071282,-0.0598538,0.1370025,-0.087 2518,-0.0390489,0.0532557,0.0266436,0.0115798,-0.0002632,-0.1443194,-0 .0197472,-0.0008492,0.0033815,0.0098078,-0.0779676,-0.0858486,0.106975 6,-0.0423631,-0.0026741,0.0058776,0.0359807,0.0131877,0.0167289,-0.077 9847,0.0858688,0.1069338,0.0423678,-0.0026686,-0.0058288,0.0359355,-0. 013152,0.0167776,0.0532302,-0.0266821,0.0116001,0.000221,-0.1443249,0. 0197818,-0.0008543,-0.0033482,0.0098118,0.0376301,-0.0278376,0.0753066 ,-0.0562609,0.0071669,0.0598333,0.137033,0.0872163,-0.0390628,0.773178 5,0.2542998,-0.1134447,0.5450207,0.1428144,-0.0064435,-0.5186589,0.074 8014,0.1211923,-1.0961784,-0.1974639,0.2300044,-0.0895314,-0.5138942,- 0.1350905,0.6341327,0.0283625,-0.4253461,1.0763259,-0.0000229,-0.13443 58,0.0000202,0.5784577,0.0000386,-0.4704238,0.0000134,0.7104701,0.7732 681,-0.2543558,-0.1134098,-0.5450823,0.1428015,0.0064497,-0.5185581,-0 .0747909,0.1211655,-0.2977097,0.0000021,0.0030241,-0.0000121,0.0560407 ,-0.0000068,-0.0226337,-0.0000047,0.0066677,-0.0119709,-0.00001,-0.072 2028,0.000003,0.0023934,-0.000025,0.0793445,-0.0000239,-0.2024905,-1.0 963586,0.1975397,0.2299285,0.0896712,-0.5138804,0.1351013,0.6342116,-0 .0283433,-0.425355,-0.0332072,-0.0552637,-0.0960156,-0.025408,0.028317 2,-0.0142072,-0.1001833,-0.1028285,-0.1207979,-0.0332947,0.0552609,-0. 0960549,0.0253897,0.0283532,0.0141337,-0.1001728,0.1027663,-0.1207507, -0.0513625,-0.0251353,0.0023619,-0.0128326,0.0721217,-0.0311916,-0.003 6813,-0.06705,0.0037459,-0.0513739,0.0251441,0.0023514,0.0127998,0.072 154,0.0311628,-0.0037057,0.0670331,0.0037372|Polar=121.1863074,-0.0004 231,96.5769485,-6.4013274,0.0004809,86.0900808|PG=C01 [X(C9H12O2)]|NIm ag=1||0.39328126,0.01321123,0.65396814,-0.28754162,0.04436999,0.472405 91,-0.17079964,-0.04472165,0.12136512,0.25906551,-0.10429320,-0.170319 44,0.07947985,0.14181261,0.66543657,0.14304858,0.06591694,-0.19240605, -0.21635109,-0.01097003,0.46160922,-0.01076901,-0.00037242,0.02607150, -0.06764210,0.00789193,0.03222729,0.57817340,0.00258019,0.01865091,0.0 0973117,0.00194004,-0.10694948,-0.03498340,0.02318609,0.46049236,0.007 93444,-0.00517292,-0.01962808,0.04440908,-0.04238317,-0.16720582,0.004 78098,-0.03932820,0.50016865,-0.00635174,-0.00795137,0.00072939,0.0065 0147,0.00878210,-0.00469346,-0.07917033,0.00010048,0.00485507,0.578156 85,-0.00457339,-0.00501765,0.00215604,0.00481015,-0.01659923,-0.015261 47,-0.00008469,-0.16027564,0.00538029,-0.02318906,0.46051851,-0.000735 92,0.00237944,0.00174547,-0.00059876,-0.02881995,0.00440970,0.00486066 ,-0.00535694,-0.07545067,0.00483207,0.03933580,0.50016345,0.01649704,0 .07072624,-0.02139960,-0.05321138,-0.00646937,0.00609244,0.00650084,-0 .00481468,-0.00060029,-0.06765712,-0.00194445,0.04443035,0.25905000,0. 01939078,-0.03649013,-0.01814544,0.00647705,-0.00526162,-0.00480673,-0 .00879751,-0.01658992,0.02882250,-0.00789733,-0.10693383,0.04236260,-0 .14176989,0.66547890,-0.00412696,-0.02092744,0.01048120,0.00609441,0.0 0480626,-0.00543013,-0.00469148,0.01526351,0.00439928,0.03224745,0.034 97049,-0.16721053,-0.21633675,0.01095761,0.46157774,-0.07456264,-0.016 40802,0.03436571,0.01648357,-0.01940102,-0.00412206,-0.00635000,0.0045 7353,-0.00073473,-0.01077137,-0.00257319,0.00793682,-0.17077567,0.1043 1808,0.14300761,0.39327972,0.01636574,-0.31047839,-0.03291381,-0.07074 401,-0.03646841,0.02093525,0.00795037,-0.00501931,-0.00238158,0.000383 07,0.01865057,0.00516749,0.04474657,-0.17037395,-0.06593856,-0.0131993 6,0.65396246,0.03436837,0.03293983,-0.10372272,-0.02138670,0.01815758, 0.01047278,0.00072756,-0.00215326,0.00174590,0.02607090,-0.00974330,-0 .01961726,0.12134256,-0.07950004,-0.19237145,-0.28754411,-0.04434875,0 .47239933,-0.11270795,0.06044004,0.10788460,-0.00243521,0.01207668,0.0 1683947,0.00207172,-0.00398582,0.00097526,-0.00062241,-0.00004106,-0.0 0072774,0.00605828,-0.00082380,0.00280476,0.00252304,0.00214905,-0.001 60156,0.11148644,0.06351212,-0.12574226,-0.09988923,-0.00714096,0.0107 0286,0.01401588,-0.00316325,-0.00087156,0.00079822,-0.00024890,-0.0002 6314,0.00036370,-0.00188394,-0.00566054,0.00152245,0.01778620,-0.01143 594,-0.02421218,-0.07070855,0.13129524,0.11026753,-0.10340289,-0.18628 323,0.00934445,-0.01003023,-0.01067480,0.00660123,0.00060804,0.0015447 3,-0.00060213,0.00080311,-0.00023349,0.00288284,-0.00019036,0.00299689 ,-0.00051617,0.00440332,0.00202667,-0.12170624,0.10715556,0.19388403,0 .00171989,-0.02569041,-0.00247747,-0.04248127,-0.02514677,0.00903788,0 .00214677,0.00714568,-0.00072007,0.00089909,0.00238257,0.00087569,0.00 035427,0.00158774,0.00066932,-0.00009843,0.00071192,0.00786397,-0.0022 2642,0.00095060,-0.00314608,0.04004505,0.00139186,-0.01107741,-0.00307 231,-0.03327539,-0.32794977,-0.02611224,-0.00117388,-0.00861638,0.0014 8735,0.00051068,0.00071829,-0.00161139,-0.00000040,0.00047047,-0.00032 569,-0.00302048,0.00054262,0.00094092,0.00058216,0.00088167,0.00103852 ,0.03454255,0.34654172,-0.00007391,0.01833332,0.00370219,0.00878327,-0 .02497377,-0.05107299,-0.00176669,-0.02908453,0.00000385,0.00193097,0. 00106374,-0.00546448,0.00116225,0.00134769,-0.00084481,0.00460406,0.00 235381,0.00204105,-0.00251311,0.00018873,-0.00111481,-0.00999754,0.027 93764,0.05226851,-0.00024439,0.00210568,0.00094356,-0.00625247,-0.0024 2756,0.00333724,-0.25761240,-0.08427327,0.06171524,0.00353357,0.001930 65,-0.00220652,0.00027846,0.00064272,-0.00013537,0.00014395,0.00055365 ,-0.00038671,0.00021216,-0.00037119,0.00058756,0.00039477,0.00025572,0 .00036484,0.28097121,0.00058392,0.00102021,-0.00330111,0.01135314,0.00 636158,-0.00044042,-0.08344339,-0.08499984,0.02440595,-0.02571135,-0.0 1131806,0.00751621,-0.00074593,-0.00326635,-0.00188757,0.00070837,-0.0 0115079,-0.00018624,0.00002439,0.00028881,-0.00060446,0.00005047,0.000 36939,0.00061232,0.08797211,0.09230457,0.00230696,-0.00398950,-0.00382 869,0.02798290,0.01262194,-0.01166034,0.05771212,0.02494815,-0.0644836 2,0.00005865,-0.00086244,-0.00059800,-0.00072203,0.00080764,-0.0003963 1,-0.00027237,-0.00090450,0.00035275,0.00036989,0.00091685,-0.00162095 ,-0.00090727,-0.00017564,0.00076262,-0.06661825,-0.02513108,0.07352409 ,0.00014430,-0.00055275,-0.00038715,0.00027775,-0.00064170,-0.00013425 ,0.00353214,-0.00192875,-0.00220403,-0.25767025,0.08428512,0.06162625, -0.00626198,0.00243149,0.00334375,-0.00024589,-0.00210810,0.00094314,- 0.00002711,0.00007831,-0.00001918,-0.00012041,-0.00007693,-0.00023887, 0.00197370,-0.00000224,-0.00022260,0.28103920,-0.00070854,-0.00115083, 0.00018599,0.00074659,-0.00326191,0.00188691,0.02571597,-0.01131653,-0 .00749963,0.08345084,-0.08500320,-0.02436537,-0.01134571,0.00635955,0. 00042958,-0.00058385,0.00102260,0.00329962,-0.00006294,0.00011374,-0.0 0011543,0.00048860,-0.00056523,-0.00101179,0.00000247,0.00186017,-0.00 022475,-0.08798290,0.09230339,-0.00027230,0.00090497,0.00035277,-0.000 72213,-0.00080706,-0.00039643,0.00005220,0.00086743,-0.00059807,0.0576 2412,-0.02491097,-0.06442414,0.02798897,-0.01262258,-0.01165151,0.0023 0867,0.00398725,-0.00382943,0.00004610,-0.00008050,0.00006956,0.000180 07,-0.00014653,-0.00007704,-0.00022223,0.00022393,0.00126518,-0.066521 87,0.02508897,0.07346896,-0.00009753,-0.00070882,0.00786341,0.00035255 ,-0.00158757,0.00067064,0.00089900,-0.00238303,0.00087653,0.00214663,- 0.00715020,-0.00071989,-0.04247563,0.02509414,0.00903886,0.00172533,0. 02568583,-0.00248255,0.00034673,0.00159173,0.00017469,-0.00027133,0.00 019560,-0.00031419,-0.00012037,-0.00048895,0.00018016,0.00039510,-0.00 005005,-0.00090749,0.04003147,0.00302144,0.00054210,-0.00094226,0.0000 0037,0.00047057,0.00032559,-0.00051156,0.00071862,0.00160978,0.0011728 1,-0.00860987,-0.00148536,0.03322272,-0.32794738,0.02617072,-0.0013934 1,-0.01108641,0.00307567,-0.00000365,-0.00064096,0.00017894,-0.0001955 9,0.00000356,-0.00013398,0.00007706,-0.00056518,0.00014649,-0.00025557 ,0.00036897,0.00017582,-0.03448807,0.34654070,0.00460334,-0.00235331,0 .00204190,0.00116120,-0.00134839,-0.00084379,0.00193488,-0.00106578,-0 .00546404,-0.00176456,0.02908597,-0.00000320,0.00878048,0.02503187,-0. 05108178,-0.00007489,-0.01833147,0.00370488,0.00020576,-0.00079656,0.0 0020555,-0.00031416,0.00013406,0.00003268,-0.00023909,0.00101293,-0.00 007729,0.00036484,-0.00061229,0.00076216,-0.00999895,-0.02800010,0.052 27762,0.00251968,-0.00215093,-0.00159681,0.00605895,0.00082179,0.00280 418,-0.00062235,0.00004111,-0.00072721,0.00207461,0.00398526,0.0009752 2,-0.00243860,-0.01207116,0.01683796,-0.11273922,-0.06043011,0.1079145 9,-0.00201808,-0.00008323,-0.00199777,0.00034624,0.00000349,0.00020595 ,-0.00002725,0.00006295,0.00004611,0.00021212,-0.00002394,0.00036908,- 0.00222658,-0.00058200,-0.00251309,0.11152153,-0.01778954,-0.01142844, 0.02421413,0.00188191,-0.00566172,-0.00152158,0.00024895,-0.00026337,- 0.00036344,0.00316365,-0.00087324,-0.00079760,0.00714577,0.01070292,-0 .01402273,-0.06350097,-0.12568721,0.09985709,0.00008356,0.00127224,-0. 00046759,-0.00159179,-0.00064055,0.00079683,-0.00007831,0.00011380,0.0 0008050,0.00037145,0.00028869,-0.00091708,-0.00095042,0.00088181,-0.00 018874,0.07069653,0.13123510,-0.00051399,-0.00440036,0.00202325,0.0028 8288,0.00019108,0.00299704,-0.00060222,-0.00080291,-0.00023268,0.00660 098,-0.00060875,0.00154652,0.00934452,0.01002480,-0.01067442,0.1102984 6,0.10336959,-0.18631063,-0.00199775,0.00046770,-0.00044312,0.00017481 ,-0.00017888,0.00020553,-0.00001923,0.00011549,0.00006956,0.00058790,0 .00060406,-0.00162131,-0.00314609,-0.00103832,-0.00111491,-0.12173960, -0.10712027,0.19391200,-0.03268545,-0.03258781,0.01354235,0.05526313,- 0.00734876,0.00557992,-0.00600541,0.00197603,-0.01246520,-0.00271295,0 .00026200,-0.00140232,0.02610119,-0.00561720,-0.00247003,-0.00722706,0 .02921134,0.01010043,-0.00153130,-0.00045415,-0.00149464,-0.00087072,- 0.00083585,-0.00068820,-0.00177018,-0.00061784,0.00331993,-0.00038286, 0.00044389,0.00054184,-0.00143949,0.00025391,-0.00094677,-0.00126196,0 .00047148,-0.00077219,0.26316333,0.02425766,0.04198950,-0.02215215,-0. 07106918,-0.01098108,-0.00723168,0.00812126,0.00040393,0.00419169,0.00 758010,0.00041255,0.00387693,-0.06378758,-0.00389597,-0.00379830,0.017 64970,-0.04381272,-0.01943184,0.00268361,0.00020415,0.00188815,0.00782 696,-0.00152823,0.00544717,-0.00021468,-0.00036606,-0.00002186,0.00002 067,0.00048635,-0.00049941,0.00189020,0.00009473,0.00177448,0.00275055 ,-0.00020344,0.00171908,0.02263472,0.67749246,-0.01005299,-0.01519749, 0.00605427,0.03388569,-0.00662593,-0.00595081,-0.01308226,0.00235109,- 0.01317208,-0.00349184,0.00030686,-0.00091892,0.01704455,-0.00364331,- 0.00039320,-0.00356222,0.01604545,0.00830128,-0.00072703,-0.00033630,- 0.00089586,-0.00069712,-0.00025049,-0.00074203,-0.00089124,0.00068756, -0.00239186,0.00049227,-0.00063123,0.00006684,-0.00122043,-0.00042358, -0.00108207,-0.00093875,-0.00003285,-0.00053890,-0.23120685,0.19336632 ,0.45422804,0.00206542,-0.00101001,-0.00220346,-0.00994130,-0.00235474 ,0.00216037,-0.00202008,-0.00068896,0.00379246,-0.00092368,-0.00015552 ,0.00042379,-0.00196420,0.00227910,0.00292115,-0.00608549,-0.00332404, -0.00135410,-0.00016450,0.00025113,0.00032297,0.00007656,0.00092793,-0 .00023375,0.00096478,0.00067493,-0.00011579,0.00051317,-0.00064322,-0. 00062783,0.00011996,-0.00014505,-0.00013606,0.00034661,-0.00010129,0.0 0007394,-0.13257339,-0.07477481,0.09695927,0.27919904,-0.00176429,-0.0 0251006,0.00209761,0.00524610,0.00129241,0.00087935,-0.00090347,0.0000 2126,0.00015320,0.00006805,-0.00059357,-0.00055247,0.00480714,-0.00009 118,0.00087590,-0.00110278,0.00297721,0.00162365,-0.00042289,0.0000579 7,-0.00017461,-0.00120374,0.00075608,-0.00058432,0.00029878,-0.0003442 5,-0.00139185,-0.00000760,0.00015502,0.00029051,-0.00012038,0.00027138 ,-0.00030837,-0.00038258,0.00000136,-0.00022858,-0.04230763,-0.1097573 1,0.00870976,0.02686220,0.35032635,-0.00101541,0.00201940,0.00054235,- 0.00324246,-0.00033909,-0.00178452,0.00210559,0.00054266,-0.00127240,0 .00144724,0.00010065,0.00022228,-0.00472152,-0.00117989,-0.00166596,0. 00399817,-0.00163181,-0.00152988,0.00013602,-0.00006737,0.00002000,0.0 0042297,-0.00042428,0.00049628,-0.00145724,-0.00102372,0.00166039,-0.0 0046853,0.00064230,0.00034334,0.00005440,-0.00013499,0.00035788,-0.000 01241,0.00008553,0.00017655,0.08207298,0.03478341,-0.10628549,-0.18089 628,0.01573606,0.22254765,-0.00008121,-0.00038787,-0.00002143,-0.00083 838,0.00029603,0.00034135,-0.00003682,0.00025571,-0.00023693,-0.000036 51,-0.00025604,-0.00023668,-0.00083797,-0.00029555,0.00034186,-0.00008 173,0.00038764,-0.00002140,0.00007168,-0.00008561,-0.00010549,0.000145 92,-0.00009348,0.00015565,-0.00142753,0.00017644,-0.00119486,-0.001429 80,-0.00017763,-0.00119632,0.00014602,0.00009359,0.00015566,0.00007171 ,0.00008561,-0.00010551,-0.03086193,0.01978775,0.02995967,-0.10340352, 0.01393662,0.02835569,0.64639651,0.00379557,-0.00139368,-0.00031048,-0 .00118234,0.00019133,-0.00145272,0.00023330,0.00082568,-0.00001175,-0. 00023267,0.00082588,0.00001192,0.00117888,0.00019192,0.00145349,-0.003 79437,-0.00139566,0.00030911,-0.00016157,-0.00003248,0.00010860,0.0002 5761,-0.00021389,-0.00009624,0.00100561,-0.00027914,0.00185975,-0.0010 0724,-0.00027989,-0.00186046,-0.00025708,-0.00021353,0.00009645,0.0001 6178,-0.00003254,-0.00010846,0.04809155,0.00864336,-0.02469897,0.02202 137,-0.13640055,-0.03976439,-0.00000485,0.36026172,-0.00142527,-0.0012 5240,-0.00009282,0.00155425,-0.00031820,0.00167083,-0.00240508,-0.0005 2350,0.00093301,-0.00240583,0.00052349,0.00093197,0.00155435,0.0003177 6,0.00166928,-0.00142344,0.00125332,-0.00009283,0.00005005,0.00015267, -0.00005273,-0.00002991,-0.00004032,-0.00047196,-0.00001791,0.00204782 ,0.00017508,-0.00001795,-0.00204827,0.00017717,-0.00003008,0.00004016, -0.00047211,0.00005001,-0.00015269,-0.00005266,0.02257230,-0.01411630, -0.02645317,0.03233991,-0.02317221,-0.10319474,0.00461646,0.00003440,0 .61533364,-0.00722917,-0.02920322,0.01010293,0.02609749,0.00561595,-0. 00247150,-0.00271168,-0.00026194,-0.00140068,-0.00600275,-0.00197834,- 0.01246900,0.05524435,0.00734434,0.00557492,-0.03266998,0.03258821,0.0 1353323,-0.00126236,-0.00047120,-0.00077225,-0.00144063,-0.00025358,-0 .00094720,-0.00038274,-0.00044379,0.00054248,-0.00177262,0.00061889,0. 00332010,-0.00086675,0.00083663,-0.00068577,-0.00153053,0.00045423,-0. 00149410,-0.05365662,0.05701259,0.00219183,-0.03634215,-0.02366360,0.0 3788867,-0.03086091,-0.04808618,0.02258220,0.26317087,-0.01766039,-0.0 4380936,0.01944277,0.06380529,-0.00390481,0.00380220,-0.00758088,0.000 41215,-0.00387449,-0.00812568,0.00040327,-0.00419837,0.07105688,-0.010 98308,0.00722865,-0.02424640,0.04199804,0.02214196,-0.00275141,-0.0002 0311,-0.00171960,-0.00189226,0.00009523,-0.00177566,-0.00002003,0.0004 8698,0.00050002,0.00021402,-0.00036502,0.00002084,-0.00782151,-0.00152 603,-0.00544395,-0.00268280,0.00020449,-0.00188772,-0.05702831,-0.3294 1209,-0.02050223,-0.02189837,-0.04299602,0.02966806,-0.01978153,0.0086 5446,0.01410827,-0.02266500,0.67742216,-0.00356044,-0.01602822,0.00829 903,0.01702748,0.00364196,-0.00039438,-0.00348772,-0.00030611,-0.00091 570,-0.01307342,-0.00235360,-0.01317370,0.03385170,0.00662215,-0.00594 817,-0.01003964,0.01518394,0.00604202,-0.00093785,0.00003302,-0.000538 34,-0.00122041,0.00042386,-0.00108190,0.00049191,0.00063091,0.00006549 ,-0.00089402,-0.00068784,-0.00239670,-0.00069220,0.00025140,-0.0007394 4,-0.00072595,0.00033613,-0.00089491,0.00220360,0.02054987,-0.08815915 ,0.02565580,0.01497712,-0.00536265,0.02996309,0.02469233,-0.02646091,- 0.23120094,-0.19340331,0.45430121,-0.00058217,-0.00046892,0.00002482,0 .00067869,-0.00023128,0.00042091,-0.00001143,0.00001538,-0.00008668,-0 .00001133,-0.00001542,-0.00008675,0.00067861,0.00023113,0.00042079,-0. 00058191,0.00046907,0.00002476,-0.00004537,0.00001905,0.00002732,-0.00 000151,0.00004373,-0.00003326,0.00006266,-0.00002768,0.00013170,0.0000 6263,0.00002768,0.00013177,-0.00000157,-0.00004376,-0.00003326,-0.0000 4538,-0.00001904,0.00002732,-0.00059567,0.00073300,-0.00209330,-0.0089 2278,0.01146274,0.00711095,-0.29382806,-0.00000631,-0.05422517,-0.0005 9575,-0.00073327,-0.00209284,0.31976592,-0.00048914,0.00020275,0.00013 334,0.00049820,-0.00002795,-0.00010063,-0.00011400,0.00003409,-0.00009 739,0.00011407,0.00003405,0.00009737,-0.00049790,-0.00002798,0.0001006 2,0.00048913,0.00020273,-0.00013322,0.00000676,-0.00000719,-0.00003060 ,-0.00004057,0.00000993,-0.00001136,-0.00002638,0.00000239,-0.00010125 ,0.00002641,0.00000249,0.00010130,0.00004049,0.00000987,0.00001133,-0. 00000679,-0.00000719,0.00003059,-0.00149125,-0.00420352,0.00395911,0.0 3389714,-0.00349330,-0.00808103,-0.00000698,-0.05090387,-0.00000253,0. 00149158,-0.00420457,-0.00395839,0.00000495,0.05898480,0.00052121,0.00 061713,-0.00003496,-0.00058205,0.00001679,-0.00030106,0.00047880,0.000 12093,-0.00025327,0.00047905,-0.00012118,-0.00025318,-0.00058197,-0.00 001663,-0.00030075,0.00052091,-0.00061733,-0.00003488,-0.00001276,-0.0 0001455,0.00003293,0.00000873,0.00001006,0.00009179,-0.00018545,-0.000 45436,0.00003240,-0.00018579,0.00045449,0.00003203,0.00000875,-0.00001 005,0.00009181,-0.00001276,0.00001457,0.00003292,0.00124664,-0.0013427 3,-0.00096326,0.02117041,-0.00522456,0.00542334,-0.06126772,-0.0000026 1,-0.07257429,0.00124596,0.00134347,-0.00096271,0.04745215,0.00000130, 0.06919384,0.00015818,0.00041150,-0.00034851,-0.00013272,0.00007020,0. 00051496,-0.00045209,-0.00008565,-0.00019740,-0.00045200,0.00008545,-0 .00019795,-0.00013276,-0.00007012,0.00051538,0.00015825,-0.00041157,-0 .00034859,0.00000412,0.00000869,-0.00003146,0.00004295,-0.00005891,-0. 00001329,-0.00041581,0.00051701,-0.00007445,-0.00041665,-0.00051714,-0 .00007418,0.00004295,0.00005889,-0.00001333,0.00000408,-0.00000871,-0. 00003147,0.00076490,0.00122794,0.00003560,0.00597179,0.00552413,0.0220 1938,-0.07722403,-0.00000716,-0.06587246,0.00076451,-0.00122784,0.0000 3602,-0.00615360,-0.00000351,-0.03178987,0.07272899,-0.00052192,0.0001 5542,0.00022462,0.00004175,-0.00020938,-0.00004446,0.00053215,0.000230 13,-0.00006126,-0.00053194,0.00023011,0.00006073,-0.00004160,-0.000209 48,0.00004462,0.00052180,0.00015548,-0.00022452,0.00003571,-0.00000836 ,0.00002310,-0.00001277,0.00002594,-0.00000964,0.00021039,-0.00036325, -0.00005215,-0.00021087,-0.00036317,0.00005269,0.00001273,0.00002590,0 .00000962,-0.00003575,-0.00000836,-0.00002312,-0.00754368,-0.00379325, -0.00114939,0.00944443,-0.00883168,-0.03466116,-0.00000596,-0.04508265 ,-0.00002644,0.00754295,-0.00379259,0.00115014,-0.00000041,0.00692132, -0.00000130,0.00000589,0.06224409,0.00047178,0.00077518,-0.00021886,-0 .00086635,0.00010362,-0.00007193,0.00080296,0.00015366,-0.00048866,0.0 0080349,-0.00015414,-0.00048853,-0.00086626,-0.00010328,-0.00007145,0. 00047133,-0.00077546,-0.00021874,-0.00004264,-0.00002705,0.00004081,0. 00005154,0.00000873,0.00016220,-0.00038110,-0.00067866,0.00010105,-0.0 0038135,0.00067919,0.00010103,0.00005157,-0.00000870,0.00016223,-0.000 04262,0.00002707,0.00004082,-0.00256550,-0.00236943,0.00085444,0.00667 420,-0.01425175,-0.01247073,-0.05782359,-0.00002660,-0.28433234,-0.002 56751,0.00237024,0.00085386,-0.00374114,-0.00000132,-0.00495731,0.0533 1790,0.00002882,0.31399515,-0.00608872,0.00332077,-0.00135298,-0.00195 954,-0.00227867,0.00292304,-0.00092418,0.00015521,0.00042316,-0.002025 69,0.00068968,0.00379332,-0.00992906,0.00235321,0.00215492,0.00206485, 0.00101560,-0.00220010,0.00034623,0.00010129,0.00007357,0.00011985,0.0 0014509,-0.00013620,0.00051284,0.00064324,-0.00062851,0.00096620,-0.00 067537,-0.00011484,0.00007481,-0.00092829,-0.00023456,-0.00016488,-0.0 0025114,0.00032266,-0.03634475,0.02191140,0.02565016,0.02207581,-0.014 40990,-0.01469246,-0.10340050,-0.02200704,0.03234140,-0.13257324,0.074 79211,0.09694064,-0.00892239,-0.03389219,0.02117793,0.00597144,-0.0094 4305,0.00667629,0.27919277,0.00110471,0.00297692,-0.00162479,-0.004809 25,-0.00009047,-0.00087675,-0.00006780,-0.00059355,0.00055237,0.000904 11,0.00002135,-0.00015345,-0.00524493,0.00129332,-0.00088042,0.0017629 0,-0.00251141,-0.00209628,0.00038262,0.00000127,0.00022867,0.00012050, 0.00027159,0.00030851,0.00000742,0.00015485,-0.00029048,-0.00029924,-0 .00034433,0.00139259,0.00120352,0.00075566,0.00058427,0.00042276,0.000 05799,0.00017453,0.02367487,-0.04300820,-0.01496924,0.01440556,-0.0588 5317,-0.01102359,-0.01392431,-0.13637740,0.02317486,0.04232614,-0.1097 6975,-0.00871032,-0.01146057,-0.00348996,0.00522652,-0.00551915,-0.008 82058,0.01424999,-0.02691099,0.35031420,0.00400020,0.00163062,-0.00153 094,-0.00472234,0.00118046,-0.00166689,0.00144631,-0.00010040,0.000220 82,0.00210414,-0.00054295,-0.00127252,-0.00324025,0.00034037,-0.001787 15,-0.00101677,-0.00201936,0.00054345,-0.00001253,-0.00008553,0.000176 60,0.00005470,0.00013501,0.00035804,-0.00046879,-0.00064228,0.00034440 ,-0.00145847,0.00102428,0.00165967,0.00042302,0.00042406,0.00049656,0. 00013604,0.00006743,0.00001994,0.03788600,-0.02966304,-0.00535107,-0.0 1469621,0.01103947,0.00864744,0.02835444,0.03976602,-0.10320517,0.0820 6621,-0.03478217,-0.10627442,0.00711306,0.00808274,0.00541976,0.022019 65,0.03465925,-0.01248144,-0.18088437,-0.01575802,0.22255311,0.0003784 9,-0.00031920,-0.00028551,-0.00043550,0.00059612,0.00049013,0.00037721 ,0.00245054,0.00101462,-0.15997208,-0.05399173,-0.11198095,0.00618746, 0.00384583,0.00801248,0.00066944,-0.00055737,0.00120349,0.00003532,0.0 0001520,0.00000920,0.00008314,0.00004007,0.00003120,0.00078276,-0.0005 1143,0.00003950,-0.02174689,-0.00914612,-0.02137390,0.00034687,0.00022 996,-0.00065792,-0.00043053,-0.00010128,-0.00051677,-0.00010889,0.0001 2080,0.00024323,0.00027813,-0.00021041,-0.00009090,0.00016228,0.000241 61,0.00073153,-0.00103311,0.00036394,0.00049257,-0.00010136,0.00000926 ,-0.00024689,-0.00001970,0.00007154,-0.00045489,0.00108331,-0.00041139 ,-0.00094436,0.17101674,0.00108753,0.00090956,-0.00024515,-0.00187912, -0.00323381,0.00234316,-0.01946235,-0.01573973,-0.02016414,-0.05156440 ,-0.07029079,-0.05391576,0.00635823,0.00510081,0.00878546,0.00100322,- 0.00137782,0.00035796,0.00009991,0.00005195,-0.00003909,-0.00034435,-0 .00019706,-0.00158031,-0.00003214,-0.00403629,-0.00056858,0.00750982,0 .00382024,0.00823249,-0.00003779,0.00012153,-0.00066798,-0.00034086,-0 .00008828,-0.00043278,0.00029650,-0.00104481,0.00060222,-0.00010983,0. 00039976,-0.00029074,0.00003554,-0.00036615,0.00003211,0.00087924,0.00 101581,0.00183079,0.00002812,0.00001528,0.00001295,0.00009020,-0.00000 691,0.00004530,-0.00035985,0.00000578,-0.00036613,0.05696593,0.0834532 4,-0.00114532,-0.00263498,0.00116712,0.00200058,0.00030111,-0.00035262 ,0.00050344,0.00077538,0.00115759,-0.11536594,-0.05842125,-0.16157830, -0.01330525,-0.00750102,-0.02751017,-0.00218838,0.00450052,0.00130040, -0.00013966,-0.00000612,-0.00014946,-0.00021112,0.00005166,-0.00009002 ,0.00046446,0.00050945,-0.00002548,0.00514792,0.00328684,0.00697069,0. 00018439,0.00042852,0.00062785,0.00087696,0.00018902,0.00074502,-0.000 53065,0.00304879,-0.00095061,-0.00051166,-0.00032527,0.00057783,0.0002 1198,-0.00002217,-0.00060873,0.00016691,-0.00193475,-0.00381437,-0.000 10819,0.00000725,0.00011287,-0.00010982,-0.00012671,0.00023711,-0.0001 3506,0.00039662,0.00172562,0.12371875,0.05692273,0.17814343,0.00066999 ,0.00055488,0.00120590,0.00618569,-0.00384020,0.00800152,-0.16006353,0 .05397084,-0.11199826,0.00037645,-0.00244672,0.00101269,-0.00043476,-0 .00059495,0.00048903,0.00037767,0.00032152,-0.00028512,-0.00042990,0.0 0010125,-0.00051656,0.00034644,-0.00023011,-0.00065764,-0.02175184,0.0 0913646,-0.02136538,0.00078390,0.00051177,0.00003932,0.00008292,-0.000 04000,0.00003084,0.00003514,-0.00001523,0.00000904,-0.00103212,-0.0003 6360,0.00049296,0.00108265,0.00041082,-0.00094369,0.00016222,-0.000241 41,0.00073173,-0.00010922,-0.00012105,0.00024303,-0.00010136,-0.000009 30,-0.00024682,-0.00001966,-0.00007164,-0.00045480,0.00027802,0.000210 47,-0.00009117,0.00237935,-0.00025639,0.00062867,0.17111433,-0.0010039 2,-0.00137710,-0.00035706,-0.00636345,0.00509944,-0.00879133,0.0515409 9,-0.07025106,0.05386258,0.01947643,-0.01573371,0.02015811,0.00187854, -0.00323034,-0.00234089,-0.00108813,0.00090964,0.00024496,0.00034098,- 0.00008843,0.00043301,0.00003817,0.00012111,0.00066831,-0.00751406,0.0 0381716,-0.00823180,0.00003171,-0.00404028,0.00057063,0.00034433,-0.00 019653,0.00157919,-0.00009988,0.00005195,0.00003904,-0.00087874,0.0010 1559,-0.00183161,0.00035970,0.00000580,0.00036658,-0.00003552,-0.00036 634,-0.00003216,-0.00029603,-0.00104551,-0.00060229,-0.00002815,0.0000 1529,-0.00001292,-0.00009027,-0.00000697,-0.00004526,0.00010969,0.0004 0008,0.00029109,0.00025718,0.00140430,0.00085537,-0.05694653,0.0834124 3,-0.00218823,-0.00449839,0.00130172,-0.01331466,0.00749038,-0.0275098 3,-0.11538439,0.05836774,-0.16152445,0.00049869,-0.00077131,0.00115096 ,0.00199934,-0.00030024,-0.00035236,-0.00114450,0.00263457,0.00116642, 0.00087650,-0.00018923,0.00074512,0.00018417,-0.00042827,0.00062719,0. 00516110,-0.00328876,0.00697974,0.00046456,-0.00050952,-0.00002437,-0. 00021109,-0.00005145,-0.00009045,-0.00013960,0.00000611,-0.00014951,0. 00016779,0.00193290,-0.00381497,-0.00013519,-0.00039619,0.00172567,0.0 0021197,0.00002210,-0.00060895,-0.00053018,-0.00304841,-0.00094927,-0. 00010813,-0.00000721,0.00011294,-0.00010979,0.00012684,0.00023724,-0.0 0051173,0.00032521,0.00057749,0.00062871,-0.00085577,0.00222918,0.1237 3796,-0.05686223,0.17808565,0.00267497,0.00642925,-0.00538194,-0.01437 927,-0.00238394,-0.00666596,0.00005871,0.00029033,0.00000371,0.0006316 1,0.00025918,0.00059111,-0.00645508,-0.00044089,-0.00005136,0.00208962 ,-0.00533399,-0.00110226,0.00007510,0.00006896,0.00046561,0.00066074,0 .00034148,0.00023788,0.00010671,0.00002886,-0.00047351,0.00006743,-0.0 0006032,-0.00009518,0.00012881,-0.00003869,0.00013765,0.00023967,-0.00 012645,0.00015098,-0.03806686,0.02286663,0.06177921,-0.01414142,0.0169 8479,0.02129124,-0.00140369,-0.00473535,0.00436521,0.00383449,0.008866 98,-0.00077198,-0.00037342,0.00097440,0.00040062,-0.00059660,0.0011942 8,0.00043324,0.00378863,-0.00089782,0.00063774,0.00000093,-0.00004412, 0.00023602,0.00006664,-0.00007718,-0.00038934,0.06229548,-0.00187199,- 0.00177670,0.00151951,0.00496481,0.00197469,0.00252467,0.00012007,-0.0 0020179,0.00002650,-0.00013405,-0.00010093,-0.00004757,0.00239148,-0.0 0061059,0.00003679,-0.00037302,0.00215519,0.00060068,-0.00012906,0.000 10954,-0.00015973,-0.00021402,0.00003635,0.00002385,-0.00010473,-0.000 03705,0.00009263,0.,-0.00005367,0.00002803,-0.00022885,-0.00005539,-0. 00017967,-0.00018520,-0.00002544,-0.00006553,0.03821873,-0.17098627,-0 .15596917,-0.00599452,0.01093314,0.01305330,-0.00213057,-0.00312776,0. 00224679,0.00882335,-0.00775425,-0.02023143,0.00013822,-0.00003472,0.0 0004880,-0.00017979,0.00075404,0.00026585,-0.00007704,-0.00332675,-0.0 0162301,0.00000378,0.00004571,-0.00009568,-0.00003713,0.00003776,0.000 20543,-0.04358337,0.17189864,0.00390130,0.00487571,-0.00091560,-0.0097 7843,-0.00082792,-0.00366857,0.00046264,0.00012262,0.00018474,0.000651 83,0.00014748,0.00033126,-0.00492655,0.00054808,0.00023146,0.00122839, -0.00509698,-0.00145483,-0.00002299,0.00011193,0.00014209,0.00004221,0 .00061825,0.00004440,0.00010463,-0.00007029,-0.00022329,0.00005859,0.0 0005366,-0.00002682,0.00015494,0.00001998,0.00016363,0.00025345,0.0000 2207,0.00012182,0.07745315,-0.16235632,-0.21807070,0.00737046,-0.00787 984,-0.01141291,-0.00022898,0.00285247,-0.00110936,-0.00214653,0.00959 967,0.00663176,-0.00013838,0.00036041,0.00002945,0.00037684,-0.0008313 7,-0.00049298,0.00104557,0.00189358,0.00223817,-0.00003931,-0.00004285 ,0.00021452,-0.00002403,-0.00000422,-0.00012964,-0.07472919,0.15679149 ,0.22788995,0.00209042,0.00533381,-0.00110281,-0.00645600,0.00044136,- 0.00005161,0.00063162,-0.00025904,0.00059092,0.00005993,-0.00029026,0. 00000453,-0.01437629,0.00238278,-0.00666272,0.00267396,-0.00643101,-0. 00537980,0.00023979,0.00012644,0.00015100,0.00012906,0.00003865,0.0001 3778,0.00006739,0.00006032,-0.00009537,0.00010683,-0.00002899,-0.00047 397,0.00066011,-0.00034172,0.00023778,0.00007501,-0.00006896,0.0004654 2,0.00383508,-0.00886569,-0.00077040,0.00378857,0.00089791,0.00063760, -0.00140374,0.00473628,0.00436368,-0.03807150,-0.02286247,0.06179159,- 0.00037346,-0.00097440,0.00040092,-0.00059653,-0.00119405,0.00043349,- 0.01414176,-0.01698012,0.02129376,0.00006663,0.00007698,-0.00038902,0. 00000097,0.00004414,0.00023602,-0.00130320,0.00058290,-0.00106962,0.06 229710,0.00037358,0.00215594,-0.00060124,-0.00239266,-0.00061039,-0.00 003652,0.00013412,-0.00010096,0.00004756,-0.00011964,-0.00020171,-0.00 002608,-0.00496610,0.00197446,-0.00252455,0.00187209,-0.00177852,-0.00 151940,0.00018528,-0.00002546,0.00006556,0.00022890,-0.00005540,0.0001 7969,0.00000007,-0.00005366,-0.00002809,0.00010491,-0.00003711,-0.0000 9286,0.00021412,0.00003586,-0.00002355,0.00012903,0.00010943,0.0001597 1,-0.00882380,-0.00774965,0.02023342,0.00007687,-0.00332667,0.00162414 ,0.00213098,-0.00312881,-0.00224662,-0.03821121,-0.17092639,0.15595789 ,-0.00013826,-0.00003475,-0.00004878,0.00017991,0.00075417,-0.00026602 ,0.00599625,0.01093256,-0.01305792,0.00003717,0.00003766,-0.00020531,- 0.00000374,0.00004571,0.00009572,-0.00058304,0.00014625,-0.00090761,0. 04357516,0.17183743,0.00122864,0.00509536,-0.00145521,-0.00492635,-0.0 0054728,0.00023140,0.00065168,-0.00014736,0.00033100,0.00046315,-0.000 12255,0.00018531,-0.00977386,0.00082647,-0.00366569,0.00389914,-0.0048 7491,-0.00091428,0.00025345,-0.00002209,0.00012182,0.00015508,-0.00002 001,0.00016369,0.00005862,-0.00005362,-0.00002692,0.00010482,0.0000702 2,-0.00022360,0.00004161,-0.00061832,0.00004432,-0.00002298,-0.0001119 0,0.00014206,-0.00214456,-0.00959574,0.00662927,0.00104559,-0.00189262 ,0.00223828,-0.00022890,-0.00285177,-0.00110821,0.07747022,0.16234451, -0.21812665,-0.00013843,-0.00036042,0.00002957,0.00037684,0.00083109,- 0.00049297,0.00736812,0.00787559,-0.01141146,-0.00002401,0.00000413,-0 .00012947,-0.00003921,0.00004290,0.00021448,-0.00106951,0.00090747,-0. 00071856,-0.07474916,-0.15677914,0.22794181||-0.00000362,-0.00000069,0 .00000125,0.00000436,-0.00000007,-0.00000068,-0.00000068,-0.00000020,- 0.00000417,0.00000060,-0.00000104,0.00000170,-0.00000337,0.00000422,0. 00000200,0.00000395,-0.00000161,-0.00000523,0.00000046,-0.00000026,0.0 0000040,-0.00000142,0.00000042,0.00000134,-0.00000075,0.00000100,0.000 00230,0.00000012,-0.00000081,-0.00000265,0.00000151,0.00000039,0.00000 150,0.00000089,0.,0.00000056,-0.00000915,0.00000307,-0.00000007,0.0000 0234,0.00000260,0.00000218,0.00000327,-0.00000130,-0.00000077,0.000002 28,-0.00000187,0.00000279,-0.00000013,-0.00000062,0.00000026,0.0000003 2,-0.00000055,0.00000149,0.00000072,-0.00000397,-0.00000185,-0.0000015 7,-0.00000059,0.00000004,0.00000148,0.00000033,-0.00000137,-0.00000034 ,0.00000041,0.00000036,-0.00000126,0.00000114,-0.00000137|||@ SIC AS THE CAWSE OF EWERY THING IS, SIC WILBE THE EFFECT. -- PROVERBS AND REASONS OF THE YEAR 1585 AS REPRINTED IN PAISLEY MAGAZINE 1828. Job cpu time: 0 days 0 hours 9 minutes 21.0 seconds. File lengths (MBytes): RWF= 102 Int= 0 D2E= 0 Chk= 4 Scr= 1 Normal termination of Gaussian 09 at Tue Feb 20 16:44:48 2018.